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  • 1
    Digitale Medien
    Digitale Medien
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 101 (1994), S. 8205-8213 
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: The mixed quantum/classical molecular dynamics approach is employed to simulate the process in which an energetic H atom penetrates a Pd(100) surface. The H atom is described by a quantum wave packet, while all the Pd atoms are treated classically. Results from both 2D and 3D wave packet simulations are presented. It is found that the relaxation of the Pd lattice has minimal effect on the observed behavior, due to the lack of efficient energy flow between the light H atom and the heavy Pd atoms. Surprisingly, distinctly different behavior occurred in two and three dimensions, with the increased dimensionality exhibiting less surface penetration. The drastic difference may be traced back to the quantum mechanical nature of the motion of the H atom. Finally, the transport behavior of H in solids is discussed in connection with the simulation results.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 2
    Digitale Medien
    Digitale Medien
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 4427-4439 
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: The dynamics of activated associative desorption is discussed with particular reference to the system H2–Cu and to the partitioning of the energy released among the various product degrees of freedom. It is argued that a simple theory based on transition-state concepts should hold for this system because the potential energy surface (PES) divides naturally into reactant and product regions, separated by a "seam'' or "ridge'' at which it is reasonable to assume a thermal distribution of desorbing trajectories. Using a PES constructed in accordance with available electronic structure calculations we consider the angular distributions and translational, vibrational, and rotational energy distributions of the desorbing molecules. It is shown that, whereas the rotational energy reflects the surface temperature, the vibrational energy is markedly enhanced because the energetically low-lying regions of the ridge in the PES correspond to an H–H bond distance that is distended as compared with the gas-phase equilibrium separation. The enhancement is found to be a strong function of the surface temperature. The translational energy, however, is found to be only very weakly dependent on the temperature. These results are discussed in connection with available data.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 3
    Digitale Medien
    Digitale Medien
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 6834-6840 
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: The energy distributions of H2 molecules desorbing from Cu surface are explored in the context of a model in which molecular rotations with the angular momentum vector along the surface normal (the helicopter mode) are assumed to be free, while rotations for which the angular momentum vector lies in the plane parallel to the surface (the cartwheel mode) are taken to be hindered. In addition, a coupling is introduced between the cartwheel types of rotations and translations away from the surface. Using the classical trajectory method, it is found that the cartwheel type of rotations are "cooled'' below their thermal value implying that the desorbing molecules should be predominantly of the helicopter type. These results are more generally applicable and are in qualitative agreement with available data.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 4
    Digitale Medien
    Digitale Medien
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 63 (1988), S. 4066-4068 
    ISSN: 1089-7550
    Quelle: AIP Digital Archive
    Thema: Physik
    Notizen: We have grown two novel epitaxial phases of dysprosium (Dy) on vanadium (V) by the molecular beam epitaxy technique. Surface structures are studied by in situ reflection high-energy electron diffraction, and bulk structures are studied by x-ray diffraction after removal from the growth chamber. The new hcp phases are ∼4% expanded uniformly in the (0001) plane and ∼9% and ∼4% expanded out of plane, along the c axes, for noninterrupted and interrupted deposition cases, respectively. We also observed (2×2), (3×3), and (4×4) Dy surface reconstruction patterns and a series of structural changes as the Dy film thickness increases.
    Materialart: Digitale Medien
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  • 5
    ISSN: 1520-4995
    Quelle: ACS Legacy Archives
    Thema: Biologie , Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 6
    Digitale Medien
    Digitale Medien
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 65 (1994), S. 2789-2791 
    ISSN: 1077-3118
    Quelle: AIP Digital Archive
    Thema: Physik
    Notizen: The constraint equations for the unit translation vectors of a pseudomorphic film grown on an arbitrarily oriented substrate are correctly given for the first time. The strain in a pseudomorphic film grown on an arbitrarily oriented substrate is calculated via energy minimization under the pseudomorphic constraint. The strain tensor and the rotation tensor are concisely expressed in terms of lattice mismatch, elastic constants, and the substrate orientation vector. An expression is given for the piezoelectrically generated electric field in a pseudomorphic zinc blende film. © 1994 American Institute of Physics.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 7
    Digitale Medien
    Digitale Medien
    s.l. ; Stafa-Zurich, Switzerland
    Key engineering materials Vol. 138-140 (Sept. 1997), p. 593-608 
    ISSN: 1013-9826
    Quelle: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Thema: Maschinenbau
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 8
    Digitale Medien
    Digitale Medien
    s.l. ; Stafa-Zurich, Switzerland
    Key engineering materials Vol. 353-358 (Sept. 2007), p. 349-352 
    ISSN: 1013-9826
    Quelle: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Thema: Maschinenbau
    Notizen: The strengthening effects of the Cu-80 wt.% W (CuW80) alloy and the copper parts inCu-80wt.% W /Cu (CuW80/Cu) solid contact alloy, which was sintered and infiltrated preparedby powder metallurgy, were investigated. The effects of different compressive deformation onmicrostructure and properties of the CuW80 were studied. Furthermore, the influences ofHextrusionH on copper parts, the carrier material of the solid contact alloy CuW80/Cu were alsoinvestigated. The results show that the tungsten and copper phases are closely bonded by physicalbond in the form of pseudo-alloy and the copper phase is homogeneously dispersed within thetungsten framework. The hardness of the CuW80 increases with increasing compressivedeformation. Especially, the hardness of the copper parts in CuW80/Cu increases remarkably afterextrusion and the maximum value can reach 200%. The hardness increases from the inner to thesurface and is proportional to the distance departing from the interface of the CuW80 and Cu.TEM observation shows that the dislocation tangles exist, even inside the dislocation cell, incopper grains after extrusion
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 9
    Digitale Medien
    Digitale Medien
    s.l. ; Stafa-Zurich, Switzerland
    Materials science forum Vol. 196-201 (Nov. 1995), p. 485-490 
    ISSN: 1662-9752
    Quelle: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Thema: Maschinenbau
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 10
    Digitale Medien
    Digitale Medien
    s.l. ; Stafa-Zurich, Switzerland
    Materials science forum Vol. 594 (Aug. 2008), p. 469-474 
    ISSN: 1662-9752
    Quelle: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Thema: Maschinenbau
    Notizen: Estimating the cycle time of every job in a semiconductor manufacturing factory is acritical task to the factory. Many recent studies have shown that pre-classifying a job beforeestimating the cycle time of the job was beneficial to the forecasting accuracy. However, mostpre-classification approaches applied in this field could not absolutely classify jobs. Besides, whetherthe pre-classification approach combined with the subsequent forecasting approach was suitable forthe data was questionable. For tackling these problems, an artificial neural network (ANN) approachthat equally divides and post-classifies jobs is proposed in this study in which a job is post-classifiedby a BPN instead after the forecasting error is generated. In this novel way, only jobs which cycle timeforecasts are the same accurate will be clustered into the same category, and the classificationalgorithm becomes tailored to the forecasting approach. For evaluating the effectiveness of theproposed methodology and to make comparison with some existing approaches, some data werecollected from an actual semiconductor manufacturing factory. According to experimental results, theforecasting accuracy (measured with root mean squared error (RMSE)) of the proposed methodologywas significantly better than those of the other approaches in most cases by achieving a 16%~44%(and an average of 29%) reduction in RMSE over the comparison basis – multiple-factor linearcombination (MFLC). The effect of post-classification was also evident
    Materialart: Digitale Medien
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