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Chin. Phys. B, 2013, Vol. 22(8): 083401    DOI: 10.1088/1674-1056/22/8/083401
ATOMIC AND MOLECULAR PHYSICS Prev   Next  

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

Huang Shuo (黄烁), Zhang Chuan-Hui (张川晖), Sun Jing (孙婧), Shen Jiang (申江)
Department of Physics, University of Science and Technology Beijing, Beijing 100083, China
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

Cite this article: 

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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