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Browsing by Subject "Phase stability"

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First-principles investigation of W-V and W-Mo alloys as potential plasma facing materials (PFMs) for nuclear application bondMo alloys as potential plasma facing materials (PFMs) for nuclear application

Author: Phasha, MJ ; Bolokang, Amogelang S ; Kebede, Mesfin A Date: Feb 2021 Density-functional theory (DFT) based first-principles calculations were used to investigate the crystal structure, binding energy, phase stability and elastic properties of body-centered cubic (BCC) W-based binary solid solutions. The effect ... Read more
Link between structural and mechanical stability of fcc- and bcc-based ordered MgeLi alloys

Author: Phasha, MJ ; Ngoepe, PE ; Chauke, HR ; Pettifor, DR ; Nguyen-Mann, D Date: Jun 2010 The first principles pseudopotential calculations based on the PerdeweBurkeeErnzerhof (PBE) form of generalized gradient approximation (GGA) within density functional theory (DFT) have been utilized to investigate the structural and elastic ... Read more

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Browsing by Subject "Phase stability"

Browsing by Subject "Phase stability"

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