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A first-principle analysis of mechanical properties of carbon deficient transitional metal carbide

W. Zang   ORCID icon orcid.org/0000-0002-8991-2860 ; University of Science and Technology Liaoning, Anshan, Liaoning, China

Puni tekst: engleski, pdf (626 KB) str. 211-213 preuzimanja: 70* citiraj
APA 6th Edition
Zang, W. (2020). A first-principle analysis of mechanical properties of carbon deficient transitional metal carbide. Metalurgija, 59 (2), 211-213. Preuzeto s https://hrcak.srce.hr/232475
MLA 8th Edition
Zang, W.. "A first-principle analysis of mechanical properties of carbon deficient transitional metal carbide." Metalurgija, vol. 59, br. 2, 2020, str. 211-213. https://hrcak.srce.hr/232475. Citirano 31.10.2020.
Chicago 17th Edition
Zang, W.. "A first-principle analysis of mechanical properties of carbon deficient transitional metal carbide." Metalurgija 59, br. 2 (2020): 211-213. https://hrcak.srce.hr/232475
Harvard
Zang, W. (2020). 'A first-principle analysis of mechanical properties of carbon deficient transitional metal carbide', Metalurgija, 59(2), str. 211-213. Preuzeto s: https://hrcak.srce.hr/232475 (Datum pristupa: 31.10.2020.)
Vancouver
Zang W. A first-principle analysis of mechanical properties of carbon deficient transitional metal carbide. Metalurgija [Internet]. 2020 [pristupljeno 31.10.2020.];59(2):211-213. Dostupno na: https://hrcak.srce.hr/232475
IEEE
W. Zang, "A first-principle analysis of mechanical properties of carbon deficient transitional metal carbide", Metalurgija, vol.59, br. 2, str. 211-213, 2020. [Online]. Dostupno na: https://hrcak.srce.hr/232475. [Citirano: 31.10.2020.]

Sažetak
Refractory transition metal carbides have intriguing physical and chemical properties, especially when structured down to nanoscale. The lack of study in defected transition metal carbides, is partially due to the synthesis difficulty of refractory materials. The synthesis of defected carbide and their substitutional alloy will be even more difficult than single phase. First principle theory-based simulation can help to conceptualize the effects of substitutional defects on their mechanical properties. In this paper, we performed density functional theory (DFT) simulation of carbon defected α-MoC(1-x) phases to investigate their formation and mechanical properties for thesis sub-stoichiometric materials.

Ključne riječi
metal carbide; simulation method; crystal structure; mechanical properties; vacancies

Hrčak ID: 232475

URI
https://hrcak.srce.hr/232475

Posjeta: 139 *