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Full-Text Articles in Physics
Direct Band Gap Gallium Antimony Phosphide (GasbXP1-X) Alloys, H. B. Russell, A. N. Andriotis, Madhu Menon, J. B. Jasinski, A. Martinez-Garcia, M. K. Sunkara
Direct Band Gap Gallium Antimony Phosphide (GasbXP1-X) Alloys, H. B. Russell, A. N. Andriotis, Madhu Menon, J. B. Jasinski, A. Martinez-Garcia, M. K. Sunkara
Center for Computational Sciences Faculty Publications
Here, we report direct band gap transition for Gallium Phosphide (GaP) when alloyed with just 1–2 at% antimony (Sb) utilizing both density functional theory based computations and experiments. First principles density functional theory calculations of GaSbxP1−x alloys in a 216 atom supercell configuration indicate that an indirect to direct band gap transition occurs at x = 0.0092 or higher Sb incorporation into GaSbxP1−x. Furthermore, these calculations indicate band edge straddling of the hydrogen evolution and oxygen evolution reactions for compositions ranging from x = 0.0092 Sb up to at least x = 0.065 …
Effect Of Spalled Particles Thermal Degradation On A Hypersonic Flow Field Environment, Raghava S. C. Davuluri, Huaibao Zhang, Alexandre Martin
Effect Of Spalled Particles Thermal Degradation On A Hypersonic Flow Field Environment, Raghava S. C. Davuluri, Huaibao Zhang, Alexandre Martin
Mechanical Engineering Faculty Publications
Two-way coupling is performed between a spallation code and a hypersonic aerothermodynamics CFD solver to evaluate the effect of spalled particles on the flow field. Time accurate solutions are computed in argon and air flow fields. A single particle simulations and multiple particles simulations are performed and studied. The results show that the carbon vapor released by spalled particles tend to change the composition of the flow field, particularly the upstream region of the shock.