Abstract
Atomistic Molecular Dynamics and Lagrangian Continuum Mechanics can be very similarly adapted to massively-parallel computers. Millions of degrees of freedom can be treated. The two complementary approaches, microscopic and macroscopic, are being applied to increasingly realistic flows of fluids and solids. The two approaches can also be combined in a hybrid simulation scheme. Hybrids combine the fundamental constitutive advantage of atoms with the size advantage of the continuum picture.
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Some General References
Microscopic Molecular Dynamics
See W. G. Hoover, Computational Statistical Mechanics (Elsevier, Amsterdam, 1991) and Microscopic Simulations of Complex Flows (M. Mareschal, editor), NASI Series B, Volume 236 (Plenum, New York, 1990) and the references below for an introduction to the literature. For a sample of recent timing results see D. M. Beazley and P. S. Lomdahl, “Message-Passing Multi-Cell Molecular Dynamics on the Connection Machine 5” (Parallel Computing, to appear).
Macroscopic Smoothed-Particle Hydrodynamics
L. B. Lucy, “A Numerical Approach to the Testing of the Fission Hypothesis”, Astronomical Journal 82, 1013 (1977).
J. J. Monaghan, “Smoothed Particle Hydrodynamics”, Annual Review of Astronomy and Astrophysics 30,543 (1992).
L. Hernquist, “Some Cautionary Remarks about Smoothed Particle Hydrodynamics”, The Astrophysical Journal 404,717 (1993).
W. G. Hoover, T. G. Pierce, J. Shugart, C. Stein, C. G. Hoover, and A. L. Edwards, “Molecular Dynamics, Smoothed-Particle Hydrodynamics, and Irreversibility”, Computers & Mathematics with Applications (to appear, 1994).
Microscopic and Macroscopic Simulations of Rayleigh-Bénard Instability
Goldhirsch, R. B. Pelz, and S. A. Orszag, “Numerical Simulation of Thermal Convection in a Two-Dimensional Finite Box”, Journal of Fluid Mechanics 199, 1 (1989).
D. C. Rapaport, “Molecular Dynamics Study of Rayleigh-Bénard Convection”, Physical Review Letters 60,2480 (1988) and “Temporal Periodicity in Microscopic Simulation of Rayleigh-Bénard Convection", in Microscopic Simulations of Complex Hydrodynamic Phenomena (M. Mareschal and B. L. Holian, editors), NASI Series B, Volume 292 (Plenum, New York, 1992).
Microscopic Simulations of Silicon Indentation
W. G. Hoover, A. J. De Groot, and C. G. Hoover, “Massively Parallel Computer Simulation of Plane-Strain Elastic-Plastic Flow via Nonequilibrium Molecular Dynamics and Lagrangian Continuum Mechanics”, Computers in Physics 6, 155 & cover (1992).
J. S. Kallman, W. G. Hoover, C. G. Hoover, A. G. DeGroot, S. M. Lee, and F. Wooten, “Molecular Dynamics of Silicon Indentation”, Physical Review B 47, 7705 (1993).
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© 1993 Springer-Verlag Berlin Heidelberg
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Hoover, W.G., Hoover, C.G., De Groot, A.J., Pierce, T.G. (1993). Microscopic and macroscopic dynamics. In: Volkert, J. (eds) Parallel Computation. ACPC 1993. Lecture Notes in Computer Science, vol 734. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-57314-3_3
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DOI: https://doi.org/10.1007/3-540-57314-3_3
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