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Short-range molecular dynamics

S. Plimpton, Fast parallel algorithms for short-range molecular dynamics , J. Comput. Phys., Vol 117, no 1, 1-19, 1995. [Pg.493]

S. J. Plimpton, Technical Report SAND91-1144, Sandia National Laboratories, Albuquerque, NM, 1991. Fast Parallel Algorithms for Short-Range Molecular Dynamics. [Pg.310]

P. Tamayo, J. P. Mesirov, and B. M. Boghosian, in Proceedings Supercomputing 91, Albuquerque, NM, Nov. 18-22, 1991, IEEE Computer Society Press, Los Alamitos, CA, 1991, pp. 462-470. Parallel Approaches to Short-Range Molecular Dynamics Simulations. [Pg.312]

Plimpton S (1995) Fast parallel algorithms for short-range molecular-dynamics. J Comput Phys 117 1-19 Rafii-Tabar H (2000) Modeling the nano-scale phenomena in condensed matter physics via computer-based numerical simulations. Phys Reports-Rev Section Phys Lett 325 240-310 Rescigno TN, Baertschy M, Issacs WA, and McCurdy CW (1999) Collisional breakup in a quantum system of three charged particles. Science 286 2474-2479... [Pg.215]

In an early study, Yeo and Eisenberg performed dynamic mechanical studies on H+ form Naflon membrane (EW = 1365). They note three mechanical peaks, labeled a, p, and y. The a-peak occurs at about 110°C. This relaxation was initially considered as the glass transition of the fluorocarbon matrix. The p-peak was seen at about 20°C. With increasing water content, the p-peak migrates to lower temperature, which suggested that p-peak associated with molecular motions within the ionic domains. The y-peaks at about -100°C were attributed to short-range molecular motions in the TFE phase. Later, Kyu and Eisenberg discussed dynamic mechanical relaxations for the same Naflon membrane. They found the a-peak is very... [Pg.78]

M. E. Tuckerman and B. J. Berne. Molecular dynamics in systems with multiple time scales Systems with stiff and soft degrees of freedom and with short and long range forces. J. Comp. Chem., 95 8362-8364, 1992. [Pg.258]


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See also in sourсe #XX -- [ Pg.261 , Pg.264 , Pg.272 ]




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