Abstract
The underlying concepts of nonequilibrium statistical mechanics, and of irreversible thermodynamics, will be described. The question at hand is then, How are these concepts to be realized in computer simulations of many-particle systems? The answer will be given for dissipative deformation processes in solids, on three hierarchical levels: heterogeneous plastic flow, dislocation dynamics, and molecular dynamics. Application to the shock process will be discussed.
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References
H. J. Kreuzer, Nonequilibrium Thermodynamics and its Statistical Foundations ( Clarendon Press, Oxford, 1981 ).
D. C. Wallace, Thermoelastic-Plastic Flow in Solids (LA-10119, Los Alamos National Laboratory, Los Alamos, 1985 ).
D. C. Wallace, in Electronic Structure, Dynamics, and Quantum Structural Properties of Condensed Matter, edited by J. T. Devreese and P. Van Camp ( Plenum, New York, 1985 ), p. 521.
G. K. Straub, R. E. Swanson, B. L. Holian, and D. C. Wallace, in Ab Initio Calculation of Phonon Spectra, edited by J. T. Devreese ( Plenum, New York, 1983 ), p. 137.
R. E. Swanson, G. K. Straub, B. L. Holian, and D. C. Wallace, Phys. Rev. B25, 7807 (1982).
B. L. Holian, G. K. Straub, R. E. Swanson, and D. C. Wallace, Phys. Rev. B27, 2873 (1983).
G. K. Straub, S. K. Schiferl, and D. C. Wallace, Phys. Rev. B28, 312 (1983).
G. K. Straub and D. C. Wallace, Phys. Rev. B30, 3929 (1984).
D. C. Wallace, S. K. Schiferl, and G. K. Straub, Phys. Rev. A30, 616 (1984).
D. C. Wallace and G. K. Straub, Phys. Rev. A27, 2201 (1983).
D. C. Wallace, B. L. Holian, J. D. Johnson, and G. K. Straub, Phys. Rev. A26, 2882 (1982).
S. K. Schiferl and D. C. Wallace, Phys. Rev. B31, 7662 (1985).
D. C. Wallace, Phys. Rev. 176, 832 (1968).
H. C. Andersen, J. Chem. Phys. 72, 2384 (1980).
M. Parrinello and A. Rahman, J. Appl. Phys. 52, 7182 (1981).
F. F. Abraham, in Proc. Intern. Conf. on Ordering in Two Dimensions, edited by S. K. Sinha ( North-Holland, New York, 1980 ), p. 155.
F. F. Abraham, Phys. Reports 80, 339 (1981).
W. G. Hoover and W. T. Ashurst, in Theoretical Chemistry, edited by H. Eyring and D. Henderson ( Academic, New York, 1975 ), Vol. 1, p. 1.
W. G. Hoover, Ann. Rev. Phys. Chem. 34, 103 (1983).
W. G. Hoover, Physics Today 37, 44 (1984).
L. Davison, in Shock Waves in Condensed Matter — 1983, edited by J. R. Asay, R. A. Graham, and G. K. Straub ( North-Holland, Amsterdam, 1984 ), p. 181.
L. Davison, A. L. Stevens, and M. E. Kipp, J. Mech. Phys. Solids 25, 11 (1977).
J. N. Johnson, J. Appl. Mech. 105, 593 (1983).
R. B. Schwarz and R. Labusch, J. Appl. Phys. 49, 5174 (1978).
R. B. Schwarz, Phys. Rev. B21, 5617 (1980).
R. B. Schwarz, Acta Met. 29, 311 (1981).
D. C. Wallace, Thermodynamics of Crystals ( Wiley, New York, 1972 ).
V. Vitek, Crystal Lattice Defects 5 1 (1974).
V. Vitek, Proc. Roy. Soc. (London) A352, 109 (1976).
M. Yamaguchi, V. Paidar, D. P. Pope, and V. Vitek, Phil. Mag. A45, 867 (1982).
V. Paidar, M. Yamaguchi, D. P. Pope, and V. Vitek, Phil. Mag. A45, 883 (1982).
D. C. Wallace, Phys. Rev. B22, 1477 (1980).
D. C. Wallace, Phys. Rev. B22, 1487 (1980).
J. N. Johnson and L. M. Barker, J. Appl. Phys. 40, 4321 (1969).
D. E. Grady and J. R. Asay, J. Appl. Phys. 53, 7350 (1982).
D. E. Grady, in Shock Waves in Condensed Matter — 1983, edited by J. R. Asay, R. A. Graham, and G. K. Straub ( North-Holland, Amsterdam, 1984 ), p. 363.
D. C. Wallace, Phys. Rev. B22, 1495 (1980).
D. C. Wallace, Phys. Rev. B24, 5597 (1981).
D. C. Wallace, Phys. Rev. B24, 5607 (1981).
D. C. Wallace, Phys. Rev. A25, 3290 (1982).
D. H. Tsai and C. W. Beckett, J. Geophys. Res. 71, 2601 (1966).
B. L. Hoilan and G. K. Straub, Phys. Rev. B18, 1593 (1978).
G. K. Straub, B. L. Holian, and R. G. Petschek, Phys. Rev. B19, 4049 (1979).
R. A. MacDonald and D. H. Tsai, Phys. Reports 46, 1 (1978).
B. L. Holian and G. K. Straub, Phys. Rev. Lett. 43, 1598 (1979).
G. K. Straub, private communication.
W. G. Hoover, Phys. Rev. Lett. 42, 1531 (1979).
B. L. Holian, W. G. Hoover, B. Moran, and G. K. Straub, Phys. Rev. A22 2798 (1980).
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© 1986 Plenum Press, New York
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Wallace, D.C. (1986). Computer Simulation of Nonequilibrium Processes. In: Gupta, Y.M. (eds) Shock Waves in Condensed Matter. Springer, Boston, MA. https://doi.org/10.1007/978-1-4613-2207-8_3
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DOI: https://doi.org/10.1007/978-1-4613-2207-8_3
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