The influence of 3d-metal alloy additions on the elastic and thermodynamic properties of CuPd3

doi:10.1088/1674-1056/22/8/083401

Abstract Embedded-atom method (EAM) potentials are used to investigate the effects of alloying (e.g. 3d-metals) on the trends of elastic and thermodynamic properties for CuPd₃ alloy. Our calculated lattice parameter, cohesive energy, and elastic constants of CuPd₃ are consistent with the available experimental and theoretical data. The results of elastic constants indicate that all these alloys are mechanically stable. Further mechanical behavior analysis shows that the additions of Cr, Fe, Co, and Ni could improve the hardness of CuPd₃ while V could well increase its ductility. Moreover, in order to evaluate the thermodynamic contribution of 3d-metals, the Debye temperature, phonon density of states, and vibrational entropy for CuMPd₆ alloy are also investigated.

Keywords: embedded-atom method lattice inversion CuMPd₆ alloys elasticity thermodynamic property

Received: 30 October 2012
Revised: 14 March 2013
Accepted manuscript online:

PACS:	34.20.-b	(Interatomic and intermolecular potentials and forces, potential energy surfaces for collisions)
	61.66.Dk	(Alloys )
	62.20.-x	(Mechanical properties of solids)

Fund: Project supported by the National Basic Research Program of China (Grant No. 2011CB606400).

Corresponding Authors: Huang Shuo
E-mail: shuogy@163.com

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Huang Shuo (黄烁), Zhang Chuan-Hui (张川晖), Sun Jing (孙婧), Shen Jiang (申江) The influence of 3d-metal alloy additions on the elastic and thermodynamic properties of CuPd₃ 2013 Chin. Phys. B 22 083401

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The influence of 3d-metal alloy additions on the elastic and thermodynamic properties of CuPd3

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The influence of 3d-metal alloy additions on the elastic and thermodynamic properties of CuPd₃