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Electron-phonon coupling in molecular dynamics codes

 

作者: A. Caro,  

 

期刊: Radiation Effects and Defects in Solids  (Taylor Available online 1994)
卷期: Volume 130-131, issue 1  

页码: 187-192

 

ISSN:1042-0150

 

年代: 1994

 

DOI:10.1080/10420159408219781

 

出版商: Taylor & Francis Group

 

关键词: molecular dynamics;electron-phonon interaction;collision cascades;metals

 

数据来源: Taylor

 

摘要:

Computer simulations using molecular dynamics (MD) have become the standard tool to describe the dynamics of energetic collision cascades. However, several problems concerning the physical description within MD schemes still remain open. One of the most challenging is the fact that MD simulations describe the thermal behavior of an insulator, neglecting the conductivity due to electrons. In this work we review some of the relevant ideas proposed to incorporate this effect.

 

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