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[1]贾明汭,张认认,李新宏,等.氢气输送管道微观失效的分子动力学仿真研究*[J].中国安全生产科学技术,2023,19(9):123-128.[doi:10.11731/j.issn.1673-193x.2023.09.018]
　JIA Mingrui,ZHANG Renren,LI Xinhong,et al.Molecular dynamics simulation study on microscopic failure of hydrogen pipeline[J].JOURNAL OF SAFETY SCIENCE AND TECHNOLOGY,2023,19(9):123-128.[doi:10.11731/j.issn.1673-193x.2023.09.018]
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氢气输送管道微观失效的分子动力学仿真研究*
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《中国安全生产科学技术》[ISSN:1673-193X/CN:11-5335/TB]

卷:
19
期数:
2023年9期
页码:
123-128
栏目:
职业安全卫生管理与技术
出版日期:
2023-09-30

文章信息/Info

Title:
Molecular dynamics simulation study on microscopic failure of hydrogen pipeline
文章编号:
1673-193X(2023)-09-0123-06
作者:
贾明汭; 张认认; 李新宏; 刘亚洲; 韩子月
（1.西安建筑科技大学 资源工程学院，陕西 西安 710055；
2.西安建筑科技大学 机电工程学院，陕西 西安 710055）
Author(s):
JIA Mingrui;  ZHANG Renren;  LI Xinhong;  LIU Yazhou;  HAN Ziyue
（1.School of Resource Engineering,Xi’an University of Architecture and Technology,Xi’an Shaanxi 710055,China;
2.School of Mechanical Engineering,Xi’an University of Architecture and Technology,Xi’an Shaanxi 710055,China）
关键词:
分子动力学; 氢气输送管道; 力学性能; 共近邻分析; 微观失效
Keywords:
molecular dynamics;  hydrogen pipeline;  mechanical property;  common neighbor analysis;  microscopic failure
分类号:
X937
DOI:
10.11731/j.issn.1673-193x.2023.09.018
文献标志码:
A
摘要:
为保证氢气输送管道服役的安全性，从微观角度研究氢气环境中管线钢发生失效行为的内在机理以及典型力学性能的变化规律。通过分子动力学模拟方法对不同氢原子浓度下的α-铁模拟体系的微观失效行为进行研究，揭示微观状态下管线钢原子之间的力学性能及失效机理，并对模拟体系进行共近邻分析，观察和分析拉伸加载过程中α-铁模拟体系晶体结构的变化规律。研究结果表明：在拉伸过程中，随着掺入氢原子的浓度增大，体系的抗拉强度、杨氏模量及最大应力处应变普遍降低，α-铁体系更容易发生失效；同时，BCC结构的转变是α-铁体系发生失效的主要原因。研究结果有助于深入理解氢致管道微观失效机理，为保障氢气输送安全提供理论参考。
Abstract:
To ensure the safety of hydrogen pipeline service,the inherent mechanism of failure behavior and the change law of typical mechanical properties of pipeline steel in the hydrogen environment were studied from the microscopic perspective.The microscopic failure behavior of α-iron simulation system under different hydrogen atom concentrations was studied by molecular dynamics (MD) simulation,and the mechanical properties and failure mechanism of pipeline steel atoms in microscopic state were revealed.The common neighbor analysis (CNA) was used to observe and analyze the variation of crystal structure of the α-iron simulation system during the tensile loading process.The results show that the tensile strength,Young’s modulus and strain at the maximum stress of the system generally decrease with the increase of the concentration of hydrogen atoms in the tensile process.The failure of α-iron system is mainly caused by the transformation of BCC structure.The research results are helpful to understand the microscopic failure mechanism of hydrogen-induced pipelines and provide a theoretical reference for ensuring the safety of hydrogen transportation.

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备注/Memo

备注/Memo:
收稿日期： 2023-04-25
* 基金项目： 陕西省高校科协青年人才托举计划项目(20220429)
作者简介： 贾明汭，硕士研究生，主要研究方向为氢气输送管道安全与风险防控。
通信作者： 张认认，硕士，助理工程师，主要研究方向为油气管柱/道安全可靠性评估。
更新日期/Last Update: 2023-10-12