摘要
双模晶体相场模型是研究复杂晶体结构相变的重要方法。分别介绍了Kuo-An Wu和Greenwood提出的两种双模晶体相场模型,简述了两种模型各自的构造特点:Kuo-An Wu通过在模型中多引入一族倒易矢量来描述复杂晶体结构,Greenwood则通过在自由能函数中引入多峰和构造两点直接相关函数来完成,两者都在模拟三角结构相向正方结构相的转变中得到了广泛应用;进一步指出了Kuo-An Wu模型相转变的影响因素及高斯峰对Greenwood模型相图的影响;最后指明了晶体相场在相变模拟研究中的发展方向。
The two-mode phase field crystal model is an important approach for phase transformations research of complex crystal structural.The two-mode phase field crystal models which were proposed by Kuo-An Wu and Greenwood and their characteristics,are introduced respectively.Kuo-An Wu model controlled complex crystal structures by introducing another reciprocal vector and Greenwood model accomplished this by introducing a class of multipeaked,two-point direct correlation functions in the free energy functional,and they are both well applied in the phase transformation process from triangular phase structure to square phase structure.Also the influence factor in phase transformation of the Kuo-An Wu model as well as the influence of Gauss peak to phase diagram of Greenwood model is pointed out.Finally the future research directions of the two-mode phase field crystal model in simulating structural phase transformations are pointed out as well.
出处
《材料导报》
EI
CAS
CSCD
北大核心
2014年第7期134-138,144,共6页
Materials Reports
基金
国家自然科学基金(51174168
51274167)
西南工业大学基础研究基金(NPU-FFR-JC20120222)
关键词
晶体相场模型
双模
相图
相变
phase field crystal model
two-mode
phase diagram
phase transformations
