Hydrogen clustering in bcc metals: Atomic origin and strong stress anisotropy
作者： Jie Hou , Xiang-Shan Kong , C.S. Liu , Jun Song
DOI: 10.1016/J.ACTAMAT.2020.09.048
关键词:
摘要: Hydrogen (H) induced damage in metals has been a longstanding woe for many industrial applications. One form of such damage is linked to H clustering, for which the atomic origin …
harvard.edu
arxiv.org 
sci-hub.st 参考文章(78)
Robert Johansson, Rajeev Ahuja, Olle Eriksson, Björgvin Hjörvarsson, Ralph H. Scheicher, Effect of uniaxial strain on the site occupancy of hydrogen in vanadium from density-functional calculations Scientific Reports. ,vol. 5, pp. 10301- 10301 ,(2015) , 10.1038/SREP10301
X. Chen, W. W. Gerberich, The kinetics and micromechanics of hydrogen assisted cracking in Fe-3 pct Si single crystals Metallurgical and Materials Transactions A-physical Metallurgy and Materials Science. ,vol. 22, pp. 59- 70 ,(1991) , 10.1007/BF03350949
De-Gang Xie, Zhang-Jie Wang, Jun Sun, Ju Li, Evan Ma, Zhi-Wei Shan, In situ study of the initiation of hydrogen bubbles at the aluminium metal/oxide interface Nature Materials. ,vol. 14, pp. 899- 903 ,(2015) , 10.1038/NMAT4336
H. Smithson, C. A. Marianetti, D. Morgan, A. Van der Ven, A. Predith, G. Ceder, First-principles study of the stability and electronic structure of metal hydrides Physical Review B. ,vol. 66, pp. 144107- ,(2002) , 10.1103/PHYSREVB.66.144107
G. Kresse, J. Hafner, Ab initio molecular dynamics for open-shell transition metals. Physical Review B. ,vol. 48, pp. 13115- 13118 ,(1993) , 10.1103/PHYSREVB.48.13115
P. E. Blöchl, Projector augmented-wave method Physical Review B. ,vol. 50, pp. 17953- 17979 ,(1994) , 10.1103/PHYSREVB.50.17953
D.J. Adams, Grand canonical ensemble Monte Carlo for a Lennard-Jones fluid Molecular Physics. ,vol. 29, pp. 307- 311 ,(1975) , 10.1080/00268977500100221
G.P.M. Leyson, Blazej Grabowski, Jörg Neugebauer, Multiscale description of dislocation induced nano-hydrides Acta Materialia. ,vol. 89, pp. 50- 59 ,(2015) , 10.1016/J.ACTAMAT.2015.01.057
Shinya Taketomi, Ryosuke Matsumoto, Noriyuki Miyazaki, Atomistic study of hydrogen distribution and diffusion around a {112} edge dislocation in alpha iron Acta Materialia. ,vol. 56, pp. 3761- 3769 ,(2008) , 10.1016/J.ACTAMAT.2008.04.011
Yuh Fukai, Formation of superabundant vacancies in M-H alloys and some of its consequences : a review Journal of Alloys and Compounds. ,vol. 356, pp. 263- 269 ,(2003) , 10.1016/S0925-8388(02)01269-0