Elastic Properties of Heusler Alloys Ni(Co)-Mn(Cr, C)-In and Ni(Co)-Mn(Cr, C)-Sn
Danil R. Baigutlin, Mikhail A. Zagrebin, Vladimir V. Sokolovskiy, Vasiliy D. Buchelnikov
Abstract. In this paper, a first-principles study of the structural and elastic Heusler alloys of the form Ni(Co)-Mn(Cr, C)-In and Ni(Co)-Mn(Cr, C)-Sn was made. For the investigated alloys tensors of elastic constants using the density functional theory realized in the VASP package and the finite strain method were calculated. Also, the shear moduli and bulk moduli for polycrystals were calculated using the Hill averaging and Young’s moduli. The Poisson’s coefficients and Debye temperatures are determined. The shear moduli and bulk moduli for polycrystals using Hill averaging were also calculated and the values of the characteristics such as Young’s modulus, the Poisson’s ratio and the Debye temperature were calculated.
Keywords
Elastic Constants, Debye Temperature, Ab Initio Calculation, Poisson’s Ratio, Young’s Modulus
Published online 11/15/2018, 9 pages
Copyright © 2018 by the author(s)
Published under license by Materials Research Forum LLC., Millersville PA, USA
Citation: Danil R. Baigutlin, Mikhail A. Zagrebin, Vladimir V. Sokolovskiy, Vasiliy D. Buchelnikov, ‘Elastic Properties of Heusler Alloys Ni(Co)-Mn(Cr, C)-In and Ni(Co)-Mn(Cr, C)-Sn’, Materials Research Proceedings, Vol. 9, pp 83-91, 2018
DOI: http://dx.doi.org/10.21741/9781644900017-16
The article was published as article 16 of the book Shape Memory Alloys
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