๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Enhanced Interatomic Potential for Skutterudite CoSb3in Molecular Dynamics Simulations

โœ Scribed by Xuqiu Yang; An Zhou; Lisheng Liu; Qingjie Zhang; Pengcheng Zhai


Publisher
Springer US
Year
2010
Tongue
English
Weight
333 KB
Volume
39
Category
Article
ISSN
0361-5235

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


The effect of interatomic potential in m
โœ H.Y. Chan; K. Nordlund; J. Peltola; H.-J.L. Gossmann; N.L. Ma; M.P. Srinivasan; ๐Ÿ“‚ Article ๐Ÿ“… 2005 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 367 KB

Being able to accurately predict dopant profiles at sub-keV implant energies is critical for the microelectronic industry. Molecular Dynamics (MD), with its capability to account for multiple interactions as energy lowers, is an increasingly popular simulation method. We report our work on sub-keV i

An implemented potential of non-rigid wa
โœ Pierfranco Demontis; Giuseppe B. Suffritti; Ettore S. Fois; Aldo Gamba ๐Ÿ“‚ Article ๐Ÿ“… 1986 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 491 KB

The central force model for a water molecule is corrected by adding a three-body term. The present potential fits both an accurate ab initio potential energy surface and the fundamental vibrational frequencies of gas-phase water. The three-body terms allow us to reproduce the gas-phase IR spectrum b