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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Principais autores:	Muhammad Siddique, Azmat Iqbal, Amin Ur Rahman, Sikander Azam, Zeshan Zada, Nazia Talat
Formato:	Artigo
Idioma:	Inglês
Publicado em:	Elsevier 2021-02-01
coleção:	Nuclear Engineering and Technology
Assuntos:	Thorium phosphide-silicides Thorium carbides Nuclear fuel Generalized-gradient-approximation Spin magnetic moments Density functional theory
Acesso em linha:	http://www.sciencedirect.com/science/article/pii/S1738573320304319
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