Origin of hydrogen embrittlement in vanadium-based hydrogen separation membranes

被引:28
作者
Ko, Won-Seok [1 ]
Jeon, Jong Bae [1 ]
Shim, Jae-Hyeok [2 ]
Lee, Byeong-Joo [1 ,3 ]
机构
[1] Pohang Univ Sci & Technol POSTECH, Dept Mat Sci & Engn, Pohang 790784, South Korea
[2] Korea Inst Sci & Technol, High Temp Energy Mat Res Ctr, Seoul 136791, South Korea
[3] Pohang Univ Sci & Technol POSTECH, Div Adv Nucl Engn, Pohang 790784, South Korea
关键词
Hydrogen separation membrane; Hydrogen embrittlement; Vanadium-hydrogen; Atomistic simulation; Modified embedded-atom method; ASSISTED CRACKING; NICKEL-ALLOYS; H SYSTEM; FRACTURE; METALS; DEFORMATION; DISLOCATION; NUCLEATION; DIFFUSION; DEFECTS;
D O I
10.1016/j.ijhydene.2012.06.075
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Hydrogen embrittlement in metals is a challenging technical issue in the proper use of hydrogen energy. Despite extensive investigations, the underlying mechanism has not been clearly understood. Using atomistic simulations, we focused on the hydrogen embrittlement in vanadium-based hydrogen separation membrane. We found that, contrary to the conventional reasoning for the embrittlement of vanadium, the hydrogen-enhanced localized plasticity (HELP) mechanism is the most promising mechanism. Hydrogen enhances the nucleation of dislocations near the crack tip, which leads to the localized plasticity, and eventually enhances the void nucleation that leads to the failure. Those results provide an insight into the complex atomic scale process of hydrogen embrittlement in vanadium and also help us design a new alloy for hydrogen separation membranes. Copyright (C) 2012, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
引用
收藏
页码:13583 / 13593
页数:11
相关论文
共 42 条
[1]   MODIFIED EMBEDDED-ATOM POTENTIALS FOR CUBIC MATERIALS AND IMPURITIES [J].
BASKES, MI .
PHYSICAL REVIEW B, 1992, 46 (05) :2727-2742
[2]  
BASTIEN P, 1951, CR HEBD ACAD SCI, V232, P1845
[3]  
BEACHEM CD, 1972, METALL TRANS, V3, P437
[4]   HYDROGEN-ENHANCED LOCALIZED PLASTICITY - A MECHANISM FOR HYDROGEN-RELATED FRACTURE [J].
BIRNBAUM, HK ;
SOFRONIS, P .
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 1994, 176 (1-2) :191-202
[5]   EFFECT OF HYDROGEN ON FATIGUE CRACK-PROPAGATION IN VANADIUM [J].
CHUNG, DW ;
STOLOFF, NS .
METALLURGICAL TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE, 1978, 9 (01) :71-78
[6]   Non-Pd BCC alloy membranes for industrial hydrogen separation [J].
Dolan, M. D. .
JOURNAL OF MEMBRANE SCIENCE, 2010, 362 (1-2) :12-28
[7]  
Faken D., 1994, Computational Materials Science, V2, P279, DOI 10.1016/0927-0256(94)90109-0
[8]  
Farkas D, 2000, PHILOS MAG A, V80, P1425, DOI 10.1080/01418610008212128
[9]  
Frenkel D., 1996, Understanding Molecular Simulation: from Algorithms to Applications
[10]   DUCTILE FRACTURE [J].
GARRISON, WM ;
MOODY, NR .
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1987, 48 (11) :1035-1074