Mechanical and thermodynamic stability, structural, electronics and magnetic properties of new ternary thorium-phosphide silicides ThSixP1-x: First-principles investigation and prospects for clean nuclear energy applications

Mechanical and thermodynamic stability, structural, electronics and magnetic properties of new ternary thorium-phosphide silicides ThSixP1-x: First-principles investigation and prospects for clean nuclear energy applications

Thorium compounds have attracted immense scientific and technological attention with regard to both fundamental and practical implications, owing to unique chemical and physical properties like high melting point, high density and thermal conductivity. Hereby, we investigate the mechanical and therm...

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Bibliographic Details
Main Authors: Muhammad Siddique, Azmat Iqbal, Amin Ur Rahman, Sikander Azam, Zeshan Zada, Nazia Talat
Format: Article
Language:English
Published: Elsevier 2021-02-01
Series:Nuclear Engineering and Technology
Subjects:
Thorium phosphide-silicides
Thorium carbides
Nuclear fuel
Generalized-gradient-approximation
Spin magnetic moments
Density functional theory
Online Access:http://www.sciencedirect.com/science/article/pii/S1738573320304319

Internet

http://www.sciencedirect.com/science/article/pii/S1738573320304319

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