scholarly journals Effects of point defects on thermal conductivity in cubic silicon carbide: A molecular dynamics study

2021 ◽  
Vol 0 (0) ◽  
pp. 0-0
Author(s):  
◽  
◽  
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Silicon Carbide ◽  
Point Defects ◽  
Cubic Silicon Carbide

Effects of rare-earth oxide and alumina additives on thermal conductivity of liquid-phase-sintered silicon carbide

2003 ◽  
Vol 18 (8) ◽  
pp. 1854-1862 ◽  
Author(s):  
You Zhou ◽  
Kiyoshi Hirao ◽  
Yukihiko Yamauchi ◽  
Shuzo Kanzaki
Keyword(s):  
Thermal Conductivity ◽  
Silicon Carbide ◽  
Rare Earth ◽  
Liquid Phase ◽  
Point Defects ◽  
Rare Earth Oxide ◽  
Low Oxygen ◽  
Sic Ceramics ◽  
Sintered Silicon ◽  
Thermal Conductivities

SiC ceramics were prepared from a β–SiC powder doped with two different sintering additives—a mixture of La2O3and Y2O3and a mixture of Al2O3and Y2O3—by hot pressing and annealing. Their microstructures, phase compositions, lattice oxygen contents, and thermal conductivities were evaluated. The SiC doped with rare-earth oxides attained thermal conductivities in excess of 200 W/(m K); however, the SiC doped with additives containing alumina had thermal conductivities lower than 71 W/(m K). The high thermal conductivity of the rare-earth-oxide-doped SiC was attributed to the low oxygen content in SiC lattice, high SiC–SiC contiguity, and lack of β– to α–SiC polytypic transformation. The low thermal conductivity of the alumina-doped SiC was attributed to the point defects resulting from the dissolution of Al2O3into SiC lattice and the occurrence of polytypic transformation.

Ab Initio Investigations of Threshold Displacement Energies and Stability of Associated Defects in Cubic Silicon Carbide

2005 ◽  
Vol 108-109 ◽  
pp. 671-676
Author(s):  
Guillaume Lucas ◽  
Laurent Pizzagalli
Keyword(s):  
Molecular Dynamics ◽  
Silicon Carbide ◽  
First Principles ◽  
Transition State Theory ◽  
State Theory ◽  
The Stability ◽  
Dynamics Simulations ◽  
Cubic Silicon Carbide ◽  
Threshold Displacement ◽  
Good Agreement

Using first principles molecular dynamics simulations, we have recently determined the threshold displacement energies and the associated created defects in cubic silicon carbide. Contrary to previous studies using classical molecular dynamics, we found values close to the experimental consensus, and also created defects in good agreement with recent works on interstitials stability in silicon carbide. We have also investigated the stability of several Frenkel pairs, using transition state theory and constrained path calculations.

Thermal conductivity degradation induced by point defects in irradiated silicon carbide

2011 ◽  
Vol 98 (19) ◽  
pp. 191905 ◽  
Author(s):  
Jean-Paul Crocombette ◽  
Laurent Proville
Keyword(s):  
Thermal Conductivity ◽  
Silicon Carbide ◽  
Point Defects
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