Long-range finnis–sinclair potentials
Web3 de nov. de 2024 · Force-field based classical molecular dynamics (MD) simulations are fundamental computational techniques to describe time-evolutions of molecules and materials from the atomic level. 1,2 1. D. Web1 de dez. de 2009 · In 1984, the paper, entitled A simple empirical N-body potential for transition metals by M.W. Finnis and J.E. Sinclair appeared in Philosophical Magazine …
Long-range finnis–sinclair potentials
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WebA. M. Quynh is an academic researcher from Joint Institute for Nuclear Research. The author has contributed to research in topic(s): Recoil & Neutron. The author has an hindex of 2, co-authored 6 publication(s) receiving 10 citation(s). WebAbstract Many-body, long-range potentials of a Finnis-Sinclair type are formulated for the atomistic description of binary f.c.c. metallic alloys. These potentials are generalizations of the scheme constructed by Sutton and Chen (1990), for the atomistic modelling of f.c.c. elemental metals. The parameters for the alloy potentials are obtained directly from the …
WebThe square root of Finnis Sinclair potentials is equivalent to the embedding function, glue and effective medium of similar potentials. AB - The December 2009 special issue of … WebNo estudo realizado por KAZANAC [1 1 KAZANC, S. “Molecular dynamics study of pressure effect on crystallization behaviour of amorphous CuNi alloy during isothermal annealing”, …
WebBond order potential is a class of empirical (analytical) interatomic potentials which is used in molecular dynamics and molecular statics simulations. Examples include the Tersoff … WebA range of molecular dynamics simulations (reviewed in [1]) has been carried out to study adhesion, sintering, friction and fracture between a metallic nanoscale tip and a flat metallic substrate. Long-range N-body interatomic potentials [2–3] of the Finnis-Sinclair type have been used, in addition to pair potential descriptions.
Web20 de out. de 2010 · The effect of surface and interface elasticity in the analysis of the Saint–Venant torsion problem of an eccentrically two-phase fcc circular nanorod is considered; description of the behavior of such a small …
Web20 de ago. de 2006 · Abstract. Finnis–Sinclair potentials are developed for computer simulations in which van der Waals type interactions between well separated atomic clusters are as important as the description of metallic bonding at short range. The potentials … second hand upvc back doorsWebA range of molecular dynamics simulations (reviewed in [1]) has been carried out to study adhesion, sintering, friction and fracture between a metallic nanoscale tip and a flat … second hand upright freezers for saleWebAbstract Many-body, long-range potentials of a Finnis-Sinclair type are formulated for the atomistic description of binary f.c.c. metallic alloys. These potentials are generalizations … second hand urban outfitters furniture