Point defect absorption by grain boundaries in α-iron by atomic density function modeling

O. Kapikranian; H. Zapolsky; R. Patte; C. Pareige; B. Radiguet; P. Pareige

首页> 外文期刊>Physical review >Point defect absorption by grain boundaries in α-iron by atomic density function modeling

【24h】

Point defect absorption by grain boundaries in α-iron by atomic density function modeling

机译：利用原子密度函数模型通过α-铁的晶界吸收点缺陷

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

Using the atomic density function theory (ADFT), we examine the point defect absorption at [110] symmetrical tilt grain boundaries in body-centered cubic iron. It is found that the sink strength strongly depends on misorientation angle. We also show that the ADFT is able to reproduce reasonably well the elastic properties and the point defect formation volume in a-iron.

机译：使用原子密度函数理论（ADFT），我们检查了体心立方铁中[110]对称倾斜晶界处的点缺陷吸收。发现沉陷强度很大程度上取决于取向差角。我们还表明，ADFT能够很好地再现a型铁的弹性和点缺陷形成量。

著录项

来源
《Physical review》 |2015年第22期|224106.1-224106.6|共6页
作者
O. Kapikranian; H. Zapolsky; R. Patte; C. Pareige; B. Radiguet; P. Pareige;
展开▼
作者单位

Groupe de Physique des Materiaux, Universite et INSA de Rouen, UMR CNRS 6634, Av. de l'universite, BP 12, 76801 Saint Etienne du Rouvray, France,ENSICAEN, 6 Bd Marechal Juin, 14050 Caen, France Institute for Condensed Matter Physics of the National Academy of Science of Ukraine, 79011 Lviv, Ukraine;

Groupe de Physique des Materiaux, Universite et INSA de Rouen, UMR CNRS 6634, Av. de l'universite, BP 12, 76801 Saint Etienne du Rouvray, France;

Groupe de Physique des Materiaux, Universite et INSA de Rouen, UMR CNRS 6634, Av. de l'universite, BP 12, 76801 Saint Etienne du Rouvray, France;

Groupe de Physique des Materiaux, Universite et INSA de Rouen, UMR CNRS 6634, Av. de l'universite, BP 12, 76801 Saint Etienne du Rouvray, France;

Groupe de Physique des Materiaux, Universite et INSA de Rouen, UMR CNRS 6634, Av. de l'universite, BP 12, 76801 Saint Etienne du Rouvray, France;

Groupe de Physique des Materiaux, Universite et INSA de Rouen, UMR CNRS 6634, Av. de l'universite, BP 12, 76801 Saint Etienne du Rouvray, France;

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类
关键词
theory of crystal structure, crystal symmetry; calculations and modeling; defects and impurities in crystals; microstructure; metals and alloys;

机译：晶体结构理论;晶体对称性;计算和建模;晶体中的缺陷和杂质;微观结构金属和合金;

相似文献

外文文献
中文文献
专利

1. Atomic structure of grain boundaries in iron modeled using the atomic density function [J] . O. Kapikranian, H. Zapolsky, C. Domain, Physical review . 2014,第1期

机译：用原子密度函数模拟铁中晶界的原子结构
2. On a correlation between hydrogen effects on atomic interactions and mobility of grain boundaries in the alpha-iron. Stage Ⅱ. Mobility of grain boundaries in the H-charged α-iron [J] . Teus S. M., Gavriljuk V. G. Materials Letters . 2020,第Jana15期

机译：氢对原子相互作用的影响与α-铁中晶界迁移率之间的相关性。
3. Atomic scale modeling of {110} twist grain boundaries in Î±-iron: Structure and energy properties [J] . J.B. Yanga* Y. Nagaib M. Hasegawaab Yu.N. Osetskyc Philosophical Magazine . 2010,第7a8期

机译：α-铁中{110}扭曲晶粒边界的原子尺度建模：结构和能量性质
4. Study of the Local Atomic Structure of Silver Ions in Silicate Glasses Based on X-Ray Absorption Spectroscopy and Computer Modeling by Using Density Functional Theory [C] . Venyamin Durymanov, Vasiliy Srabionyan, Galina Sukharina, International Scientific Conference of Young Scientists and Specialists . 2019

机译：基于X射线吸收光谱和使用密度函数理论的硅酸盐玻璃银离子局部原子结构研究
5. Atomic Scale Modeling of Fundamental Characteristics of Metal Anodes and Solid Electrolytes: Overpotentials, Elastic Properties, and Grain Boundary Transport [D] . Nagy, Kyle S. 2020

机译：金属阳极和固体电解质基本特征的原子尺度建模：超势，弹性性能和晶界传输
6. Atomic-level imaging of Mo-V-O complex oxide phase intergrowth grain boundaries and defects using HAADF-STEM [O] . William D. Pyrz, Douglas A. Blom, Masahiro Sadakane, 2010

机译：使用HAADF-STEM对Mo-V-O复合氧化物相共生晶界和缺陷进行原子级成像
7. Point defect absorption by grain boundaries in $\alpha$-iron by atomic density function modeling [O] . Kapikranian, O., Zapolsky, H., Patte, R., 2015

机译：通过原子在$ \ alpha $ -iron中通过晶界吸收点缺陷密度函数建模

Point defect absorption by grain boundaries in α-iron by atomic density function modeling

摘要

著录项

相似文献

相关主题

期刊订阅