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  • 2020-2023  (70)
  • 2000-2004  (40,356)
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  • 2022  (72)
  • 2002  (40,356)
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Year
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  • 1
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Physics Letters B 294 (1992), S. 466-478 
    ISSN: 0370-2693
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Physics
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Physics Letters B 317 (1993), S. 474-484 
    ISSN: 0370-2693
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Physics
    Type of Medium: Electronic Resource
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  • 3
    Publication Date: 2022-03-11
    Language: English
    Type: article , doc-type:article
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  • 4
    Publication Date: 2022-03-11
    Language: English
    Type: article , doc-type:article
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  • 5
    Publication Date: 2022-01-25
    Language: English
    Type: annualzib , doc-type:report
    Format: application/pdf
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  • 6
    Publication Date: 2022-02-03
    Language: English
    Type: article , doc-type:article
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  • 7
    Publication Date: 2022-01-25
    Language: English
    Type: annualzib , doc-type:report
    Format: application/pdf
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  • 8
    Publication Date: 2022-03-14
    Description: Im Rahmen ihrer Strategie zur Langzeitarchivierung forscht die Deutsche Kinemathek in einer Kooperation mit dem Zuse-Institut Berlin (ZIB) an der digitalen Langzeitarchivierung von AV-Materialien. Ausgangspunkt des Projektes sind die enormen Dateigrößen und die heterogenen Dateiformate, die einem Werk und einer Fassung zugeordnet werden müssen. Die Verwendung von persistenten Identifikatoren stellt den Lösungsansatz dar.
    Language: German
    Type: reportzib , doc-type:preprint
    Format: application/pdf
    Format: application/pdf
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  • 9
    Publication Date: 2022-03-29
    Description: While graph covering is a fundamental and well-studied problem, this field lacks a broad and unified literature review. The holistic overview of graph covering given in this article attempts to close this gap. The focus lies on a characterization and classification of the different problems discussed in the literature. In addition, notable results and common approaches are also included. Whenever appropriate, this review extends to the corresponding partitioning problems.
    Language: English
    Type: article , doc-type:article
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  • 10
    Publication Date: 2022-03-30
    Description: We present an optimization model which is capable of routing and ordering trains on a microscopic level under a moving block regime. Based on a general timetabling definition (GTTP) that allows the plug in of arbitrarily detailed methods to compute running and headway times, we describe a layered graph approach using velocity expansion, and develop a mixed integer linear programming formulation. Finally, we present promising results for a German corridor scenario with mixed traffic, indicating that applying branch-and-cut to our model is able to solve reasonably sized instances with up to hundred trains to optimality.
    Language: English
    Type: article , doc-type:article
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  • 11
  • 12
  • 13
    Publication Date: 2022-06-13
    Language: English
    Type: conferenceobject , doc-type:conferenceObject
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  • 14
    Publication Date: 2022-06-13
    Language: English
    Type: researchdata , doc-type:ResearchData
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  • 15
    Publication Date: 2022-04-28
    Description: We propose a new mixed integer programming based heuristic for computing new benchmark primal solutions for instances of the PESPlib. The PESPlib is a collection of instances for the Periodic Event Scheduling Problem (PESP), comprising periodic timetabling problems inspired by real-world railway timetabling settings, and attracting several international research teams during the last years. We describe two strategies to merge a set of good periodic timetables. These make use of the instance structure and minimum weight cycle bases, finally leading to restricted mixed integer programming formulations with tighter variable bounds. Implementing this timetable merging approach in a concurrent solver, we improve the objective values of the best known solutions for the smallest and largest PESPlib instances by 1.7 and 4.3 percent, respectively.
    Language: English
    Type: article , doc-type:article
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  • 16
    Publication Date: 2022-04-25
    Description: Die Sicherung und längerfristige Archivierung persönlich relevanter Dokumente und Dateien, in der Fachliteratur als Personal Digital Archiving (PDA) bezeichnet, ist eine für Privatpersonen zunehmend wichtiger werdende Aufgabe. Praktische Anleitungen und weiterführende Hinweise zur Umsetzung dieser Aufgabe gibt die auf unterschiedliche Nutzer:innenperspektiven ausgerichtete Webseite meinDigitalesArchiv.de, die seit 2020 von der nestor-AG PDA bereitgestellt wird. Mit den Informationen dieser Webseite können und sollten Bibliotheken und andere Einrichtungen, die Informationskompetenz vermitteln, Privatpersonen für die Sicherung ihrer persönlichen digitalen Daten sensibilisieren und schulen. Mit der Umsetzung dieser Aufgabe können Öffentliche wie Wissenschaftliche Bibliotheken zur Sicherung auch gesamtgesellschaftlich relevanter Erinnerungsbausteine beitragen.
    Language: German
    Type: article , doc-type:article
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  • 17
    Publication Date: 2022-05-13
    Description: 二次割当問題は線形緩和が弱いことが知られ,強化のため多様な緩和手法が考案されているが,その一つである二重非負値計画緩和( DNN 緩和)及びその解法として近年研究が進んでいるニュートン・ブラケット法を紹介し,それらに基づく分枝限定法の実装及び数値実験結果について報告する.
    Language: Japanese
    Type: reportzib , doc-type:preprint
    Format: application/pdf
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  • 18
    Publication Date: 2022-05-10
    Description: The Periodic Event Scheduling Problem (PESP) is the standard mathematical tool for optimizing periodic timetabling problems in public transport. A solution to PESP consists of three parts: a periodic timetable, a periodic tension, and integer periodic offset values. While the space of periodic tension has received much attention in the past, we explore geometric properties of the other two components, establishing novel connections between periodic timetabling and discrete geometry. Firstly, we study the space of feasible periodic timetables, and decompose it into polytropes, i.e., polytopes that are convex both classically and in the sense of tropical geometry. We then study this decomposition and use it to outline a new heuristic for PESP, based on the tropical neighbourhood of the polytropes. Secondly, we recognize that the space of fractional cycle offsets is in fact a zonotope. We relate its zonotopal tilings back to the hyperrectangle of fractional periodic tensions and to the tropical neighbourhood of the periodic timetable space. To conclude we also use this new understanding to give tight lower bounds on the minimum width of an integral cycle basis.
    Language: English
    Type: reportzib , doc-type:preprint
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  • 19
    Publication Date: 2022-05-24
    Description: Optimizing the transient control of gas networks is a highly challenging task. The corresponding model incorporates the combinatorial complexity of determining the settings for the many active elements as well as the non-linear and non-convex nature of the physical and technical principles of gas transport. In this paper, we present the latest improvements of our ongoing work to solve this problem for real-world, large-scale problem instances: By adjusting our mixed-integer non-linear programming model regarding the gas compression capabilities in the network, we reflect the technical limits of the underlying units more accurately while maintaining a similar overall model size. In addition, we introduce a new algorithmic approach that is based on splitting the complexity of the problem by first finding assignments for discrete variables and then determining the continuous variables as locally optimal solution of the corresponding non-linear program. For the first task, we design multiple different heuristics based on concepts for general time-expanded optimization problems that find solutions by solving a sequence of sub-problems defined on reduced time horizons. To demonstrate the competitiveness of our approach, we test our algorithm on particularly challenging historic demand scenarios. The results show that high-quality solutions are obtained reliably within short solving times, making the algorithm well-suited to be applied at the core of time-critical industrial applications.
    Language: English
    Type: reportzib , doc-type:preprint
    Format: application/pdf
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  • 20
  • 21
  • 22
    Publication Date: 2022-06-13
    Language: English
    Type: article , doc-type:article
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  • 23
    Publication Date: 2022-06-13
    Language: English
    Type: article , doc-type:article
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  • 24
    Publication Date: 2022-06-15
    Language: English
    Type: article , doc-type:article
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  • 25
  • 26
    Publication Date: 2022-08-08
    Description: Public transportation networks are typically operated with a periodic timetable. The periodic event scheduling problem (PESP) is the standard mathematical modeling tool for periodic timetabling. PESP is a computationally very challenging problem: For example, solving the instances of the benchmarking library PESPlib to optimality seems out of reach. Since PESP can be solved in linear time on trees, and the treewidth is a rather small graph parameter in the networks of the PESPlib, it is a natural question to ask whether there are polynomial-time algorithms for input networks of bounded treewidth, or even better, fixed-parameter tractable algorithms. We show that deciding the feasibility of a PESP instance is NP-hard even when the treewidth is 2, the branchwidth is 2, or the carvingwidth is 3. Analogous results hold for the optimization of reduced PESP instances, where the feasibility problem is trivial. Moreover, we show W[1]-hardness of the general feasibility problem with respect to treewidth, which means that we can most likely only accomplish pseudo-polynomial-time algorithms on input networks with bounded tree- or branchwidth. We present two such algorithms based on dynamic programming. We further analyze the parameterized complexity of PESP with bounded cyclomatic number, diameter, or vertex cover number. For event-activity networks with a special—but standard—structure, we give explicit and sharp bounds on the branchwidth in terms of the maximum degree and the carvingwidth of an underlying line network. Finally, we investigate several parameters on the smallest instance of the benchmarking library PESPlib.
    Language: English
    Type: article , doc-type:article
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  • 27
    Publication Date: 2022-08-08
    Description: Cut selection is a subroutine used in all modern mixed-integer linear programming solvers with the goal of selecting a subset of generated cuts that induce optimal solver performance. These solvers have millions of parameter combinations, and so are excellent candidates for parameter tuning. Cut selection scoring rules are usually weighted sums of different measurements, where the weights are parameters. We present a parametric family of mixed-integer linear programs together with infinitely many family-wide valid cuts. Some of these cuts can induce integer optimal solutions directly after being applied, while others fail to do so even if an infinite amount are applied. We show for a specific cut selection rule, that any finite grid search of the parameter space will always miss all parameter values, which select integer optimal inducing cuts in an infinite amount of our problems. We propose a variation on the design of existing graph convolutional neural networks, adapting them to learn cut selection rule parameters. We present a reinforcement learning framework for selecting cuts, and train our design using said framework over MIPLIB 2017. Our framework and design show that adaptive cut selection does substantially improve performance over a diverse set of instances, but that finding a single function describing such a rule is difficult. Code for reproducing all experiments is available at https://github.com/Opt-Mucca/Adaptive-Cutsel-MILP.
    Language: English
    Type: reportzib , doc-type:preprint
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  • 28
    Publication Date: 2022-08-09
    Description: Secure energy transport is considered as highly relevant for the basic infrastructure of nowadays society and economy. To satisfy increasing demands and to handle more diverse transport situations, operators of energy networks regularly expand the capacity of their network by building new network elements, known as the expansion planning problem. A key constraint function in expansion planning problems is a nonlinear and nonconvex potential loss function. In order to improve the algorithmic performance of state-of-the-art MINLP solvers, this paper presents an algebraic description for the convex envelope of this function. Through a thorough computational study, we show that this tighter relaxation tremendously improves the performance of the MINLP solver SCIP on a large test set of practically relevant instances for the expansion planning problem. In particular, the results show that our achievements lead to an improvement of the solver performance for a development version by up to 58%.
    Language: English
    Type: article , doc-type:article
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  • 29
    Publication Date: 2022-08-09
    Description: It is well known as the Kelvin-Helmholtz instability (KHI) that an interface of tangential velocity discontinuity is necessarily unstable, regardless of the velocity difference's strength. However, the KHI is suppressed for shallow water flows if the Froude number, defined by the ratio of the velocity difference to the gravity wave's speed, is sufficiently large. In this investigation, we examine the effect of the depth difference of two fluid layers on the KHI. The depth difference enhances instability. Given the Froude number in the instability range, the growth rate sensitively depends on the depth ratio and increases monotonically with the depth ratio difference from unity. The critical value of the Froude number for stabilization varies with the depth ratio and attains the minimum value √8 for equal depth. This behavior is verified by asymptotic analysis.
    Language: English
    Type: article , doc-type:article
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  • 30
    Publication Date: 2022-08-09
    Language: English
    Type: reportzib , doc-type:preprint
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  • 31
  • 32
    Publication Date: 2022-08-10
    Language: English
    Type: article , doc-type:article
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  • 33
    Publication Date: 2022-09-21
    Description: The European energy system has been through a fundamental transformation since the Paris Agreement to reduce greenhouse gas emissions. The transition involves several energy-generating and consuming sectors emphasizing sector coupling. The increase in the share of renewable energy sources has revealed the need for flexibility in the electri city grid. Thus, holistic planning of pathways towards decarbonized energy systems also involves assessing the gas infrastructure to provide such a flexibility and support for the security of supply. In this paper, we propose a workflow to investigate such optimal energy transition pathways considering sector coupling. This workflow involves an integrated operational analysis of the electricity market, its transmission grid, and the gas grid in high spatio-temporal resolution. In a case study on a pan-European scale between 2020-2050, we show that carbon neutrality can be reached within feasible additional costs and in time. However, the manifestation of the potential pathways strongly depends on political and technological constraints. Sector coupling acts as an enabler of cross-border cooperation to achieve both, decarbonization and security of supply.
    Language: English
    Type: reportzib , doc-type:preprint
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  • 34
    Publication Date: 2022-08-24
    Description: Biological armors derive their mechanical integrity in part from their geometric architectures, often involving tessellations: individual structural elements tiled together to form surface shells. The carapace of boxfish, for example, is comprised of mineralized polygonal plates, called scutes, arranged in a complex geometric pattern and nearly completely encasing the body. In contrast to artificial armors, the boxfish exoskeleton grows with the fish; the relationship between the tessellation and the gross structure of the armor is therefore critical to sustained protection throughout growth. To clarify whether or how the boxfish tessellation is maintained or altered with age, we quantify architectural aspects of the tessellated carapace of the longhorn cowfish Lactoria cornuta through ontogeny (across nearly an order of magnitude in standard length) and in a high-throughput fashion, using high-resolution microCT data and segmentation algorithms to characterize the hundreds of scutes that cover each individual. We show that carapace growth is canalized with little variability across individuals: rather than continually adding scutes to enlarge the carapace surface, the number of scutes is surprisingly constant, with scutes increasing in volume, thickness, and especially width with age. As cowfish and their scutes grow, scutes become comparatively thinner, with the scutes at the edges (weak points in a boxy architecture) being some of the thickest and most reinforced in younger animals and thinning most slowly across ontogeny. In contrast, smaller scutes with more variable curvature were found in the limited areas of more complex topology (e.g. around fin insertions, mouth, and anus). Measurements of Gaussian and mean curvature illustrate that cowfish are essentially tessellated boxes throughout life: predominantly zero curvature surfaces comprised of mostly flat scutes, and with scutes with sharp bends used sparingly to form box edges. Since growth of a curved, tiled surface with a fixed number of tiles would require tile restructuring to accommodate the surface’s changing radius of curvature, our results therefore illustrate a previously unappreciated advantage of the odd boxfish morphology: by having predominantly flat surfaces, it is the box-like body form that in fact permits a relatively straightforward growth system of this tessellated architecture (i.e. where material is added to scute edges). Our characterization of the ontogeny and maintenance of the carapace tessellation provides insights into the potentially conflicting mechanical, geometric and developmental constraints of this species, but also perspectives into natural strategies for constructing mutable tiled architectures.
    Language: English
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  • 35
    Publication Date: 2022-08-29
    Description: The electric conductivity of cardiac tissue determines excitation propagation and is important for quantifying ischemia and scar tissue and for building personalized models. Estimating conductivity distributions from endocardial mapping data is a challenging inverse problem due to the computational complexity of the monodomain equation, which describes the cardiac excitation. For computing a maximum posterior estimate, we investigate different optimization approaches based on adjoint gradient computation: steepest descent, limited memory BFGS, and recursive multilevel trust region methods, which are using mesh hierarchies or heterogeneous model hierarchies. We compare overall performance, asymptotic convergence rate, and pre-asymptotic progress on selected examples in order to assess the benefit of our multifidelity acceleration.
    Language: English
    Type: conferenceobject , doc-type:conferenceObject
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  • 36
    Publication Date: 2022-09-29
    Language: English
    Type: annualzib , doc-type:report
    Format: application/pdf
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  • 37
    Publication Date: 2022-10-14
    Language: English
    Type: article , doc-type:article
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  • 38
    Publication Date: 2022-10-28
    Language: English
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  • 39
    Publication Date: 2022-10-28
    Description: Tai256c is the largest unsolved quadratic assignment problem (QAP) instance in QAPLIB; a 1.48% gap remains between the best known feasible objective value and lower bound of the unknown optimal value. This paper shows that the instance can be converted into a 256 dimensional binary quadratic optimization problem (BQOP) with a single cardinality constraint which requires the sum of the binary variables to be 92.The converted BQOP is much simpler than the original QAP tai256c and it also inherits some of the symmetry properties. However, it is still very difficult to solve. We present an efficient branch and bound method for improving the lower bound effectively. A new lower bound with 1.36% gap is also provided.
    Language: English
    Type: reportzib , doc-type:preprint
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  • 40
    Publication Date: 2022-12-08
    Description: The combination of Monte Carlo methods and deep learning has recently led to efficient algorithms for solving partial differential equations (PDEs) in high dimensions. Related learning problems are often stated as variational formulations based on associated stochastic differential equations (SDEs), which allow the minimization of corresponding losses using gradient-based optimization methods. In respective numerical implementations it is therefore crucial to rely on adequate gradient estimators that exhibit low variance in order to reach convergence accurately and swiftly. In this article, we rigorously investigate corresponding numerical aspects that appear in the context of linear Kolmogorov PDEs. In particular, we systematically compare existing deep learning approaches and provide theoretical explanations for their performances. Subsequently, we suggest novel methods that can be shown to be more robust both theoretically and numerically, leading to substantial performance improvements.
    Language: English
    Type: conferenceobject , doc-type:conferenceObject
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  • 41
    Publication Date: 2022-12-08
    Description: We establish a connection between stochastic optimal control and generative models based on stochastic differential equations (SDEs) such as recently developed diffusion probabilistic models. In particular, we derive a Hamilton-Jacobi-Bellman equation that governs the evolution of the log-densities of the underlying SDE marginals. This perspective allows to transfer methods from optimal control theory to generative modeling. First, we show that the evidence lower bound is a direct consequence of the well-known verification theorem from control theory. Further, we develop a novel diffusion-based method for sampling from unnormalized densities -- a problem frequently occurring in statistics and computational sciences.
    Language: English
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  • 42
    Publication Date: 2022-12-08
    Description: This study investigates the progress made in LP and MILP solver performance during the last two decades by comparing the solver software from the beginning of the millennium with the codes available today. On average, we found out that for solving LP/MILP, computer hardware got about 20 times faster, and the algorithms improved by a factor of about nine for LP and around 50 for MILP, which gives a total speed-up of about 180 and 1,000 times, respectively. However, these numbers have a very high variance and they considerably underestimate the progress made on the algorithmic side: many problem instances can nowadays be solved within seconds, which the old codes are not able to solve within any reasonable time.
    Language: English
    Type: reportzib , doc-type:preprint
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  • 43
    Publication Date: 2022-11-29
    Description: We study two related problems concerning the number of monochromatic cliques in two-colorings of the complete graph that go back to questions of Erdős. Most notably, we improve the 25-year-old upper bounds of Thomason on the Ramsey multiplicity of K4 and K5 and we settle the minimum number of independent sets of size 4 in graphs with clique number at most 4. Motivated by the elusiveness of the symmetric Ramsey multiplicity problem, we also introduce an off-diagonal variant and obtain tight results when counting monochromatic K4 or K5 in only one of the colors and triangles in the other. The extremal constructions for each problem turn out to be blow-ups of a finite graph and were found through search heuristics. They are complemented by lower bounds and stability results established using Flag Algebras, resulting in a fully computer-assisted approach. More broadly, these problems lead us to the study of the region of possible pairs of clique and independent set densities that can be realized as the limit of some sequence of graphs.
    Language: English
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  • 44
    Publication Date: 2022-11-03
    Description: The Periodic Event Scheduling Problem (PESP) is the central mathematical model behind the optimization of periodic timetables in public transport. We apply Benders decomposition to the incidence-based MIP formulation of PESP. The resulting formulation exhibits particularly nice features: The subproblem is a minimum cost network flow problem, and feasibility cuts are equivalent to the well-known cycle inequalities by Odijk. We integrate the Benders approach into a branch-and-cut framework, and assess the performance of this method on instances derived from the benchmarking library PESPlib.
    Language: English
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  • 45
    Publication Date: 2022-11-03
    Description: Periodic timetabling is a central aspect of both the long-term organization and the day-to-day operations of a public transportation system. The Periodic Event Scheduling Problem (PESP), the combinatorial optimization problem that forms the mathematical basis of periodic timetabling, is an extremely hard problem, for which optimal solutions are hardly ever found in practice. The most prominent solving strategies today are based on mixed-integer programming, and there is a concurrent PESP solver employing a wide range of heuristics [Borndörfer et al., 2020]. We present tropical neighborhood search (tns), a novel PESP heuristic. The method is based on the relations between periodic timetabling and tropical geometry [Bortoletto et al., 2022]. We implement tns into the concurrent solver, and test it on instances of the benchmarking library PESPlib. The inclusion of tns turns out to be quite beneficial to the solver: tns is able to escape local optima for the modulo network simplex algorithm, and the overall share of improvement coming from tns is substantial compared to the other methods available in the solver. Finally, we provide better primal bounds for five PESPlib instances.
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  • 46
    Publication Date: 2022-11-03
    Description: OASIcs, Volume 106, ATMOS 2022, Complete Volume
    Language: English
    Type: proceedings , doc-type:Other
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  • 47
  • 48
    Publication Date: 2022-11-24
    Description: Extracting information about dynamical systems from models learned off simulation data has become an increasingly important research topic in the natural and engineering sciences. Modeling the Koopman operator semigroup has played a central role in this context. As the approximation quality of any such model critically depends on the basis set, recent work has focused on deriving data-efficient representations of the Koopman operator in low-rank tensor formats, enabling the use of powerful model classes while avoiding over-fitting. On the other hand, detailed information about the system at hand can be extracted from models for the infinitesimal generator, also called Kolmogorov backward operator for stochastic differential equations. In this work, we present a data-driven method to efficiently approximate the generator using the tensor train (TT) format. The centerpiece of the method is a TT representation of the tensor of generator evaluations at all data sites. We analyze consistency and complexity of the method, present extensions to practically relevant settings, and demonstrate its applicability to benchmark numerical examples.
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  • 49
    Publication Date: 2022-11-24
    Language: English
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  • 50
    Publication Date: 2022-11-24
    Language: English
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  • 51
    Publication Date: 2022-11-24
    Description: Finding connected subgraphs of maximum weight subject to additional constraints on the subgraphs is a common (sub)problem in many applications. In this paper, we study the Maximum Weight Connected Subgraph Problem with a given root node and a lower and upper capacity constraint on the chosen subgraph. In addition, the nodes of the input graph are colored blue and red, and the chosen subgraph is required to be balanced regarding its cumulated blue and red weight. This problem arises as an essential subproblem in district planning applications. We show that the problem is NP-hard and give an integer programming formulation. By exploiting the capacity and balancing condition, we develop a powerful reduction technique that is able to significantly shrink the problem size. In addition, we propose a method to strengthen the LP relaxation of our formulation by identifying conflict pairs, i.e., nodes that cannot be both part of a chosen subgraph. Our computational study confirms the positive impact of the new preprocessing technique and of the proposed conflict cuts.
    Language: English
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  • 52
    Publication Date: 2022-11-27
    Description: We consider autocovariance operators of a stationary stochastic process on a Polish space that is embedded into a reproducing kernel Hilbert space. We investigate how empirical estimates of these operators converge along realizations of the process under various conditions. In particular, we examine ergodic and strongly mixing processes and obtain several asymptotic results as well as finite sample error bounds. We provide applications of our theory in terms of consistency results for kernel PCA with dependent data and the conditional mean embedding of transition probabilities. Finally, we use our approach to examine the nonparametric estimation of Markov transition operators and highlight how our theory can give a consistency analysis for a large family of spectral analysis methods including kernel-based dynamic mode decomposition.
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  • 53
    Publication Date: 2022-11-28
    Description: This work addresses the problem of determining the number of components from sequential spectroscopic data analyzed by non-negative matrix factorization without separability assumption (SepFree NMF). These data are stored in a matrix M of dimension “measured times” versus “measured wavenumbers” and can be decomposed to obtain the spectral fingerprints of the states and their evolution over time. SepFree NMF assumes a memoryless (Markovian) process to underline the dynamics and decomposes M so that M=WH, with W representing the components’ fingerprints and H their kinetics. However, the rank of this decomposition (i.e., the number of physical states in the process) has to be guessed from pre-existing knowledge on the observed process. We propose a measure for determining the number of components with the computation of the minimal memory effect resulting from the decomposition; by quantifying how much the obtained factorization is deviating from the Markovian property, we are able to score factorizations of a different number of components. In this way, we estimate the number of different entities which contribute to the observed system, and we can extract kinetic information without knowing the characteristic spectra of the single components. This manuscript provides the mathematical background as well as an analysis of computer generated and experimental sequentially measured Raman spectra.
    Language: English
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  • 54
    Publication Date: 2022-11-30
    Language: English
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  • 55
    Publication Date: 2022-12-01
    Description: We consider the line planning problem in public transport in the Parametric City, an idealized model that captures typical scenarios by a (small) number of parameters. The Parametric City is rotation symmetric, but optimal line plans are not always symmetric. This raises the question to quantify the symmetry gap between the best symmetric and the overall best solution. For our analysis, we formulate the line planning problem as a mixed integer linear program, that can be solved in polynomial time if the solutions are forced to be symmetric. The symmetry gap is provably small when a specific Parametric City parameter is fixed, and we give an approximation algorithm for line planning in the Parametric City in this case. While the symmetry gap can be arbitrarily large in general, we show that symmetric line plans are a good choice in most practical situations.
    Language: English
    Type: reportzib , doc-type:preprint
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  • 56
    Publication Date: 2022-12-05
    Language: English
    Type: poster , doc-type:Other
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  • 57
    Publication Date: 2022-12-05
    Description: In this paper, we consider the eigenvalue PDE problem of the infinitesimal generators of metastable diffusion processes. We propose a numerical algorithm based on training artificial neural networks for solving the leading eigenvalues and eigenfunctions of such high-dimensional eigenvalue problem. The algorithm is useful in understanding the dynamical behaviors of metastable processes on large timescales. We demonstrate the capability of our algorithm on a high-dimensional model problem, and on the simple molecular system alanine dipeptide.
    Language: English
    Type: article , doc-type:article
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  • 58
    Publication Date: 2022-12-05
    Description: We propose new Markov Chain Monte Carlo algorithms to sample probability distributions on submanifolds, which generalize previous methods by allowing the use of set-valued maps in the proposal step of the MCMC algorithms. The motivation for this generalization is that the numerical solvers used to project proposed moves to the submanifold of interest may find several solutions. We show that the new algorithms indeed sample the target probability measure correctly, thanks to some carefully enforced reversibility property. We demonstrate the interest of the new MCMC algorithms on illustrative numerical examples.
    Language: English
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  • 59
    Publication Date: 2022-12-06
    Description: As a result of the legislation for gas markets introduced by the European Union in 2005, separate independent companies have to conduct the transport and trading of natural gas. The current gas market of Germany, which has a market value of more than 54 billion USD, consists of Transmission System Operators (TSO), network users, and traders. Traders can nominate a certain amount of gas anytime and anywhere in the network. Such unrestricted access for the traders, on the other hand, increase the uncertainty in the gas supply management. Some customers’ behaviors may cause abrupt structural changes in gas flow time series. In particular, it is a challenging task for the TSO operators to predict gas nominations 6 to 10 h-ahead. In our study, we aim to investigate the regime changes in time series of nominations to predict the 6 to 10 h-ahead of gas nominations.
    Language: English
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  • 60
  • 61
    Publication Date: 2022-12-09
    Description: Der Kooperative Bibliotheksverbund Berlin-Brandenburg wird heute 25 Jahre alt. Seit dem 1. April 1997 entwickelt der KOBV neue Dienstleistungen für Nutzende und Bibliotheken, baut Informationsinfrastrukturen in Berlin und Brandenburg aus, vernetzt Bibliotheken aus der Region und informiert über aktuelle Themen. Im Sondernewsletter geben uns aktuelle und ehemalige KOBV-Mitarbeitende/Mitglieder Antworten auf Fragen zur Entstehung und Weiterentwicklung des Verbundes. Lesen und feiern Sie mit uns zusammen!
    Language: German
    Type: other , doc-type:Other
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  • 62
    Publication Date: 2022-12-09
    Description: Mit DeepGreen wurde eine Infrastruktur aufgebaut und etabliert, die Zeitschriftenartikel von wissenschaftlichen Verlagen abholt und berechtigten Bibliotheken zur Veröffentlichung in ihren Repositorien sendet. DeepGreen unterstützt Bibliotheken als Dienstleister für Hochschulen, außeruniversitäre Einrichtungen und die dort tätigen Wissenschaftler*innen, Publikationen auf Open-Access-Repositorien frei zugänglich zu machen und fördert das Zusammenspiel von wissenschaftlichen Einrichtungen und Verlagen. DeepGreen wurde von Januar 2016 bis Juni 2021 von der Deutschen Forschungsgemeinschaft gefördert und wird nun vom Kooperativen Bibliotheksverbund Berlin-Brandenburg, von der Bayerischen Staatsbibliothek und von der Universitätsbibliothek Erlangen-Nürnberg in arbeitsteiliger Eigenleistung für zwei Jahre weiterbetrieben. Der vorliegende Beitrag beleuchtet vielfältige Aspekte bei der Realisierung von DeepGreen und geht auf die Perspektiven dieser zentralen Open-Access-Infrastruktur für deutsche Wissenschaftseinrichtungen ein.
    Language: German
    Type: article , doc-type:article
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  • 63
    Publication Date: 2022-12-09
    Description: DeepGreen wurde vom 01.08.2018 bis zum 30.06.2021 in einer zweiten Projektphase von der Deutschen Forschungsgemeinschaft (DFG) gefördert. DeepGreen unterstützt Bibliotheken als Dienstleister für Hochschulen, außeruniversitäre Forschungseinrichtungen und die dort tätigen Wissenschaftler:innen dabei, Publikationen auf Open-Access-Repositorien frei zugänglich zu machen und fördert das Zusammenspiel von wissenschaftlichen Einrichtungen und Verlagen. An der zweiten Projektphase waren der Kooperative Bibliotheksverbund Berlin-Brandenburg, die Bayerische Staatsbibliothek, der Bibliotheksverbund Bayern, die Universitätsbibliotheken der Friedrich-Alexander-Universität Erlangen-Nürnberg und der Technischen Universität Berlin und das Helmholtz Open Science Office beteiligt. In dem Projekt wurde erfolgreich eine technische und organisatorische Lösung zur automatisierten Verteilung von Artikeldaten wissenschaftlicher Verlage an institutionelle und fachliche Repositorien entwickelt. In der zweiten Projektphase lag der Fokus auf der Erprobung der Datendrehscheibe in der Praxis und der Ausweitung auf weitere Datenabnehmer und weitere Verlage. Im Anschluss an die DFG-geförderte Projektlaufzeit ist DeepGreen in einen zweijährigen Pilotbetrieb übergegangen. Ziel des Pilotbetriebs ist es, den Übergang in einen bundesweiten Real-Betrieb vorzubereiten.
    Language: German
    Type: reportzib , doc-type:preprint
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  • 64
    Publication Date: 2022-12-16
    Description: During the apparition of comet 67P/Churyumov-Gerasimenko (67P/C-G) solar irradiation causes varying rates for sublimation of volatile species from the cometary nucleus. Because sublimation processes take place close to the cometary surface, the relative abundance of volatiles in the coma and the ice composition are related to each other. To quantify this relation we assume a model for the expansion of a collisionless gas from the surface into the surrounding space. We use an inverse model approach to relate the in situ measurements of gas densities from the two Rosetta instruments COPS (COmet Pressure Sensor) and DFMS (Double Focusing Mass Spectrometer) at the positions of the spacecraft to the locations of surface gas emissions during the Rosetta mission 2014-2016. We assume the temporally integrated gas emissions to be representative for the ice composition close to the surface. Our analysis shows characteristic differences in the ice compositions between both hemispheres of 67P/C-G. In particular CO2 ice has a reduced abundance on the northern hemisphere. In contrast to the hemispherical differences, the two lobes do not show significant differences in terms of their ice composition.
    Language: English
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  • 65
    Publication Date: 2022-12-16
    Description: The Rosetta mission to comet 67P/C-G provided a detailed view of the near nucleus environment of an active Jupiter family comet. The continuous monitoring of the gas pressure with the ROSINA experiment at the location of the Rosetta spacecraft in combination with the images of the dust environment acquired by the OSIRIS cameras allows one to test different hypotheses about the origin of the dust and gas emissions. In addition the orbital elements and the rotation axis and spin rate of the nucleus are affected by the gas release.
    Language: English
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  • 66
    Publication Date: 2022-12-16
    Description: The Moon as our nearest celestial object is one of the most important bodies for space resource exploration and planetary science. However, knowledge of the physical properties of the lunar regolith is required for the exploitation of lunar resources and for understanding the Moon's geologic history. This knowledge comes mainly from Apollo in-situ experiments and returned samples, but the global distribution of these properties is still poorly understood. Remote sensing measurements offer the opportunity to derive properties of unsampled areas with the help of models. In our study, a microphysical thermal model for the lunar regolith was developed and the simulated surface temperatures were compared with thermal emission measurements from the Diviner radiometer on board the Lunar Reconnaissance Orbiter (LRO) to derive regolith properties. This work expands upon previous investigations of lunar regolith properties using Diviner data, by more directly simulating physical properties such as particle size and porosity.
    Language: English
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  • 67
    Publication Date: 2022-12-14
    Description: Recently developed Concentric Tube Continuum Robots (CTCRs) are widely exploited in, for example in minimally invasive surgeries which involve navigating inside narrow body cavities close to sensitive regions. These CTCRs can be controlled by extending and rotating the tubes in order to reach a target point or perform some task. The robot must deviate as little as possible from this narrow space and avoid damaging neighbouring tissue. We consider \emph{open-loop} optimal control of CTCRs parameterized over pseudo-time, primarily aiming at minimizing the robot's working volume during its motion. External loads acting on the system like tip loads or contact with tissues are not considered here. We also discussed the inclusion of tip's orientation in the optimal framework to perform some tasks. We recall a quaternion-based formulation of the robot configuration, discuss discretization, develop optimization objectives addressing different criteria, and investigate their impact on robot path planning for several numerical examples. This optimal framework can be applied to any backbone based continuum robots.
    Language: English
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  • 68
    Publication Date: 2022-12-13
    Description: Image segmentation is an active area of research for more than 30 years. Traditional image segmentation algorithms are problem-specific and limited in scope. On the other hand, machine learning offers an alternative paradigm where predefined features are combined into different classifiers, providing pixel-level classification and segmentation. However, machine learning only can not address the question as to which features are appropriate for a certain classification problem. This paper presents a project supported in part by the International Neuroinformatics Coordination Facility through the Google Summer of code. The project resulted in an automated image segmentation and classification platform, called Active Segmentation for ImageJ (AS/IJ). The platform integrates a set of filters computing differential geometrical invariants and combines them with machine learning approaches.
    Language: English
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  • 69
    Publication Date: 2022-12-20
    Language: English
    Type: article , doc-type:article
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  • 70
    Publication Date: 2022-12-20
    Description: While energy-intensive industries like the steel industry plan to switch to renewable energy sources, other industries, such as the cement industry, have to rely on carbon capture storage and utilization technologies to reduce the inevitable carbon dioxide (CO2) emissions of their production processes. In this context, we investigate the problem of finding optimal pipeline diameters from a discrete set of diameters for a tree-shaped network transporting captured CO2 from multiple sources to a single sink. The general problem of optimizing arc capacities in potential-based fluid networks is a challenging mixed-integer nonlinear program. Additionally, the behaviour of CO2 is highly sensitive and nonlinear regarding temperature and pressure changes. We propose an iterative algorithm splitting the problem into two parts: a) the pipe-sizing problem under a fixed supply scenario and temperature distribution and b) the thermophysical modelling including mixing effects, the Joule-Thomson effect, and heat exchange with the surrounding environment. We show the effectiveness of our approach by applying our algorithm to a real-world network planning problem for a CO2 network in Western Germany.
    Language: English
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  • 71
    Publication Date: 2022-12-21
    Language: English
    Type: article , doc-type:article
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  • 72
    Publication Date: 2022-12-19
    Description: Agent-based epidemiological models have been applied widely successfully during the SARS-CoV-2 pandemic and assisted policymakers in assessing the effectiveness of intervention strategies. The computational complexity of agent-based models is still challenging, and therefore it is important to utilize modern multi-core systems as good as possible. In this paper, we are presenting our work on parallelizing the epidemiological simulation model MATSim Episim. Episim combines a large-scale person-centric human mobility model with a mechanistic model of infection and a person-centric disease progression model. In general, the parallelization of agent-based models with an inherent sequential structure — in the case of epidemiological models, the temporal order of the individual movements of the agents — is challenging. Especially when the underlying social network is irregular and dynamic, they require frequent communication between the processing elements. In Episim, however, we were able to take advantage of the fact that people are not contagious on the same day they become infected, and therefore immediate health synchronization is not required. By parallelizing some of the most computationally intensive submodels, we are now able to run MATSim Episim simulations up to eight times faster than the serial version. This makes it feasible to increase the number of agents, e.g. to run simulations for the whole of Germany instead of just Berlin as before.
    Language: English
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  • 73
    Book
    Book
    Wien [u.a.] :Springer, ; 1.1977 - 16.2003; damit Ersch. eingest.
    Title: Computing : archives for informatics and numerical computation; Supplementum
    Publisher: Wien [u.a.] :Springer,
    Year of publication: 1977-2003
    Dates of Publication: 1.1977 - 16.2003; damit Ersch. eingest.
    Type of Medium: Book
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  • 74
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 5840-5852 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: In this study, micro-Raman spectroscopy has been used to investigate the vibrational properties of laterally epitaxial overgrown (LEO) GaN. The LEO GaN films were grown by metal organic chemical vapor deposition on a 2 in. sapphire substrate with SiN mask. Photoluminescence and polarized Raman scattering measurements have been performed in the two regions of GaN growth (wing and window regions). Raman scattering results are consistent with the lateral growth of GaN in the overgrown region. We have observed second-order Raman scattering in the wing and window regions of GaN. The observations of longitudinal optical phonon plasmon modes in the overgrown region demonstrate that LEO GaN is doped. We have carried out micro-Raman mapping of the local strain and free carrier concentration in the LEO GaN. Anharmonicity due to temperature in LEO GaN has also been investigated. The anharmonicity was found to increase with increasing temperature, and such temperature-induced anharmonicity introduces changes in the linewidth and line center position of the Raman active phonons. The phonon lifetimes in GaN are estimated in the LEO region as well as in the coherently grown region (window region). © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 75
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 5853-5857 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Microstructural observations of gallium arsenide single crystals irradiated with a few tens of MeV C60 incident clusters (fullerenes) were performed. Normal and grazing incidences were investigated. Similar to in the case of silicon and germanium, cylindrical amorphous tracks whose diameters vary as a function of the projectile energy were found. However, for a given energy of the clusters, the track diameters are slightly different from one material to another. Also depending on the fullerene, energy is the length of the amorphous cylinder that formed along the projectile's path. The recrystallization process under an electron beam during transmission electron microscopy observation was analyzed and a higher growth rate for gallium arsenide compared to that of germanium was seen. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 76
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 5858-5866 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: This article presents an analysis of the response of silicon carbide to high velocity impact. This includes a wide range of loading conditions that produce large strains, high strain rates, and high pressures. Experimental data from the literature are used to determine constants for the Johnson–Holmquist constitutive model for brittle materials (JH-1). It is possible to directly determine the strength and pressure response of the intact material from test data in the literature. After the ceramic has failed, however, there are not adequate experimental data to directly determine the response of the failed material. Instead, the response is inferred from a comparison of computational results to ballistic penetration test results. After the constants have been obtained for the JH-1 model, a wide range of computational results are compared to experimental data in the literature. Generally, the computational results are in good agreement with the experimental results. Included are computational results that model interface defeat, which occurs when a high velocity projectile impacts a ceramic target and then dwells on the surface of the ceramic with no significant penetration. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 77
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 5867-5874 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The influence of ion-beam-produced lattice defects as well as H, B, C, N, O, and Si, introduced by ion implantation, on the luminescence properties of wurtzite GaN is studied by cathodoluminescence spectroscopy. Results indicate that intrinsic lattice defects produced by ion bombardment mainly act as nonradiative recombination centers and do not give rise to the yellow luminescence (YL) of GaN. Experimental data unequivocally shows that C is involved in the defect-impurity complex responsible for YL. In addition, C-related complexes appear to act as efficient nonradiative recombination centers. Implantation of H produces a broad luminescent peak which is slightly blueshifted with respect to the C-related YL band in the case of high excitation densities. The position of this H-related YL peak exhibits a blueshift with increasing excitation density. Based on this experimental data and results reported previously, the chemical origin of the YL band is discussed. © 2002 American Institute of Physics.
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  • 78
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 5875-5881 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: InGaAs strained quantum well (SQW) samples with lattice matched InGaAsP quaternary barriers are grown on GaAs substrates by metalorganic vapor phase epitaxy. These SQW samples are characterized using photoluminescence, photomodulated reflectance, surface photovoltage spectroscopy and high-resolution x-ray diffraction techniques. The results based on numerical calculations are used to identify the various transitions seen in the spectra. The effect of growth temperature on the indium content of the InGaAs SQW with lattice matched InGaAsP quaternary barriers is studied. Contrary to the reported higher value of indium incorporation in InGaAs SQW with GaAs (In-free) barriers when the growth is performed at low temperatures, we find that the indium content of the InGaAs SQW with InGaAsP (In-based) quaternary barriers decreases if the SQW is grown at lower growth temperatures. A possible explanation for this behavior is provided. © 2002 American Institute of Physics.
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  • 79
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 5882-5886 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: B1–NaCl-structure CrN(001) layers were grown on MgO(001) at 600 °C by ultrahigh vacuum reactive magnetron sputter deposition in pure N2 discharges. X-ray diffraction analyses establish the epitaxial relationship as cube-on-cube, (001)CrN(parallel)(001)MgO with [100]CrN(parallel)[100]MgO, while temperature-dependent measurements show that the previously reported phase transition to the orthorhombic Pnma structure is, due to epitaxial constraints, absent in our layers. The resistivity increases with decreasing temperature, from 0.028 Ω cm at 400 K to 271 Ω cm at 20 K, indicating semiconducting behavior with hopping conduction. Optical absorption is low (α〈2×104 cm−1) for photon energies below 0.7 eV and increases steeply at higher energies. In situ ultraviolet photoelectron spectra indicate that the density of states vanishes at the Fermi level. The overall results provide evidence for CrN exhibiting a Mott–Hubbard type band gap. © 2002 American Institute of Physics.
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  • 80
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 5887-5891 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We present a simple model for quantum well photodetectors for simultaneous middle infrared and near infrared or visible dual-band detection. We derive analytical formulas for the responsivity and detectivity as functions of the material and structural parameters. It is shown that the characteristics of near infrared and visible radiation detection can be sensitive to parameters of the hole transport, capture into quantum wells, and reflection from the electron emitting contact. We demonstrate that a properly designed photodetector can exhibit comparable performance for both middle infrared and near infrared (or visible) detection. The obtained results can be used to optimize the photodetector design and characteristics in both spectral ranges. © 2002 American Institute of Physics.
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  • 81
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 5892-5895 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We investigated through ab initio total energy calculations the interaction of arsenic impurities with the core of a 30° partial dislocation in silicon. It was found that when an arsenic atom sits in a crystalline position near the dislocation core, there is charge transfer from the arsenic towards the dislocation core. As a result, the arsenic becomes positively charged and the core negatively charged. The results indicate that the structural changes around the impurity are very small in both environments, namely, the crystal and the dislocation core. In this scenario, the interaction between arsenic and the core is essentially electrostatic, which eventually leads to arsenic segregation. The segregation energy was found to be as large as 0.5 eV/atom. Additionally, it was found that arsenic pairing inside the core is not energetically favorable. © 2002 American Institute of Physics.
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  • 82
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 5896-5901 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We report on inelastic electron tunneling spectroscopy of a tunneling metal–oxide–semiconductor (MOS) device over an extended energy range compared to previous results. We have clearly observed the vibrations of the hydrogen-passivated (111)Si Pb center in this extended energy range. The assignment of this mode has been confirmed by a comparison with infrared experiments. Capabilities and limitations of the technique to detect and observe molecular vibrations in tunneling MOS devices are discussed. © 2002 American Institute of Physics.
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  • 83
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 5902-5908 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We report on the effect of rapid thermal annealing (RTA) on the photoluminescence (PL) properties of GaNxAs1−x/GaAs structures. In particular, a blueshift of the PL peak energy is observed when annealing the samples. The results are examined as a consequence of a RTA-induced nitrogen diffusion inside the GaNxAs1−x material rather than diffusion out of the alloy, which homogenizes initial nitrogen composition fluctuations. We propose a simple model that describes the RTA-induced blueshift of the low temperature PL peak energy. This model is in good agreement with experimental results and is consistent with recent studies in which lateral composition fluctuations in the GaNAs alloy were reported. © 2002 American Institute of Physics.
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  • 84
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 5909-5914 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: A quadratic dependence of the band gap energy on the alloy composition x was quantified for CuAl(SxSe1−x)2 films grown by low-pressure metalorganic vapor phase epitaxy, by means of photoreflectance and photoluminescence excitation spectroscopies. The bowing parameter for the A-exciton energy was estimated to be 0.20 eV. Several high-quality films grown on GaAs(001) substrates exhibited excitonic photoluminescence peaks in the blue to ultraviolet spectral ranges. The flow rate of the Al precursor was found to affect the incorporation ratio of S/Se, indicating that the Al–S compound plays a key role in controlling x. All films grown on GaAs(001) showed c(001) orientation. Conversely, the epitaxitial orientation of the films on GaP(001) changed from a(100) to c(001) with an increase in x. The critical value of x was around 0.5. The preferred orientations were explained by the natural selection rule under which the lattice strain in the epilayer is minimized. The residual strain in the 0.5-μm-thick epilayers on GaAs(001) was nearly constant for all x, although the lattice mismatch between the epilayer and the GaAs substrate varied from 0.62% to 5.39% with an increase in x. Consequently the strain was attributed to thermal stress. © 2002 American Institute of Physics.
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  • 85
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 3556-3561 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The design and manufacture of diode lasers for gas analysis or multilayer thin-film optical devices used at low-temperature require the refractive index and the temperature coefficient of IV–VI compound over a significant temperature range. In this article, the refractive index and the absorption coefficient of Pb0.94Ge0.06Te thin film have been determined from transmission spectra measured at temperature between 80 and 300 K in the spectral range of 2.5–8.5 μm by fitting based on a Lorentz-oscillator model. It is found that the maximum refractive index occurs at 150 K, which corresponds to the structural phase transition from rocksalt to rhombohedrally distorted structure and reflects an increase of lattice polarizability. The value of the index of refraction is 5.350–6.000 in the spectral range of 4.0–8.5 μm for all measured temperatures, which reveals that Pb1−xGexTe is a highly refractive infrared material. The temperature coefficient of refractive index, dn/dT, is found to be −0.006–0.002 K−1 in the spectral range of 3.0–8.5 μm for all measured temperature. An empirical formula that fits the temperature coefficient in the spectral range of 4.0-8.5 μm is presented. The dependence of the transmission and absorption spectra on decreasing temperature can be explained by the modification of the energy-band structure due to rhombohedral distortions. The conclusion can be drawn that anomalies corresponding to the ferroelectric phase transition occur in both refractive index and absorption coefficient of Pb1−xGexTe alloy. © 2002 American Institute of Physics.
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  • 86
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 3569-3578 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: This article uses molecular dynamics simulation to investigate the role of Ar ions in the ion physical vapor deposition (IPVD) process for different Ar+-to-Cu+ ratios, and to analyze the influence of different Ar+-to-Cu+ ratios on the trench filling morphology. Also compared are the trench filling morphology observed for the IPVD process with that found in the conventional collimated magnetron deposition process. The molecular dynamics simulation includes a trench model and a deposition model, and uses the many-body, tight-binding potential method to represent the interatomic force acting among neutral atoms. The interatomic force acting between the ions and the neutral atoms is modeled by the pairwise Moliere potential method. The simulation indicates that the incident Ar ions influence the trench filling mechanisms in two significant ways; peeling of the cluster atoms, which promotes migration of the cluster atoms along the sidewall, and breaking of the bridge which forms when two clusters of atoms join. Both phenomena are beneficial since they promote a more complete filling of the trench. © 2002 American Institute of Physics.
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  • 87
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 3750-3758 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: FeCoV/TiNx and FeCoV/Ti multilayers having tFeCoV=30–700 Å prepared by dc magnetron sputtering are investigated by x-ray diffraction, stress, and magnetization measurements. The x-ray diffraction data of the FeCoV/TiNx system show the presence of interstitial N atoms in the FeCoV layers due to reactive sputtering of Ti with nitrogen. The interstitial N causes an expansion of the FeCoV lattice in FeCoV/TiNx for small tFeCoV. However, for the samples with large tFeCoV, no lattice expansion is observed. In addition to the lattice expansion caused by the intake of N atoms, a change in the crystalline texture of FeCoV layers is also observed as indicated by the enhancement of the FeCoV(200) peaks. The magnetic hysteresis measurements on the samples show that the easy direction of magnetization lies in the plane of the layers. They further show that there are easy and hard axes of magnetization within the plane of the FeCoV layers. The stress anisotropy present in the plane of the samples induces a magnetic anisotropy through magnetostrictive effects leading to the formation of the in- plane easy axis. The hysteresis and stress measurements carried out on these samples clearly show the influence of N on the in-plane magnetic anisotropy. The magnetoelastic energy in the case of the FeCoV/TiNx system, calculated from the stress data and from the magnetization measurements as a function of tFeCoV is found to agree over a large range of thickness, whereas the curves deviate significantly for small layer thickness. This deviation may be due to the role of the FeCoVNx phase. Hysteresis measurements also show that the remanence is about 95% for all the samples of the FeCoV/TiNx system. In contrast, the coercivity increases linearly with increasing tFeCoV in this system. The coercivity of the FeCoV/Ti system is larger and increases more rapidly with tFeCoV, as compared with the FeCoV/TiNx system. This behavior is attributed to a smaller grain size in the FeCoV/TiNx system due to the reactive sputtering of the Ti layers. However, there is no significant influence of N on the saturation magnetization of both systems. © 2002 American Institute of Physics.
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  • 88
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 3764-3768 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The amorphous alloys Nd40Fe40Co5Al8B7, Nd57Fe20Co5Al10B8, and Nd57Fe20Cu5Al10B8 were prepared by copper mold casting, melt spinning, and mechanical alloying. Despite their similar x-ray diffraction patterns, samples display different magnetic and thermal behavior correlated with the method of preparation. The fully amorphous melt-spun ribbons exhibit relatively soft magnetic properties with coercivities (approximate)40 kA/m at room temperature and a Curie temperature (TC)(approximate)474 K. Apparently only the mold-cast cylinders of 3 mm diameter show hard magnetic behavior with a coercivity in the range of 258–270 kA/m (depending on composition) and have approximately the same TC as that of the melt-spun ribbons. An additional magnetic transition at 585 K due to the presence of Nd2Fe14B phase in the case of Nd40Fe40Co5Al8B7 cast rod has been observed. Heat treatment above crystallization temperature in as-cast Nd57Fe20Co5Al10B8 and Nd57Fe20Cu5Al10B8 samples destroys the hard magnetic properties. In contrast, mechanically alloyed amorphous samples are soft magnetic with maximum coercivity up to 11 kA/m but show an entirely different TC(approximate)680–740 K, which is rather characteristic of an Fe solid solution. The magnetic properties are discussed in terms of different local atomic environment and cluster sizes in amorphous samples prepared by different methods. © 2002 American Institute of Physics.
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  • 89
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 3769-3774 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The phase evolution, microstructure, and magnetic properties of Nd8Fe86B6−xCx (x=0, 2, 4, 5, 6) melt-spun ribbons were systematically studied as a function of C content. It was found that the addition of C decreases the glass-forming tendency of the as-spun ribbons significantly. A uniform nanoscale exchange coupled Nd2Fe14(BC)/α-Fe microstructure with an average grain size of 20–25 nm can be developed in the directly quenched ribbons with C contents up to 4 at. %. Further increase of C content to x=5 leads to, in the optimally quenched ribbons, the presence of an undesirable Nd2Fe17Cx phase in addition to the 2:14:1 and α-Fe phases, whereas the alloy ribbon containing 6 at. % C consists almost entirely of the soft magnetic Nd2Fe17Cx and α-Fe phases. Subsequent annealing induces a transformation of the 2:17:Cx phase to the 2:14:1 phase +α-Fe in the ribbons with x=5 and 6, resulting in the formation of a composite 2:14:1/α-Fe structure having relatively large crystallite sizes. Magnetic measurements revealed that, for the optimally processed samples, replacement of up to 4 at. % of B by C significantly increases the coercivity iHc, with only slight reduction in remanence Jr; an optimum coercivity of 542 kA/m was obtained in the Nd8Fe86B2C4 ribbon compared with 430 kA/m for the Nd8Fe86B6 ribbon. Excessive substitution of C (x〉4) causes a drastic deterioration of both iHc and Jr due to the microstructural coarsening. Moreover, the Curie temperature of the 2:14:1 phase in the samples decreases progressively with increasing C content from 312 °C for x=0 to 270 °C for x=6. © 2002 American Institute of Physics.
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  • 90
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 3797-3805 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Domain structures of unpoled as well as poled (along [001]- and [110]-direction) Pb(Zn1/3Nb2/3)O3 (PZN)-8% PbTiO3 (PT) and Pb(Mg1/3Nb2/3)O3 (PMN)-29% PT single crystals have been investigated by scanning force microscopy (SFM) in the piezoresponse mode, at room temperature. Antiparallel domain structures have been detected mostly in unpoled crystals of both materials, with a fingerprint pattern in (001)-oriented PZN-8% PT crystal. The ferroelastic domain wall has been identified in poled (110)-oriented PZN-8% PT crystal. "Writing" of ferroelectric domains has been performed by applying a dc voltage to the SFM tip. Local re-poling has been observed for all unpoled as well as for poled (001)-oriented crystals at the voltage ±60 V. Local electrical switching was successful in poled (110)-oriented PMN-29% PT at higher voltage (±120 V) but was not successful in poled (110)-oriented PZN-8% PT crystal. Domain-engineered crystals poled in [110]-direction seem to exhibit more stable (in the sense of local re-poling properties) domain arrangement. Hysteretic d(E) dependencies were observed by local application of an ac voltage. © 2002 American Institute of Physics.
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  • 91
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 3785-3796 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: In the study of elastic and piezoelectric fields in semiconductors due to buried quantum dots (QDs), the semicoupled piezoelectric model is commonly adopted. However, its accuracy and suitability have never been studied. In this article, by developing a fully coupled piezoelectric model and deriving the analytical elastic and piezoelectric fields based on this and the semicoupled models, we are able to verify that when the piezoelectric coupling is weak, like GaAs with the electromechanical coupling factor g=0.04, the semicoupled model predicts very accurate results as compared to those based on the fully coupled model. However, if the piezoelectric coupling is relatively strong, like AlN with g=0.32, we have shown that the semicoupled model gives very serious errors or even totally wrong results. Applying these two models to a uniformly strained AlN layer grown along the polar axis has also confirmed our observation. Therefore, for semiconductors like AlN, the fully coupled model presented in this article must be employed in order to give a reliable and accurate prediction for the elastic and piezoelectric fields. Also presented in this article is the distribution of the piezoelectric field on the surface of a half-space GaAs due to a buried QD located at 2 nm below the surface with a volume 4π/3 (nm)3. It is observed that the horizontal electric field on the traction-free and insulating surface shows some special features and its maximum magnitude can be as high as 3.5×107 V/m when the uniform mismatch eigenstrain is 0.07. Furthermore, the piezoelectric field on the traction-free and conducting surface exhibits different characters as compared to the traction-free and insulating case. © 2002 American Institute of Physics.
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  • 92
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 3829-3840 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Optically thin palladium metal films evaporated on different silicon based substrates are investigated following exposure to different concentrations of hydrogen gas in air. Laser modulated reflectance off the palladium surface of silicon oxide and silicon nitride substrates is used to recover information regarding the reflectivity inversion and α/β-phases of the palladium complex after both first and multiple gas cycling. Atomic force microscopy confirms the formation of metal nanostructures following exposure to hydrogen of the optically thin palladium films. © 2002 American Institute of Physics.
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  • 93
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 3847-3854 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: A detailed systematic study on the growth morphology of carbon nanotubes (CNTs) on Si in atmospheric pressure thermal chemical vapor deposition was undertaken. The role of NH3 for vertical alignment of CNTs was investigated. The direct cause for the alignment was a dense distribution of the catalytic metal particles, but that the particles are maintained catalytically active under amorphous carbon deposits was established by NH3. It allows a dense nucleation of the CNTs, and consequently, assists vertical alignment through entanglement and mechanical leaning among the tubes. The CNTs grew in a base growth mode. Since Ni is consumed both by silicide reaction and by capture into the growing tube, the growth stops when Ni is totally depleted. It occurs earlier for smaller particles, and thus a long time of growth results in a thin bottom with poor adhesion. © 2002 American Institute of Physics.
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  • 94
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 3864-3868 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Pt/Ti/WSi/Ni ohmic contacts to n-SiC, initially annealed at 950 and 1000 °C for 30 s, were evaluated for thermal stability via pulsed/cyclic thermal fatigue and aging experiments at 650 °C. Modifications of material properties in response to cyclic thermal fatigue and aging tests were quantitatively assessed via current–voltage measurements, field emission scanning microscopy, atomic force microscopy, and Rutherford backscattering spectrometry. Negligible changes in the electrical properties, microstructure, and surface morphology/roughness were observed for both annealed ohmic contacts in response to 100 cycles of acute cyclic thermal fatigue. Aging of the 950 °C annealed contact for 75 h at 650 °C resulted in electrical failure and chemical interdiffusion/reaction between the contact and SiC substrate. The 1000 °C annealed contact retained ohmicity after 100 h of aging and was found to be chemically and microstructurally stable. These findings indicate that the 1000 °C annealed Pt/Ti/WSi/Ni ohmic contact to n-SiC is thermally stable and merits strong potential for utilization in high temperature and pulsed power devices. © 2002 American Institute of Physics.
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  • 95
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 4983-4987 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Transmission electron microscopy and x-ray diffraction measurements reveal the presence of stacking faults (SFs) in undoped cubic GaN thin layers. We demonstrate the importance of the defects in the interfacial region of the films by showing that the SFs act as nucleation sites for precipitates of residual impurities such as C and Si present in the GaN layers grown on SiC(001) substrates. We used the imaging secondary ion mass spectroscopy technique to locate these impurities. The systematic decrease of the SF density as a function of the layer thickness is explained by an annihilation mechanism. Finally, the effects of usual dopants on the structural properties of GaN layers are discussed. It is shown that Mg has a tendency to incorporate out of the Ga site by forming Mg precipitates for a concentration higher than 1019 cm−3 in contrast with the results found for heavily Si doped layers. © 2002 American Institute of Physics.
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  • 96
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 5016-5023 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Results of thermally stimulated photoluminescence (TSL) measurements in poly(2,5-dioctoxy p-phenylene vinylene) (DOO–PPV) are reported. The obtained results are analyzed in terms of the hopping model of TSL in disordered organic materials. It is shown that the experimentally obtained TSL curve can be fitted on the basis of a double-peak Gaussian density-of-states distribution. The upper peak is associated with intrinsic localized states while the lower one can be ascribed to aggregates. The latter assignment is also supported by measurements of steady-state and time-resolved photoluminescence in DOO–PPV films and solutions. Possible mechanisms of charge carrier photogeneration in DOO–PPV are discussed. © 2002 American Institute of Physics.
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  • 97
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 5029-5034 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: A theoretical analysis based on a perturbation method is used to elucidate the results of attenuated total reflection (ATR) measurements performed on silicon oxide layers of different thicknesses on silicon substrates. This analysis shows that the absorbance ATR spectrum in p polarization is the image of the layer energy loss function, under specific conditions. It is pointed out that the enhanced sensitivity of ATR is controlled by the air gap thickness, the optical properties of the media involved, and the probing light polarization. An exact ATR spectrum simulation using a matrix formalism showed that straightforward interpretation in terms of the layer dielectric function is limited to a very narrow layer thickness range. The ATR spectrum fitting process is considered for layers out of this range and evaluated for the interpretation of experimental silicon oxide layer spectra. © 2002 American Institute of Physics.
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  • 98
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 5041-5044 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The effect of Nb codoping on the optical properties of the PbWO4:Mo scintillator is investigated by radio- and thermoluminescence, scintillation decay, and light yield measurements. Steady-state radioluminescence efficiency of PbWO4:Mo,Nb with optimized doping concentrations (2750 and 350 molar ppm, respectively) becomes up to 20 times higher with respect to that of undoped PbWO4 and is comparable to that of Bi3Ge4O12. However, slow components down to several tens of microseconds appear in the time decay. Their existence may be related to the presence of traps monitored by thermoluminescence. © 2002 American Institute of Physics.
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  • 99
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 5051-5054 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The thermal expansion coefficients of a single crystal and ceramic of Nb2O5 are measured in the temperature range of −200–500 °C by the dilatometer technique. Both single crystals and ceramics of Nb2O5 and Nb2O5(1−x):xTiO2 show negative thermal expansion in this temperature range. Some contribution to the result could be due to the presence of the Magneli phases. The main phase transition temperature, which also matches with the dielectric anomaly, occurs at (approximate)150 °C. © 2002 American Institute of Physics.
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  • 100
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 5066-5071 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Germanium-doped ZnSe epilayers have been grown on (001)-oriented semi-insulating GaAs substrates by molecular beam epitaxy. The photoluminescence (PL) spectra exhibit strong near-band edge emission similar to those from undoped, chlorine-doped and gallium-doped samples, though some differences exist. The prominent PL peak at 2.795 eV (10 K) is attributed to the germanium-bound exciton recombination and is accompanied by free exciton (2.802 eV), Ia-type exciton (2.785 eV) and Iv-type exciton (2.775 eV) emission peaks. Following an increase in temperature, the intensity of all the IGe, Ia, and Iv emission peaks decreases gradually, indicating the presence of nonradiative recombination mechanisms with thermal activation energies of 40, 70, and 50 meV respectively. However, for the Iv peak, there is one additional nonradiative recombination mechanism in accordance with the thermally activated transfer of excitons from the Iv-type centers to Ia-type centers. This nonradiative recombination mechanism with activation energy of 9 meV is responsible for the decrease of the Iv peak intensity when the sample temperature is changed from 15 to 100 K. Following an increase in temperature, the Iv peak, Ia peak, and germanium-related peak disappear gradually and successively. Finally, the PL spectrum is dominated by free exciton emission at temperatures exceeding 210 K. © 2002 American Institute of Physics.
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