Role of defective icosahedra in undercooled copper

被引:27
|
作者
Celino, Massimo
Rosato, Vittorio
Di Cicco, Andrea
Trapananti, Angela
Massobrio, Carlo
机构
[1] Ctr Ric Casaccia, ENEA, Ente Nuove Tecnol Energia & Ambiente, I-00100 Rome, Italy
[2] Univ Paris 06, IMPMC, CNRS, IPGP, F-75015 Paris, France
[3] Univ Paris 07, F-75221 Paris, France
[4] European Synchrotron Radiat Facil, F-38043 Grenoble, France
[5] Inst Phys & Chim Mat Strasbourg, F-67034 Strasbourg 2, France
来源
PHYSICAL REVIEW B | 2007年 / 75卷 / 17期
关键词
D O I
10.1103/PhysRevB.75.174210
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We elucidate the role played by defective icosahedra on the stability of undercooled copper by using molecular-dynamics simulations. Our approach is substantiated by the level of agreement with experiments on a variety of structural properties. We show that not only perfect but also defective icosahedra, embedded in a disordered matrix, lower the local cohesive energy. This has the effect of stabilizing the liquid structure against crystallization. Our work rationalizes experimental findings by identifying the nature of those icosahedral subunits that contribute to the stability of the undercooled liquid.
引用
收藏
页数:5
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