Parametric Studies on Hydrogen Embrittlement in Liquified Hydrogen Tank using Molecular Dynamics Simulation

Song-Hyun Cha; Hyun-Seok Kim; Seonho Cho

doi:10.7734/COSEIK.2022.35.6.325

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2022 Vol.35, Issue 6 Next Page

Research Paper

Parametric Studies on Hydrogen Embrittlement in Liquified Hydrogen Tank using Molecular Dynamics Simulation 분자동역학을 이용한 액화수소 연료탱크의 수소취성화 파라메터 연구

31 December 2022. pp. 325-331

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Abstract

Hydrogen embrittlement in metals has been a serious issue with regard to structural safety. In this study, molecular dynamics simulations revealed that the aggregation of hydrogen atoms at the crack tips suppresses the dislocation emission and thus results in cleavage fracture. A series of molecular dynamics simulations were performed considering factors such as the concentration of hydrogen atoms, loading rate, and diffusion coefficient. We investigated the conditions that minimize hydrogen embrittlement. The simulation results were consistent with the experimental results and used to quantify hydrogen embrittlement.

Keywords

molecular dynamics

hydrogen embrittlement

dislocation emission

cleavage fracture

금속의 취성화는 수소와 접촉하는 구조물을 안정적으로 설계하는데 있어서 큰 문제가 되어왔다. 본 논문에서는 분자동역학 해석을 통해 균열선단 주변에 모인 수소원자들이 전위 이동 현상을 억제하고, 이로 인해 벽개 파괴 현상이 발생하는 것을 확인하였다. 다양한 수소 농도, 하중 속도, 수소 확산 속도 등을 바꾸어가며 분자동역학 해석을 수행하였고, 이에 따른 수소 취성화를 최소화시킬 수 있는 조건들을 조사하였다. 분자동역학 해석 결과는 기존의 실험결과와 잘 일치하였으며 이를 바탕으로 수소 취성화 현상을 정량화하여 평가하였다.

키워드

분자동역학

수소 취성화

전위 이동

벽개 파괴

References

Cha, S.-H., Ha, S.-H., Cho, S. (2014) Design Sensitivity Analysis of Coupled MD-Continuum Systems Using Bridging Scale Approach, J. Comput. Struct. Eng. Inst. Korea, 27(3), pp.137~145. 10.7734/COSEIK.2014.27.3.137

Matsumoto, R., Taketomi, S., Matsumoto, S., Miyazaki, N. (2009) Atomistic Simulations of Hydrogen Embrittlement, Int. J. Hydrog. Energy, 34(23), pp.9576~9584. 10.1016/j.ijhydene.2009.09.052

Ramasubramaniam, A., Itakura, M., Carter, E.A. (2009) Interatomic Potentials for Hydrogen in α-Iron based on Density Functional Theory, Phys. Rev. B, 79(17), 174101. 10.1103/PhysRevB.79.174101

Song, J., Curtin, W.A. (2013) Atomic Mechanism and Prediction of Hydrogen Embrittlement in Iron, Nat. Mater., 12(2), pp.145~151. 10.1038/nmat347923142843

Song, J., Curtin, W.A. (2011) A Nanoscale Mechanism of Hydrogen Embrittlement in Metals, Acta Mater., 59(4), pp.1557~1569. 10.1016/j.actamat.2010.11.019

Taketomi, S., Matsumoto, R., Miyazaki, N. (2010) Atomistic Study of the Effect of Hydrogen on Dislocation Emission from a Mode II Crack Tip in Alpha Iron, Int. J. Mech. Sci., 52(2), pp.334~338. 10.1016/j.ijmecsci.2009.09.042

Zhang, W. (2016) Evaluation of Susceptibility to Hydrogen Embrittlement - A Rising Step Load Testing Method, Mater. Sci. Appl., 7(08), pp.389~395. 10.4236/msa.2016.78035

Information

Publisher :Computational Structural Engineering Institute of Korea
Publisher(Ko) :한국전산구조공학회
Journal Title :Journal of the Computational Structural Engineering Institute of Korea
Journal Title(Ko) :한국전산구조공학회 논문집
Volume : 35
No :6
Pages :325-331
Received Date : 2022-08-29
Revised Date : 2022-11-03
Accepted Date : 2022-11-07
DOI :https://doi.org/10.7734/COSEIK.2022.35.6.325

Journal of the Computational Structural Engineering Institute of Korea ISSN:1229-3059(Print) 2287-2302(Online) 한국전산구조공학회 논문집

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