On the centre of mass velocity in molecular dynamics simulations

Fuente: Universidad Nacional Autónoma de México

Resumen: Molecular dynamics simulations are performed on a fluid at supercritical conditions to analyze the effect that the velocity of centre of mass (VCOM) of the system has on temperature and phase stability. Standard rescaling velocities and Nose-Hoover chains of thermostats methodś are used to...

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Bibliographic Details
Main Author: Méndez Maldonado, G. A.
Format: Artículo de Investigación
Language:English
Published: Sociedad Mexicana de Física, A.C. 2012
Universidad Nacional Autónoma de México; Facultad de Ciencias
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