直接相关函数对双模晶体相场模型相图的影响  

Effect of the direct correlation function on phase diagram of the two-mode phase field crystal model

作　　者：郭灿[1] 王志军[1] 王锦程[1] 郭耀麟[1] 唐赛[1] 

机构地区：[1]西北工业大学,凝固技术国家重点实验室,西安710072

出　　处：《物理学报》2013年第10期411-418,共8页Acta Physica Sinica

基　　金：国家自然科学基金(批准号:51071128;51101124);国家重点基础研究发展计划(批准号:2011CB610401)资助的课题~~

摘　　要：研究了直接相关函数峰宽及k=0处峰对双模晶体相场模型相图的影响.结果表明,随着峰宽的增加,有序相的相区范围不断增大.而增大峰宽比可使体心立方(bcc)相区范围缩小,面心立方(fcc)相区范围大幅增加.直接相关函数k=0峰的引入则使相图被压缩,两相共存区变窄,液相稳定区域增加.Effects of the width of direct correlation function peak and the peak at k = 0 on the phase diagram for the two-mode phase field crystal model are examined carefully.The results indicate that increasing the width of direct correlation function peak will expand the stability region of the ordered phases;however,increasing the ratio of peak width will significantly increase the fcc phase region but reduce the bcc phase region.Adding a negative Gaussian peak at k = 0 to the two-mode approximate direct correlation function will compress the phase diagram and make the two-phase coexisting region narrow.

关 键 词：晶体相场模型 双模近似 相图 直接相关函数 

分 类 号：O73[理学—晶体学]