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cond-mat.mtrl-sci2019★ 4 cited
Low compressible BPN
George S. Manyali, James Sifuna
Using first principles calculation, the structural and mechanical properties of BPN which adopts an orthorhombic structure with space group Pna2 (no. 33), were determin…
cond-mat.mtrl-sci2019
A DFT study of mechanical properties of hcp Rhenium
George S. Manyali
In the present paper, hcp Re was investigated in terms of its structural, elastic, mechanical and thermodynamic properties using density-functional theory (DFT). The local density…