Exothermic and endothermic chemical reactions involving very many particles modeled with molecular dynamics

[1]  Yuen,et al.  A Two-Level, Discrete-Particle Approach for Simulating Ordered Colloidal Structures. , 2000, Journal of colloid and interface science.

[2]  David A. Yuen,et al.  Turbulent mixing in the microscale: a 2D molecular dynamics simulation , 2000 .

[3]  Kurt Binder,et al.  How simulations clarify complex material phase transitions , 1999, Comput. Sci. Eng..

[4]  David A. Yuen,et al.  Complex fluid-dynamical phenomena modeled by large-scale molecular-dynamics simulations , 1998 .

[5]  Andreoni,et al.  The chemistry of water on alumina surfaces: reaction dynamics from first principles , 1998, Science.

[6]  David A. Yuen,et al.  Comparison of mixing properties in convection with the Particle‐Line Method , 1998 .

[7]  So,et al.  Oscillating chemical reactions and phase separation simulated by molecular dynamics , 1997 .

[8]  P. Español.  FLUID PARTICLE MODEL , 1997, cond-mat/9709024.

[9]  Johnson,et al.  Evidence of hexatic phase formation in two-dimensional Lennard-Jones binary arrays. , 1996, Physical Review B (Condensed Matter).

[10]  Anna T. Lawniczak,et al.  Lattice gas automata for reactive systems , 1995, comp-gas/9512001.

[11]  S. Zaleski,et al.  Lattice-gas models of phase separation: interfaces, phase transitions, and multiphase flow , 1994 .

[12]  Y. Saad,et al.  Finite-difference-pseudopotential method: Electronic structure calculations without a basis. , 1994, Physical review letters.

[13]  Jörg R. Weimar,et al.  Class of cellular automata for reaction-diffusion systems. , 1993, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.

[14]  W. Niessen,et al.  Diffusion and reaction in multicomponent systems via cellular‐automaton modeling: A+B2 , 1993 .

[15]  J. Koelman,et al.  Simulating microscopic hydrodynamic phenomena with dissipative particle dynamics , 1992 .

[16]  Car,et al.  Structural, bonding, dynamical, and electronic properties of liquid silicon: An ab initio molecular-dynamics study. , 1991, Physical Review B (Condensed Matter).

[17]  K. Wilson,et al.  Reaction dynamics from liquid structure , 1991 .

[18]  B. Chopard,et al.  Microscopic Study of the Properties of the Reaction Front in an A + B???C Reaction-Diffusion Process , 1991 .

[19]  D. R. Janecky,et al.  A lattice gas automata model for heterogeneous chemical reactions at mineral surfaces and in pore networks , 1991 .

[20]  J. Gryko,et al.  Molecular dynamics simulation of a chemical reaction , 1989 .

[21]  F. Stillinger,et al.  Molecular dynamics simulation for chemically reactive substances. Fluorine , 1988 .

[22]  J. Gryko,et al.  The adiabatic thermal explosion in a small system: Comparison of the stochastic approach with the molecular dynamics simulation , 1987 .

[23]  J. Reimers,et al.  Molecular dynamics of the A+BC reaction in rare gas solution , 1986 .

[24]  P. Ortoleva,et al.  Computer molecular dynamics studies of a chemical instability , 1976 .

[25]  David A. Yuen,et al.  Dissipative Particle Dynamics of the Thin-Film Evolution in Mesoscale , 1999 .

[26]  David A. Yuen,et al.  CROSS-SCALE NUMERICAL SIMULATIONS USING DISCRETE PARTICLE MODELS , 1999 .

[27]  David A. Yuen,et al.  Molecular Dynamics Simulations of RAYLEIGH-TAYLOR Instability , 1997 .

[28]  J. Ottino,et al.  Chaotic mixing processes: New problems and computational issues , 1995 .

[29]  Julio O. Ottino,et al.  The mixing of fluids , 1989 .