How to improve the accuracy of equilibrium molecular dynamics for computation of thermal conductivity?

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 374, Issue 23, 2010, Pages 2392-2396

  Chen, Jie ^a   Zhang, Gang ^b   Li, Baowen ^a,c  

^a NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

^b PEKING UNIVERSITY   (China)

^c NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

Heat conduction; Molecular dynamics; Thermal properties of crystalline solids

Indexed keywords

HEAT CONDUCTION; MOLECULAR DYNAMICS; NANOCRYSTALLINE MATERIALS; PHONONS;

AUTOCORRELATION FUNCTIONS; CRYSTALLINE SILICONS; DIRECT INTEGRATION; DOUBLE EXPONENTIAL; EQUILIBRIUM MOLECULAR DYNAMICS; GREEN-KUBO FORMULA; LOW-FREQUENCY PHONON; THERMAL PROPERTIES OF CRYSTALLINE SOLIDS;

THERMAL CONDUCTIVITY;

EID: 77950937922     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physleta.2010.03.067     Document Type: Article

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