Irregular phenomenon induced by Ag atomic segregation during the heating process of Ag–Pd cluster

doi:10.1088/1674-1056/19/11/113604

中国物理B ›› 2010, Vol. 19 ›› Issue (11): 113604-114203.doi: 10.1088/1674-1056/19/11/113604

• ATOMIC AND MOLECULAR PHYSICS • 上一篇下一篇

Irregular phenomenon induced by Ag atomic segregation during the heating process of Ag–Pd cluster

肖绪洋

School of Electronics Engineering, Chongqing University of Arts and Sciences, Chongqing 402160, China

收稿日期:2010-04-10 修回日期:2010-04-30 出版日期:2010-11-15 发布日期:2010-11-15
基金资助:
Project supported by Chongqing Committee of Education of China (Grant No. KJ081208).

Irregular phenomenon induced by Ag atomic segregation during the heating process of Ag–Pd cluster

Xiao Xu-Yang(肖绪洋)^†

School of Electronics Engineering, Chongqing University of Arts and Sciences, Chongqing 402160, China

Received:2010-04-10 Revised:2010-04-30 Online:2010-11-15 Published:2010-11-15
Supported by:
Project supported by Chongqing Committee of Education of China (Grant No. KJ081208).

摘要/Abstract

摘要： This paper studies the melting of icosahedral Ag-Pd bimetallic clusters by using molecular dynamics with the embedded atom method. It finds that the mixed Ag-Pd cluster shows an irregular phenomenon before melting, i.e., the atomic energy decreases with the increase of temperature. It indicates that the segregation of Ag atoms results in this phenomenon by analysing atomic radius distribution. Since the surface energy of Ag is lower than that of Pd, this leads to the result that the decreased energy by the Ag atomic segregation is larger than the increased energy by the heating. This provides a new method to obtain irregular thermodynamic properties.

Abstract: This paper studies the melting of icosahedral Ag–Pd bimetallic clusters by using molecular dynamics with the embedded atom method. It finds that the mixed Ag–Pd cluster shows an irregular phenomenon before melting, i.e., the atomic energy decreases with the increase of temperature. It indicates that the segregation of Ag atoms results in this phenomenon by analysing atomic radius distribution. Since the surface energy of Ag is lower than that of Pd, this leads to the result that the decreased energy by the Ag atomic segregation is larger than the increased energy by the heating. This provides a new method to obtain irregular thermodynamic properties.

Key words: bimetallic cluster, heating, Ag–Pd, molecular dynamics

中图分类号: (Solid-liquid transitions)

64.70.D-

64.75.-g (Phase equilibria) 68.35.Md (Surface thermodynamics, surface energies)

肖绪洋. Irregular phenomenon induced by Ag atomic segregation during the heating process of Ag–Pd cluster[J]. 中国物理B, 2010, 19(11): 113604-114203.

Xiao Xu-Yang(肖绪洋). Irregular phenomenon induced by Ag atomic segregation during the heating process of Ag–Pd cluster[J]. Chin. Phys. B, 2010, 19(11): 113604-114203.

参考文献 14

[1]	Ferrando R, Jellinek J and Johnston R L 2008 Chem. Rev. 108 845
[2]	Wang G H 2003 Cluster Physics (Shanghai: Shanghai Science and Technology Press) (in Chinese)
[3]	Mottet C, Rossi G, Baletto F and Ferrando R 2005 Phys. Rev. Lett. 95 035501
[4]	Li G J, Wang Q, Li D G, L"u X and He J C 2009 Mater. Chem. Phys. 114 746
[5]	Cheng D J and Cao D P 2008 Chem. Phys. Lett. 461 71
[6]	Li G J, Wang Q, Liu T, Li D G, L"u X and He J C 2009 it Chin. Phys. Lett. 26 036104
[7]	Kim D H, Kim H Y, Kim H G, Ryu J H and Lee H M 2008 J. Phys.: Condens. Matter 20 035208
[8]	Wang Q, Li G J, Li D G, L"u X and He J C 2009 Chin. Phys. B 18 1843
[9]	Li G J, Liu T, Wang Q, L"u X, Wang K and He J C 2010 it Phys. Lett. A 374 1769
[10]	Nanda K K, Sahu S N and Behera S N 2002 Phys. Rev. A bf 66 013208
[11]	Wadley H N G, Zhou X, Johnson R A and Neurock M 2001 Prog. Mater. Sci. 46 329
[12]	Zhou X W, Wadley H N G, Johnson R A, Larson D J, Tabat N, Cerezo A, Petford-Long A K, Smith G D W, Clifton P H, Martens R L and Kelly T F 2001 Acta Mater. 49 4005
[13]	Chen F Y and Johnston R L 2008 Appl. Phys. Lett. 92 023112
[14]	Li G J, Wang Q, Li H T, Wang K and He J C 2008 Chin. Phys. B 17 3343

[1]	Xuanhao Fu(傅宣豪) and Xin Zhou(周昕). Different roles of surfaces' interaction on lattice mismatched/matched surfaces in facilitating ice nucleation[J]. 中国物理B, 2023, 32(2): 28202-028202.
[2]	Tian-Shou Liang(梁添寿), Peng-Peng Shi(时朋朋), San-Qing Su(苏三庆), and Zhi Zeng(曾志). Learning physical states of bulk crystalline materials from atomic trajectories in molecular dynamics simulation[J]. 中国物理B, 2022, 31(12): 126402-126402.
[3]	Li-Ping Wang(王利平), Wei-Liang Kong(孔维梁), Pei-Xiang Bian(边佩翔), Fu-Xin Wang(王福新), and Hong Liu(刘洪). Suppression of ice nucleation in supercooled water under temperature gradients[J]. 中国物理B, 2021, 30(6): 68203-068203.
[4]	黄晓, 曹则贤, 王强. The universal characteristic water content of aqueous solutions[J]. 中国物理B, 2019, 28(6): 65101-065101.
[5]	白晓军, 汪姚岑, 曹崇德. Metastable phase separation and rapid solidification of undercooled Co₄₀Fe₄₀Cu₂₀ alloy[J]. 中国物理B, 2018, 27(11): 116402-116402.
[6]	郭伟, 赵立山, 高欣, 曹则贤, 王强. Accurate quantification of hydration number for polyethylene glycol molecules[J]. 中国物理B, 2018, 27(5): 55101-055101.
[7]	龙飞沄, 刘海涛, 李大芳, 颜君. Equation of state for warm dense lithium: A first principles investigation[J]. 中国物理B, 2017, 26(6): 65101-065101.
[8]	赵立山, 潘礼庆, 纪爱玲, 曹则贤, 王强. Recrystallization of freezable bound water in aqueous solutions of medium concentrations[J]. 中国物理B, 2016, 25(7): 75101-075101.
[9]	李晨辉, 韩秀君, 栾英伟, 李建国. Structural origin underlying the effect of cooling rate on solidification point[J]. 中国物理B, 2015, 24(11): 116101-116101.
[10]	姬小建, 陈明文, 徐小花, 王自东. Effect of far-field flow on a columnar crystal in the convective undercooled melt[J]. , 2015, 24(1): 16401-016401.
[11]	魏恩泊, 纪艳菊, 张军. Modeling effective viscosity reduction behaviour of solid suspensions[J]. Chin. Phys. B, 2012, 21(12): 126601-126601.
[12]	曹斌, 林鑫, 王猛, 黄卫东 . The effect of two-dimensional shear flow on the stability of a crystal interface in the supercooled melt[J]. 中国物理B, 2012, 21(8): 86401-086401.
[13]	曹斌,林鑫,王猛,黄卫东. Linear stability analysis on a spherical particle growing from a binary melt under the far-field flow[J]. 中国物理B, 2012, 21(5): 56401-056401.
[14]	赵世贵, 王保成, 孙权. Effect of physical disturbance on the structure of needle coke[J]. 中国物理B, 2010, 19(10): 108101-108101.
[15]	王志军, 王锦程, 杨根仓. Discussions on the non-equilibrium effects in the quantitative phase field model of binary alloys[J]. 中国物理B, 2010, 19(7): 78101-078101.

Irregular phenomenon induced by Ag atomic segregation during the heating process of Ag–Pd cluster

Irregular phenomenon induced by Ag atomic segregation during the heating process of Ag–Pd cluster

PDF (PC)

赞

可视化

摘要/Abstract

引用本文

使用本文

参考文献 14

相关文章 15

Metrics

本文评价

推荐阅读 0