PREDICTING PHONON PROPERTIES FROM EQUILIBRIUM MOLECULAR DYNAMICS SIMULATIONS

Annual Review of Heat Transfer

Volumn 17, Issue , 2014, Pages 49-87

  McGaughey, Alan J H ^a   Larkin, Jason M ^a  

^a CARNEGIE MELLON UNIVERSITY   (United States)

Author keywords

anharmonicity; lattice dynamics calculations; normal mode decomposition; phonon lifetime; vibrational modes in disordered systems; virtual crystal approximation

Indexed keywords

LATTICE VIBRATIONS; MOLECULAR DYNAMICS; PHONONS;

ANHARMONICITIES; DISORDERED SYSTEM; DYNAMICS CALCULATIONS; LATTICE DYNAMIC CALCULATION; MODE DECOMPOSITION; NORMAL MODE DECOMPOSITION; NORMAL MODES; PHONON LIFETIMES; VIBRATIONAL MODE IN DISORDERED SYSTEM; VIBRATIONAL MODES; VIRTUAL CRYSTALS APPROXIMATION;

MODE DECOMPOSITION;

EID: 85162827433     PISSN: 10490787     EISSN: 23750294     Source Type: Book Series    
DOI: 10.1615/AnnualRevHeatTransfer.2013006915     Document Type: Chapter

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