Recent developments in computational modelling of nucleation in phase transformations

作     者：Lei Zhang Weiqing Ren Amit Samanta Qiang Du 

作者机构：Beijing International Center for Mathematical ResearchCenter for Quantitative BiologyPeking UniversityBeijingChina Department of MathematicsNational University of SingaporeSingapore Institute of High Performance ComputingAgency for ScienceTechnology and ResearchSingapore Physics DivisionLawrence Livermore National LaboratoryLivermoreCAUSA Department of Applied Physics and Applied MathematicsColumbia UniversityNew YorkNYUSA 

出 版 物：《npj Computational Materials》 (计算材料学（英文）)

年 卷 期：2016年第2卷第1期

页      面：180-188页

核心收录：

学科分类：08[工学] 080502[工学-材料学] 0805[工学-材料科学与工程（可授工学、理学学位）] 

基　　金：supported by China NSFC No.11421110001 and 91430217 supported by AcRF Tier-1 grant R-146-000-216-112 the auspices of the U.S.Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 supported in part by NSF-DMS1318586 

主　　题：transformation phase bringing 

摘      要：Nucleation is one of the most common physical phenomena in physical,chemical,biological and materials *** to the complex multiscale nature of various nucleation events and the difficulties in their direct experimental observation,development of effective computational methods and modeling approaches has become very important and is bringing new light to the study of this challenging *** discussions in this manuscript provide a sampler of some newly developed numerical algorithms that are widely applicable to many nucleation and phase transformation *** first describe some recent progress on the design of efficient numerical methods for computing saddle points and minimum energy paths,and then illustrate their applications to the study of nucleation events associated with several different physical systems.