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  • 1
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 90 (1986), S. 4624-4631 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 58 (1985), S. 2125-2134 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Optimal control theory is used to determine the piston trajectory which yields maximum power output for a model which incorporates the diesel engine's major irreversibilities. Optimal trajectories were obtained for the cases of unconstrained and constrained piston acceleration. Optimizing the path for our standard engine increased both the net work output per cycle and the net efficiency by about 10%.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 58 (1985), S. 2893-2901 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We examine a reciprocating heat engine which necessarily operates far from equilibrium and about an unstable steady state. The piston of the engine is driven by the nonlinear coupling of the working fluid to an external light source which provides high quality heat and to the environment into which waste heat is dumped. We determine the piston trajectories that optimize two different criteria of process performance, the maximization of work output, and the minimization of entropy production. The trajectories optimizing different performance goals are qualitatively different. In engines not dominated by friction losses, the cycle optimizing work output requires that the expansion stroke begins with a slight compression and the temperature of the working fluid increases briefly.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 32 (1999), S. 65-70 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: An improved method for intensity-uniformity calibration of diffraction data collected on spiral-readout image-plate (IP) systems is described. This technique is applicable to all types of spiral-readout IP detectors. The procedure utilizes an attenuated direct-beam scan of the IP to generate a radial-sensitivity calibration table. Exposure and scanning of the calibration frame are done on the same time scale as typical data collections, and require no additional equipment. Specific examples are presented for use with Mac Science DIP2000 systems. The new radial calibration is shown to reduce significantly structure-based R factors. The improved radial calibration is also shown to lower Rmerge when the IP is offset from the beam center. In addition to improving data quality and statistics, this method provides a quick and simple diagnostic tool to monitor changes in the sensitivity of the IP detector as a function of age.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 9 (1988), S. 650-661 
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: We apply Shanno's conjugate gradient algorithm to the problem of minimizing the potential energy function associated with molecular mechanical calculations. Shanno's algorithm is stable with respect to roundoff errors and inexact line searches and converges rapidly to a minimum. Equally important, this algorithm can improve the rate of convergence to a minimum by a factor of 5 relative to Fletcher-Reeves or Polak-Ribière minimizers when used within the molecular mechanics package AMBER. Comparable improvements are found for a limited number of simulations when the Polak-Ribière direction vector is incorporated into the Shanno algorithm.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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