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Computational thermodynamics and its applications
Acta Materialia, 2020Abstract Thermodynamics is a science concerning the state of a system, whether it is stable, metastable or unstable, when interacting with the surroundings. In this overview, fundamentals of thermodynamics are briefly reviewed through the combination of first and second laws of thermodynamics for open and nonequilibrium systems to demonstrate that ...
Zi-Kui Liu
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2007
Phase diagrams are used in materials research and engineering to understand the interrelationship between composition, microstructure and process conditions. In complex systems, computational methods such as CALPHAD are employed to model thermodynamic properties for each phase and simulate multicomponent phase behavior. Written by recognized experts in
Hans Lukas, Suzana G. Fries, Bo Sundman
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Phase diagrams are used in materials research and engineering to understand the interrelationship between composition, microstructure and process conditions. In complex systems, computational methods such as CALPHAD are employed to model thermodynamic properties for each phase and simulate multicomponent phase behavior. Written by recognized experts in
Hans Lukas, Suzana G. Fries, Bo Sundman
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Journal of Educational Technology Systems, 2002
A new computer-based approach to teaching thermodynamics is being developed and tried by two mechanical engineering professors at the U.S. Naval Academy. The course uses sophisticated software, in this case CyclePad, to work all of the homework problems.
Kenneth L. Tuttle, Chih Wu
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A new computer-based approach to teaching thermodynamics is being developed and tried by two mechanical engineering professors at the U.S. Naval Academy. The course uses sophisticated software, in this case CyclePad, to work all of the homework problems.
Kenneth L. Tuttle, Chih Wu
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Signal entropy and the thermodynamics of computation
IBM Systems Journal, 1996Electronic computers currently have many orders of magnitude more thermodynamic degrees of freedom than information-bearing ones (bits). Because of this, these levels of description are usually considered separately as hardware and software, but as devices approach fundamental physical limits these will become comparable and must be understood together.
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Applications of Computational Thermodynamics
Zeitschrift für Metallkunde, 2002The major tools used in applying computational thermodynamics to various problems in materials science are briefly presented and several practical examples are given as illustrations. Solutions to industrial problems, pertaining to the processing of and microstructure development in several different materials, are shown with answers given in graphical
J. Ågren +5 more
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Introduction to Computational Thermodynamics
2018In this chapter, the correlation between chemical thermodynamics, phase diagrams, and the principles of calculation methods are discussed.
Taishi Matsushita, Kusuhiro Mukai
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Theory Of Thermodynamics Of Computation
Workshop on Physics and Computation, 2005We investigate a new research area: we are interested in the u ltimate t hermodynamic cost of computing from x to y. Other than its f undamental importance, such research has implications for future miniaturiaation of VLSI chips reducing the energy dissipation below IcT (thermal noise), and the similarity distance problem in pattern recognition.
null Ming Li, P. Vitanyi
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Computational Thermodynamics of Materials
2016This unique and comprehensive introduction offers an unrivalled and in-depth understanding of the computational-based thermodynamic approach and how it can be used to guide the design of materials for robust performances, integrating basic fundamental concepts with experimental techniques and practical industrial applications, to provide readers with a
Zi-Kui Liu, Yi Wang
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Physical Review A, 1992
Molecular-dynamics and Monte Carlo simulations of fluids and of crystals are typically performed using periodic boundary conditions and small numbers of particles, i.e., small compared with Avogadro's number. For fluids, if the dimensions of the simulated system are large enough compared with the correlation length of the material, the simulation can ...
, Swope, , Andersen
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Molecular-dynamics and Monte Carlo simulations of fluids and of crystals are typically performed using periodic boundary conditions and small numbers of particles, i.e., small compared with Avogadro's number. For fluids, if the dimensions of the simulated system are large enough compared with the correlation length of the material, the simulation can ...
, Swope, , Andersen
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The thermodynamics of computation—a review
International Journal of Theoretical Physics, 1982Computers may be thought of as engines for transforming free energy into waste heat and mathematical work. Existing electronic computers dissipate energy vastly in excess of the mean thermal energykT, for purposes such as maintaining volatile storage devices in a bistable condition, synchronizing and standardizing signals, and maximizing switching ...
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