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Now showing items 11-15 of 15
Shear-induced mechanical failure of beta-Ga2O3 from quantum mechanics simulations
Monoclinic gallium oxide (beta-Ga2O3) has important applications in power devices and deep UV optoelectronic devices because of such novel properties as a wide band gap, high breakdown electric field, and a wide range of ...
Atomistic explanation of brittle failure of thermoelectric skutterudite cosb3
(American Chemical Society, 2016)
Skutterudites based on CoSb3 have high thermoelectric efficiency, but the low fracture strength is a serious consideration for commercial applications. To understand the origin of the brittleness in CoSb3, we examine the ...
Ductile deformation mechanism in semiconductor ?-Ag 2 S
(Nature Research, 2018)
Inorganic semiconductor ?-Ag2S exhibits a metal-like ductile behavior at room temperature, but the origin of this high ductility has not been fully explored yet. Based on density function theory simulations on the intrinsic ...
Superstrengthening Bi2Te3 through Nanotwinning
Bismuth telluride (Bi2Te3) based thermoelectric (TE) materials have been commercialized successfully as solid-state power generators, but their low mechanical strength suggests that these materials may not be reliable for ...
Ductile deformation mechanism in semiconductor alpha-Ag2S
Inorganic semiconductor alpha-Ag2S exhibits a metal-like ductile behavior at room temperature, but the origin of this high ductility has not been fully explored yet. Based on density function theory simulations on the ...