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

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

中国物理B ›› 2013, Vol. 22 ›› Issue (8): 83401-083401.doi: 10.1088/1674-1056/22/8/083401

• ATOMIC AND MOLECULAR PHYSICS • 上一篇下一篇

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

黄烁, 张川晖, 孙婧, 申江

Department of Physics, University of Science and Technology Beijing, Beijing 100083, China

收稿日期:2012-10-30 修回日期:2013-03-14 出版日期:2013-06-27 发布日期:2013-06-27
基金资助:
Project supported by the National Basic Research Program of China (Grant No. 2011CB606400).

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

Received:2012-10-30 Revised:2013-03-14 Online:2013-06-27 Published:2013-06-27
Contact: Huang Shuo E-mail:shuogy@163.com
Supported by:
Project supported by the National Basic Research Program of China (Grant No. 2011CB606400).

摘要/Abstract

摘要： 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.

关键词: embedded-atom method, lattice inversion, CuMPd₆ alloys, elasticity, thermodynamic property

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.

Key words: embedded-atom method, lattice inversion, CuMPd₆ alloys, elasticity, thermodynamic property

中图分类号: (Interatomic and intermolecular potentials and forces, potential energy surfaces for collisions)

34.20.-b

61.66.Dk (Alloys ) 62.20.-x (Mechanical properties of solids)

黄烁, 张川晖, 孙婧, 申江. The influence of 3d-metal alloy additions on the elastic and thermodynamic properties of CuPd₃[J]. 中国物理B, 2013, 22(8): 83401-083401.

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[J]. Chin. Phys. B, 2013, 22(8): 83401-083401.

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

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

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