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 …