Advanced search
Publication Cover
Philosophical Magazine Volume 92, 2012 - Issue 11
Submit an article Journal homepage
794
Views
60
CrossRef citations to date
0
Altmetric
Part A: Materials Science

Mobile effect of hydrogen on intergranular decohesion of iron: first-principles calculations

Masatake Yamaguchi Center for Computational Science and e-Systems, Japan Atomic Energy Agency, Tokai-mura, Ibaraki 319-1195, JapanCorrespondence[email protected]
,
Jun Kameda New Industry Creation Hatchery Center, Tohoku University, 6-6-10 Aoba, Aramaki, Aoba-ku Sendai 980-8579, Japan
,
Ken-Ichi Ebihara Center for Computational Science and e-Systems, Japan Atomic Energy Agency, Tokai-mura, Ibaraki 319-1195, Japan
,
Mitsuhiro Itakura Center for Computational Science and e-Systems, Japan Atomic Energy Agency, Tokai-mura, Ibaraki 319-1195, Japan
&
Hideo Kaburaki Center for Computational Science and e-Systems, Japan Atomic Energy Agency, Tokai-mura, Ibaraki 319-1195, Japan
Pages 1349-1368 | Received 19 Oct 2011, Accepted 23 Nov 2011, Published online: 16 Jan 2012

Citations (60)

Keep up to date with the latest research on this topic with citation updates for this article.

Subscribe to citation updates

Read on this site (3)

Wenhao He, Xing Gao, Liangfu Zhou, Dongyan Yang, Zhiguang Wang, Juntao Liu, Zhiyi Liu & Yuhong Li. (2021) First-principles investigation of grain boundary structure effects on hydrogen solubility and segregation in tungsten. Journal of Nuclear Science and Technology 58:2, pages 207-217.
Read now
Akinobu Shibata, Yuji Momotani, Tamotsu Murata, Takahiro Matsuoka, Mizuki Tsuboi & Nobuhiro Tsuji. (2017) Microstructural and crystallographic features of hydrogen-related fracture in lath martensitic steels. Materials Science and Technology 33:13, pages 1524-1532.
Read now
Masatake Yamaguchi & Jun Kameda. (2014) Multiscale thermodynamic analysis on fracture toughness loss induced by solute segregation in steel. Philosophical Magazine 94:19, pages 2131-2149.
Read now

Articles from other publishers (57)

Huijie Cheng, Xu Lu, Jingjing Zhou, Tiwen Lu, Binhan Sun, Xian-Cheng Zhang & Shan-Tung Tu. (2023) The influence of L12 ordered precipitates on hydrogen embrittlement behavior in CoCrNi-based medium entropy alloys. Acta Materialia 260, pages 119328.
Crossref
Tingshu Chen, Motomichi Koyama, Takahiro Chiba, Eiji Akiyama & Kenichi Takai. (2023) Mesoscale quantification of grain boundary character and local plasticity in hydrogen-assisted intergranular and intergranular-like cracking paths in tempered martensitic steel. Materials Science and Engineering: A 886, pages 145718.
Crossref
Runsheng Wang, Lin Cheng, Chaochao Yin, Wenjing Lou & Kaiming Wu. (2023) The effects of hydrogen and vacancy on the tensile deformation behavior of Σ3 symmetric tilt grain boundaries in pure fe. International Journal of Hydrogen Energy 48:79, pages 30930-30948.
Crossref
Guang Cheng, Xiaoli Wang, Kaiyuan Chen, Yang Zhang, T.A. Venkatesh, Xiaolin Wang, Zunzhao Li & Jing Yang. (2023) Probing the effects of hydrogen on the materials used for large-scale transport of hydrogen through multi-scale simulations. Renewable and Sustainable Energy Reviews 182, pages 113353.
Crossref
Tingshu Chen, Motomichi Koyama, Yuhei Ogawa, Hisao Matsunaga & Eiji Akiyama. (2023) Martensite Boundary Characteristics on Cycle- and Time-Dependent Fatigue Crack Growth Paths of Tempered Lath Martensitic Steels in a 90 MPa Gaseous Hydrogen Atmosphere. Metallurgical and Materials Transactions A 54:7, pages 2512-2518.
Crossref
Kazuma Ito, Yuta Tanaka, Kazumasa Tsutsui & Hideaki Sawada. (2023) Analysis of grain-boundary segregation of hydrogen in bcc-Fe polycrystals via a nano-polycrystalline grain-boundary model. Computational Materials Science 225, pages 112196.
Crossref
Jiaxing Liu, Mingjiu Zhao & Lijian Rong. (2023) Overview of hydrogen-resistant alloys for high-pressure hydrogen environment: on the hydrogen energy structural materials. Clean Energy 7:1, pages 99-115.
Crossref
Kazuho Okada, Akinobu Shibata, Taisuke Sasaki, Hisashi Matsumiya, Kazuhiro Hono & Nobuhiro Tsuji. (2023) Improvement of resistance against hydrogen embrittlement by controlling carbon segregation at prior austenite grain boundary in 3Mn-0.2C martensitic steels. Scripta Materialia 224, pages 115043.
Crossref
Kazuma Ito, Yuta Tanaka, Kazumasa Tsutsui & Tomohiko Omura. (2023) Effect of Mo addition on hydrogen segregation at α-Fe grain boundaries: A first-principles investigation of the mechanism by which Mo addition improves hydrogen embrittlement resistance in high-strength steels. Computational Materials Science 218, pages 111951.
Crossref
Akinobu ShibataYazid Madi, Jacques Besson, Akiko NakamuraTaku MoronagaKazuho OkadaIvan Gutierrez-UrrutiaToru Hara. (2023) Relationship between three-dimensional crack morphology and macroscopic mechanical properties of hydrogen-related fracture in martensitic steel. ISIJ International.
Crossref
Hiroshi Yaguchi. (2023) Examples of Fractured Steel Parts during Actual Usage due to Hydrogen Embrittlement and Consideration Regarding the Behavior of Hydrogen at the Prior Austenite Grain Boundary. ISIJ International.
Crossref
Takahiro Chiba, Tetsushi Chida, Tomohiko Omura, Daisuke Hirakami & Kenichi Takai. (2023) Preparation of an overall intergranular fracture surface caused by hydrogen and identification of lattice defects present in the local area just below the surface of tempered martensitic steel. Scripta Materialia 223, pages 115072.
Crossref
Michihiko NagumoMichihiko Nagumo. 2023. Fundamentals of Hydrogen Embrittlement. Fundamentals of Hydrogen Embrittlement 245 263 .
Michihiko NagumoMichihiko Nagumo. 2023. Fundamentals of Hydrogen Embrittlement. Fundamentals of Hydrogen Embrittlement 293 311 .
Yi-Ting Lin, Xianghai An, Zhiguang Zhu, Mui Ling Sharon Nai, Che-Wei Tsai & Hung-Wei Yen. (2022) Effect of cell wall on hydrogen response in CoCrFeMnNi high-entropy alloy additively manufactured by selective laser melting. Journal of Alloys and Compounds 925, pages 166735.
Crossref
Kazuho Okada, Akinobu Shibata, Hisashi Matsumiya & Nobuhiro Tsuji. (2022) Origin of Serrated Markings on the Hydrogen Related Quasi-cleavage Fracture in Low-carbon Steel with Ferrite Microstructure. ISIJ International 62:10, pages 2081-2088.
Crossref
Akinobu SHIBATA. (2022) Hydrogen-related Fracture in Martensitic Steelsマルテンサイト鋼の水素ぜい性破壊. Journal of the Society of Materials Science, Japan 71:8, pages 672-677.
Crossref
Linshuo Dong, Shuize Wang, Guilin Wu, Junheng Gao, Xiaoye Zhou, Hong-Hui Wu & Xinping Mao. (2022) Application of atomic simulation for studying hydrogen embrittlement phenomena and mechanism in iron-based alloys. International Journal of Hydrogen Energy 47:46, pages 20288-20309.
Crossref
Tingshu Chen, Takahiro Chiba, Motomichi Koyama, Eiji Akiyama & Kenichi Takai. (2022) Factors Distinguishing Hydrogen-Assisted Intergranular and Intergranular-Like Fractures in a Tempered Lath Martensitic Steel. Metallurgical and Materials Transactions A 53:5, pages 1645-1658.
Crossref
Akinobu Shibata, Ivan Gutierrez-Urrutia, Kazuho Okada, Goro Miyamoto, Yazid Madi, Jacques Besson & Kaneaki Tsuzaki. (2022) Relationship between mechanical response and microscopic crack propagation behavior of hydrogen-related intergranular fracture in as-quenched martensitic steel. Materials Science and Engineering: A 831, pages 142288.
Crossref
Yang He, Xiong Zhao, Haobo Yu & Changfeng Chen. (2021) Effect of S on H-induced grain-boundary embrittlement in γ-Fe by first-principles calculations. International Journal of Hydrogen Energy 46:55, pages 28346-28357.
Crossref
Binhan Sun, Dong Wang, Xu Lu, Di Wan, Dirk Ponge & Xiancheng Zhang. (2021) Current Challenges and Opportunities Toward Understanding Hydrogen Embrittlement Mechanisms in Advanced High-Strength Steels: A Review. Acta Metallurgica Sinica (English Letters) 34:6, pages 741-754.
Crossref
Akinobu Shibata, Takashi Yonemura, Yuji Momotani, Myeong-heom Park, Shusaku Takagi, Yazid Madi, Jacques Besson & Nobuhiro Tsuji. (2021) Effects of local stress, strain, and hydrogen content on hydrogen-related fracture behavior in low-carbon martensitic steel. Acta Materialia 210, pages 116828.
Crossref
Anastasiia S. Kholtobina, Werner Ecker, Reinhard Pippan & Vsevolod I. Razumovskiy. (2021) Effect of alloying elements on hydrogen enhanced decohesion in bcc iron. Computational Materials Science 188, pages 110215.
Crossref
Andrej Turk, Gaurav R. Joshi, Marius Gintalas, Mauro Callisti, Pedro E.J. Rivera-Díaz-del-Castillo & Enrique I. Galindo-Nava. (2020) Quantification of hydrogen trapping in multiphase steels: Part I – Point traps in martensite. Acta Materialia 194, pages 118-133.
Crossref
Anastasiia S. Kholtobina, Reinhard Pippan, Lorenz Romaner, Daniel Scheiber, Werner Ecker & Vsevolod I. Razumovskiy. (2020) Hydrogen Trapping in bcc Iron. Materials 13:10, pages 2288.
Crossref
Tomohito Tsuru, Kazuyuki Shimizu, Masatake Yamaguchi, Mitsuhiro Itakura, Kenichi Ebihara, Artenis Bendo, Kenji Matsuda & Hiroyuki Toda. (2020) Hydrogen-accelerated spontaneous microcracking in high-strength aluminium alloys. Scientific Reports 10:1.
Crossref
Daichi Asari, Satoshi Mizokami, Mitsugi Fukahori & Kenichi Takai. (2020) Microscopic defects formed during crack incubation, initiation and propagation processes causing hydrogen-related fracture of dual-phase steels. Materials Science and Engineering: A 780, pages 139209.
Crossref
Ryosuke Matsumoto & Shinya Taketomi. (2020) Molecular dynamics simulation of Surface-Adsorbed-Hydrogen-Induced Dislocation Motion in a thin film. Computational Materials Science 171, pages 109240.
Crossref
Kazuyuki Shimizu, Hiroyuki Toda, Kentaro Uesugi & Akihisa Takeuchi. (2019) Local Deformation and Fracture Behavior of High-Strength Aluminum Alloys Under Hydrogen Influence. Metallurgical and Materials Transactions A 51:1, pages 1-19.
Crossref
S. M. Teus & V. G. Gavriljuk. (2019) Molecular Dynamics Study of the Hydrogen and Carbon Effect on Mobility of Grain Boundaries in $\alpha$-Iron. METALLOFIZIKA I NOVEISHIE TEKHNOLOGII 41:9, pages 1187-1203.
Crossref
G Ranjith Kumar, G Rajyalakshmi & S Swaroop. (2019) A critical appraisal of laser peening and its impact on hydrogen embrittlement of titanium alloys. Proceedings of the Institution of Mechanical Engineers, Part B: Journal of Engineering Manufacture 233:13, pages 2371-2398.
Crossref
Kippei Ogawa, Yu Matsumoto, Hiroshi Suzuki & Kenichi Takai. (2019) Hydrogen Embrittlement Susceptibility Evaluation of Tempered Martensitic Steels Showing Different Fracture Surface Morphologies. ISIJ International 59:9, pages 1705-1714.
Crossref
May L. Martin, Mohsen Dadfarnia, Akihide Nagao, Shuai Wang & Petros Sofronis. (2019) Enumeration of the hydrogen-enhanced localized plasticity mechanism for hydrogen embrittlement in structural materials. Acta Materialia 165, pages 734-750.
Crossref
Kippei Ogawa, Yu Matsumoto, Hiroshi Suzuki & Kenichi Takai. (2019) Hydrogen Embrittlement Susceptibility Evaluation of Tempered Martensitic Steels Showing Different Fracture Surface Morphologies破壊形態が異なる焼戻しマルテンサイト鋼の水素脆化感受性評価. Tetsu-to-Hagane 105:1, pages 112-121.
Crossref
Nobuyuki ISHIKAWA, Yuki TOJI & Tomohiko HOJO. (2019) Development of Ultra-High Strength Steel Sheet and Evaluation Method for Hydrogen Embrittlement Behavior自動車用超高強度薄鋼板の開発と水素脆化挙動評価技術. JOURNAL OF THE JAPAN WELDING SOCIETY 88:1, pages 41-44.
Crossref
Shinya Taketomi & Ryosuke Matsumoto. 2019. Handbook of Mechanics of Materials. Handbook of Mechanics of Materials 283 300 .
H. Lambert, Adam Fekete, J.R. Kermode & A. De Vita. (2018) Imeall: A computational framework for the calculation of the atomistic properties of grain boundaries. Computer Physics Communications 232, pages 256-263.
Crossref
Kazuho Okada, Akinobu Shibata, Yasunari Takeda & Nobuhiro Tsuji. (2018) Crystallographic feature of hydrogen-related fracture in 2Mn-0.1C ferritic steel. International Journal of Hydrogen Energy 43:24, pages 11298-11306.
Crossref
Sojeong Yang, Sei-Hun Yun & Takuji Oda. (2018) Molecular dynamics simulation on stability and diffusivity of hydrogen around a <111> symmetric tilt grain boundary in bcc-Fe. Fusion Engineering and Design 131, pages 105-110.
Crossref
Shinya Taketomi & Ryosuke Matsumoto. 2018. Handbook of Mechanics of Materials. Handbook of Mechanics of Materials 1 18 .
Akinobu Shibata, Takahiro Matsuoka, Akira Ueno & Nobuhiro Tsuji. (2017) Fracture surface topography analysis of the hydrogen-related fracture propagation process in martensitic steel. International Journal of Fracture 205:1, pages 73-82.
Crossref
Yutaka Tsuchida & Kenichi Ebihara. (2017) Numerical Simulation of Hydrogen Thermal Desorption Profile under Assumption of Two Kinds of Trap Sites for Tempered Martensitic Steel. Tetsu-to-Hagane 103:11, pages 653-659.
Crossref
Deqiong Zhu & Takuji Oda. (2016) Trap effect of vacancy on hydrogen diffusivity in bcc-Fe. Journal of Nuclear Materials 469, pages 237-243.
Crossref
Takayuki Hase, Tatsuya Ohtagaki, Masatake Yamaguchi, Naoko Ikeo & Toshiji Mukai. (2016) Effect of aluminum or zinc solute addition on enhancing impact fracture toughness in Mg–Ca alloys. Acta Materialia 104, pages 283-294.
Crossref
Michihiko Nagumo. 2016. Encyclopedia of Iron, Steel, and Their Alloys. Encyclopedia of Iron, Steel, and Their Alloys 1785 1800 .
Michihiko NagumoMichihiko Nagumo. 2016. Fundamentals of Hydrogen Embrittlement. Fundamentals of Hydrogen Embrittlement 197 215 .
Akinobu Shibata, Tamotsu Murata, Hiroshi Takahashi, Takahiro Matsuoka & Nobuhiro Tsuji. (2015) Characterization of Hydrogen-Related Fracture Behavior in As-Quenched Low-Carbon Martensitic Steel and Tempered Medium-Carbon Martensitic Steel. Metallurgical and Materials Transactions A 46:12, pages 5685-5696.
Crossref
Masatake Yamaguchi, Ken-ichi Ebihara & Mitsuhiro Itakura. (2015) Multiscale thermodynamic analysis on hydrogen-induced intergranular cracking in an alloy steel with segregated solutes. Corrosion Reviews 33:6, pages 547-557.
Crossref
Ryosuke Matsumoto, Shoichi Seki, Shinya Taketomi & Noriyuki Miyazaki. (2014) Hydrogen-related phenomena due to decreases in lattice defect energies—Molecular dynamics simulations using the embedded atom method potential with pseudo-hydrogen effects. Computational Materials Science 92, pages 362-371.
Crossref
A.M. Tahir, R. Janisch & A. Hartmaier. (2014) Hydrogen embrittlement of a carbon segregated symmetrical tilt grain boundary in α-Fe . Materials Science and Engineering: A 612, pages 462-467.
Crossref
Shinnosuke Aomatsu & Ryosuke Matsumoto. (2014) Digital Image Correlation Measurement of Localized Deformation in Carbon Steel in the Presence of Hydrogen. ISIJ International 54:10, pages 2411-2415.
Crossref
Ken-ichi Ebihara, Takashi Iwamoto, Yukio Matsubara, Hiroki Yamada, Tsukasa Okamura, Wataru Urushihara & Tomohiko Omura. (2014) Numerical Analysis of Influence of Hydrogen Charging Method on Thermal Desorption Spectra for Pre-strained High-Strength Steel. ISIJ International 54:1, pages 153-159.
Crossref
Hiroyoshi Momida, Yusuke Asari, Yoshimichi Nakamura, Yoshitaka Tateyama & Takahisa Ohno. (2013) Hydrogen-enhanced vacancy embrittlement of grain boundaries in iron. Physical Review B 88:14.
Crossref
Bingling He, Wei Xiao, Wei Hao & Zhixue Tian. (2013) First-principles investigation into the effect of Cr on the segregation of multi-H at the Fe Σ3 (111) grain boundary. Journal of Nuclear Materials 441:1-3, pages 301-305.
Crossref
I. Benedetti & M.H. Aliabadi. (2013) A three-dimensional cohesive-frictional grain-boundary micromechanical model for intergranular degradation and failure in polycrystalline materials. Computer Methods in Applied Mechanics and Engineering 265, pages 36-62.
Crossref
M. Itakura, H. Kaburaki, M. Yamaguchi & T. Okita. (2013) The effect of hydrogen atoms on the screw dislocation mobility in bcc iron: A first-principles study. Acta Materialia 61:18, pages 6857-6867.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Order Reprints Request Corporate Permissions

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

Request Academic Permissions

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.