Predicting phase behavior of grain boundaries with evolutionary search and machine learning
出版年份 2018 全文链接
标题
Predicting phase behavior of grain boundaries with evolutionary search and machine learning
作者
关键词
-
出版物
Nature Communications
Volume 9, Issue 1, Pages -
出版商
Springer Nature
发表日期
2018-01-26
DOI
10.1038/s41467-018-02937-2
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Grain-boundary metastability and its statistical properties
- (2016) Jian Han et al. ACTA MATERIALIA
- Nonequilibrium free-energy calculation of solids using LAMMPS
- (2016) Rodrigo Freitas et al. COMPUTATIONAL MATERIALS SCIENCE
- The role of grain boundary energy in grain boundary complexion transitions
- (2016) Gregory S. Rohrer CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE
- Layering transitions at grain boundaries
- (2016) J.M. Rickman et al. CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE
- The importance of grain boundary complexions in affecting physical properties of polycrystals
- (2016) Shen J. Dillon et al. CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE
- Phase transformations at interfaces: Observations from atomistic modeling
- (2016) T. Frolov et al. CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE
- Exploring the free energy surface using ab initio molecular dynamics
- (2016) Amit Samanta et al. JOURNAL OF CHEMICAL PHYSICS
- Grain-boundary layering transitions and phonon engineering
- (2016) J.M. Rickman et al. SURFACE SCIENCE
- Report on the sixth blind test of organic crystal structure prediction methods
- (2016) Anthony M. Reilly et al. Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials
- Segregation-induced phase transformations in grain boundaries
- (2015) T. Frolov et al. PHYSICAL REVIEW B
- Generalized evolutionary metadynamics for sampling the energy landscapes and its applications
- (2015) Qiang Zhu et al. PHYSICAL REVIEW B
- Understanding Anharmonicity in fcc Materials: From its Origin toab initioStrategies beyond the Quasiharmonic Approximation
- (2015) A. Glensk et al. PHYSICAL REVIEW LETTERS
- The mechanism of crystal deformation
- (2015) W. D. Kaplan SCIENCE
- Linear complexions: Confined chemical and structural states at dislocations
- (2015) M. Kuzmina et al. SCIENCE
- Non-Arrhenius behavior of grain growth in strontium titanate: New evidence for a structural transition of grain boundaries
- (2015) Wolfgang Rheinheimer et al. SCRIPTA MATERIALIA
- Predicting polymeric crystal structures by evolutionary algorithms
- (2014) Qiang Zhu et al. JOURNAL OF CHEMICAL PHYSICS
- Interface Structure Prediction from First-Principles
- (2014) Xin Zhao et al. Journal of Physical Chemistry C
- Predicting interface structures: FromSrTiO3to graphene
- (2014) Georg Schusteritsch et al. PHYSICAL REVIEW B
- First-principles study of bismuth films at transition-metal grain boundaries
- (2014) Qin Gao et al. PHYSICAL REVIEW B
- Semimetallic Two-Dimensional Boron Allotrope with Massless Dirac Fermions
- (2014) Xiang-Feng Zhou et al. PHYSICAL REVIEW LETTERS
- Clustering by fast search and find of density peaks
- (2014) A. Rodriguez et al. SCIENCE
- Grain boundary complexions
- (2013) Patrick R. Cantwell et al. ACTA MATERIALIA
- Evolutionary method for predicting surface reconstructions with variable stoichiometry
- (2013) Qiang Zhu et al. PHYSICAL REVIEW B
- Effect of Interface Phase Transformations on Diffusion and Segregation in High-Angle Grain Boundaries
- (2013) T. Frolov et al. PHYSICAL REVIEW LETTERS
- Grain-boundary layering transitions in a model bicrystal
- (2013) J.M. Rickman et al. SURFACE SCIENCE
- Structural phase transformations in metallic grain boundaries
- (2013) Timofey Frolov et al. Nature Communications
- New developments in evolutionary structure prediction algorithm USPEX
- (2012) Andriy O. Lyakhov et al. COMPUTER PHYSICS COMMUNICATIONS
- Thermodynamics of coherent interfaces under mechanical stresses. I. Theory
- (2012) T. Frolov et al. PHYSICAL REVIEW B
- Diffusion and segregation of silver in copperΣ5(310) grain boundary
- (2012) Sergiy V. Divinski et al. PHYSICAL REVIEW B
- How Evolutionary Crystal Structure Prediction Works—and Why
- (2011) Artem R. Oganov et al. ACCOUNTS OF CHEMICAL RESEARCH
- Dislocation-Pairing Transitions in Hot Grain Boundaries
- (2011) David L. Olmsted et al. PHYSICAL REVIEW LETTERS
- Nanometer-Thick Equilibrium Films: The Interface Between Thermodynamics and Atomistics
- (2011) M. Baram et al. SCIENCE
- The Phase Behavior of Interfaces
- (2011) M. P. Harmer SCIENCE
- The Role of a Bilayer Interfacial Phase on Liquid Metal Embrittlement
- (2011) J. Luo et al. SCIENCE
- How to predict very large and complex crystal structures
- (2010) Andriy O. Lyakhov et al. COMPUTER PHYSICS COMMUNICATIONS
- A genetic algorithm for predicting the structures of interfaces in multicomponent systems
- (2010) Alvin L.-S. Chua et al. NATURE MATERIALS
- Finding the low-energy structures of Si[001] symmetric tilted grain boundaries with a genetic algorithm
- (2009) Jian Zhang et al. PHYSICAL REVIEW B
- Temperature dependence of the surface free energy and surface stress: An atomistic calculation for Cu(110)
- (2009) T. Frolov et al. PHYSICAL REVIEW B
- Accurate determination of crystal structures based on averaged local bond order parameters
- (2008) Wolfgang Lechner et al. JOURNAL OF CHEMICAL PHYSICS
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