Influence of thermostatting on nonequilibrium molecular dynamics simulations of heat conduction in solids

作者: Davide Donadio , Ning Wei , Shunda Chen , Shiyun Xiong , Tapio Ala-Nissila

DOI: 10.1063/1.5132543

关键词:

摘要: Nonequilibrium molecular dynamics (NEMD) has been extensively used to study thermal transport at various length scales in many materials. In this method, two local thermostats at …

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