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晶界偏析引起的润湿和结构转变:蒙特卡洛研究

Wetting and structural transition induced by segregation at grain boundaries: a monte carlo study.

作者信息

Creuze J, Berthier F, Tétot R, Legrand B

机构信息

LEMHE, UMR 8647 CNRS, Université Paris-Sud, F 91405 Orsay Cedex, France.

出版信息

Phys Rev Lett. 2001 Jun 18;86(25):5735-8. doi: 10.1103/PhysRevLett.86.5735.

DOI:10.1103/PhysRevLett.86.5735
PMID:11415345
Abstract

Wetting of the Sigma = 5 (310) <001> symmetrical tilt grain boundary (GB) close to the solubility limit in the Cu(Ag) solid solution has been observed by means of Monte Carlo simulations at T = 600 K. More precisely, a finite thickness film almost pure in Ag, separating the two initial Cu(Ag) grains, can be obtained from a critical intergranular germ induced by the strong segregation of Ag in the GB. As this film is actually a single crystal, this implies a complete rearrangement of the GB core structure. Thus the initial GB is replaced by two Cu(Ag)/Ag(Cu) interfaces. Evidence is presented for the increase of the film thickness when approaching the solubility limit, as expected in wetting phenomena.

摘要

通过在T = 600 K下的蒙特卡罗模拟,观察到了西格玛= 5(310)<001>对称倾斜晶界(GB)在接近Cu(Ag)固溶体溶解度极限时的润湿性。更确切地说,由GB中Ag的强烈偏析引起的临界晶间胚芽可以形成几乎纯Ag的有限厚度薄膜,该薄膜分隔了两个初始的Cu(Ag)晶粒。由于该薄膜实际上是单晶,这意味着GB核心结构的完全重排。因此,初始GB被两个Cu(Ag)/ Ag(Cu)界面所取代。如润湿性现象所预期的那样,有证据表明当接近溶解度极限时薄膜厚度会增加。

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