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Keywords: ab initio calculations
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Journal Articles
Publisher: ASME
Article Type: Research Papers
J. Heat Mass Transfer. November 2011, 133(11): 112401.
Published Online: September 16, 2011
... systems or efficient thermoelectric devices. 29 10 2010 24 05 2011 16 09 2011 16 09 2011 ab initio calculations gallium compounds Gaussian distribution III-V semiconductors indium compounds interface roughness phonon dispersion relations semiconductor superlattices...
Journal Articles
Publisher: ASME
Article Type: Review Articles
J. Heat Mass Transfer. April 2011, 133(4): 040801.
Published Online: January 10, 2011
... developed first-principles theory of thermal waves offers not only a macroscopic reason for experimental observations but also a model governing the microstructure-conductivity relationship without involving any empirical parameter. 31 12 2009 24 09 2010 10 01 2011 ab initio...
Journal Articles
Publisher: ASME
Article Type: Research Papers
J. Heat Mass Transfer. December 2008, 130(12): 122403.
Published Online: September 18, 2008
... thermostat controlling the temperatures). The temperature evolutions in the two neighboring layers are computed. The atomic vibration power spectra are calculated and used to explain the phenomena observed in the simulation. 08 10 2007 05 06 2008 18 09 2008 ab initio calculations...