Interpreting radiation-induced segregation and enhanced radiation tolerance of single-phase concentrated solid-solution alloys from first principles

被引:7
作者
Wang, Xin-Xin [1 ,2 ]
Niu, Liang-Liang [3 ]
Wang, Shaoqing [1 ]
机构
[1] Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China
[2] Univ Sci & Technol China, Sch Mat Sci & Engn, Hefei 230026, Peoples R China
[3] Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA
基金
国家重点研发计划; 中国国家自然科学基金;
关键词
Simulation and modelling; Microstructure; First principles; Interstitial defects; Single-phase concentrated solid-solution alloy; DEFECT EVOLUTION; CLUSTERS; MOBILITY; POINTS; NI;
D O I
10.1016/j.matlet.2017.05.051
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Most recently, a host of irradiation experiments conducted on single-phase concentrated solid-solution alloys has been lacking interpretations from first principles. Here, the formation energetics and migration kinetics of interstitial defects in pure Ni and two Ni-based alloys (NiCo and NiFe) have been investigated by first principles calculations, based on which we are able to provide significant insights into two key aspects of experimental observations concerning the radiation-induced segregation and the enhanced radiation tolerance. (C) 2017 Elsevier B.V. All rights reserved.
引用
收藏
页码:120 / 122
页数:3
相关论文
共 19 条
[1]   Point defect evolution in Ni, NiFe and NiCr alloys from atomistic simulations and irradiation experiments [J].
Aidhy, Dilpuneet S. ;
Lu, Chenyang ;
Jin, Ke ;
Bei, Hongbin ;
Zhang, Yanwen ;
Wang, Lumin ;
Weber, William J. .
ACTA MATERIALIA, 2015, 99 :69-76
[2]   PROJECTOR AUGMENTED-WAVE METHOD [J].
BLOCHL, PE .
PHYSICAL REVIEW B, 1994, 50 (24) :17953-17979
[3]   A fracture-resistant high-entropy alloy for cryogenic applications [J].
Gludovatz, Bernd ;
Hohenwarter, Anton ;
Catoor, Dhiraj ;
Chang, Edwin H. ;
George, Easo P. ;
Ritchie, Robert O. .
SCIENCE, 2014, 345 (6201) :1153-1158
[4]   Mechanism of Radiation Damage Reduction in Equiatomic Multicomponent Single Phase Alloys [J].
Granberg, F. ;
Nordlund, K. ;
Ullah, Mohammad W. ;
Jin, K. ;
Lu, C. ;
Bei, H. ;
Wang, L. M. ;
Djurabekova, F. ;
Weber, W. J. ;
Zhang, Y. .
PHYSICAL REVIEW LETTERS, 2016, 116 (13)
[5]   Mechanisms of radiation-induced segregation in CrFeCoNi-based single-phase concentrated solid solution alloys [J].
He, Mo-Rigen ;
Wang, Shuai ;
Shi, Shi ;
Jin, Ke ;
Bei, Hongbin ;
Yasuda, Kazuhiro ;
Matsumura, Syo ;
Higashida, Kenji ;
Robertson, Ian M. .
ACTA MATERIALIA, 2017, 126 :182-193
[6]   A climbing image nudged elastic band method for finding saddle points and minimum energy paths [J].
Henkelman, G ;
Uberuaga, BP ;
Jónsson, H .
JOURNAL OF CHEMICAL PHYSICS, 2000, 113 (22) :9901-9904
[7]   Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set [J].
Kresse, G ;
Furthmuller, J .
PHYSICAL REVIEW B, 1996, 54 (16) :11169-11186
[8]   Metastable high-entropy dual-phase alloys overcome the strength-ductility trade-off [J].
Li, Zhiming ;
Pradeep, Konda Gokuldoss ;
Deng, Yun ;
Raabe, Dierk ;
Tasan, Cemal Cem .
NATURE, 2016, 534 (7606) :227-+
[9]   Radiation-induced segregation on defect clusters in single-phase concentrated solid-solution alloys [J].
Lu, Chenyang ;
Yang, Taini ;
Jin, Ke ;
Gao, Ning ;
Xiu, Pengyuan ;
Zhang, Yanwen ;
Gao, Fei ;
Bei, Hongbin ;
Weber, William J. ;
Sun, Kai ;
Dong, Yan ;
Wang, Lumin .
ACTA MATERIALIA, 2017, 127 :98-107
[10]   Enhancing radiation tolerance by controlling defect mobility and migration pathways in multicomponent single-phase alloys [J].
Lu, Chenyang ;
Niu, Liangliang ;
Chen, Nanjun ;
Jin, Ke ;
Yang, Taini ;
Xiu, Pengyuan ;
Zhang, Yanwen ;
Gao, Fei ;
Bei, Hongbin ;
Shi, Shi ;
He, Mo-Rigen ;
Robertson, Ian M. ;
Weber, William J. ;
Wang, Lumin .
NATURE COMMUNICATIONS, 2016, 7