Defect healing mechanism in Fe-Cr-Ni single crystal under multiaxial cyclic loading: A molecular dynamic simulation based study

Defect healing mechanism in Fe-Cr-Ni single crystal under multiaxial cyclic loading: A molecular dynamic simulation based study | Authorea try { document.documentElement.classList.add('js'); } catch (e) { } var _gaq = _gaq || []; _gaq.push(['_setAccount', 'G-8VDV14Y67G']); _gaq.push(['_trackPageview']); (function() { var ga = document.createElement('script'); ga.type = 'text/javascript'; ga.async = true; ga.src = ('https:' == document.location.protocol ? 'https://ssl' : 'http://www') + '.google-analytics.com/ga.js'; var s = document.getElementsByTagName('script')[0]; s.parentNode.insertBefore(ga, s); })(); Skip to main content Preprints Collections Wiley Open Research IET Open Research Ecological Society of Japan All Collections About About Authorea FAQs Contact Us Quick Search anywhere Search for preprint articles, keywords, etc. Search Search ADVANCED SEARCH SCROLL This is a preprint and has not been peer reviewed. Data may be preliminary. 25 March 2025 V1 Latest version Share on Defect healing mechanism in Fe-Cr-Ni single crystal under multiaxial cyclic loading: A molecular dynamic simulation based study Authors : Arun Kumar , Ashok Kumar , and Sunil Kumar [email protected] Authors Info & Affiliations https://doi.org/10.22541/au.174288080.06938055/v1 Published Fatigue & Fracture of Engineering Materials & Structures Version of record Peer review timeline 172 views 161 downloads Contents Abstract Supplementary Material Information & Authors Metrics & Citations View Options References Figures Tables Media Share Abstract This study used molecular dynamics (MD) simulations to investigate the defect healing mechanisms in Fe-Cr-Ni single crystal alloys under multiaxial cyclic loading. This study, which focuses on improving the mechanical strength of these alloys for applications in the aerospace, automotive, nuclear, and marine sectors, looks at the healing of pre-existing defects at the atomic level. Triaxial cyclic loading simulations at 300 K show that defect healing is predominantly achieved by dislocation processes like as cross-slip and climb, which are combined with atomic diffusion and crystalline structure recovery. The growth of dislocation tangles and stacking faults, as well as the transition from extrinsic to intrinsic stacking faults, is crucial for void closure and material strength. The complete healing of pre-existing voids is achieved by the 15 th cycle, as indicated by reductions in dislocation density, void size, and the stabilization of potential energy. In comparison, complete healing is observed by the 19 th and 27 th cycles under biaxial and uniaxial cyclic loading, respectively. Furthermore, phase transformation analysis reveals that the FCC phase remains predominant, while localized increases in the HCP phase contribute to structural recovery. This study provides solutions to enhance the fatigue resistance, structural integrity, and long-term performance of Fe-Cr-Ni alloys under cyclic loading situations by revealing important light on the atomic-scale defect healing mechanisms. Supplementary Material File (figure1.docx) Download 738.30 KB File (figure10.docx) Download 54.83 KB File (figure11.docx) Download 52.77 KB File (figure12.docx) Download 281.90 KB File (figure13.docx) Download 10.61 MB File (figure14.docx) Download 64.68 KB File (figure2.docx) Download 1.35 MB File (figure3.docx) Download 2.16 MB File (figure4.docx) Download 45.60 KB File (figure5.docx) Download 52.28 KB File (figure6.docx) Download 141.76 KB File (figure7.docx) Download 56.89 KB File (figure8.docx) Download 62.95 KB File (figure9.docx) Download 1.01 MB File (manuscript-07-03-2025.docx) Download 69.73 KB File (table1.docx) Download 14.50 KB Information & Authors Information Version history V1 Version 1 25 March 2025 Peer review timeline Published Fatigue & Fracture of Engineering Materials & Structures Version of Record 24 Jul 2025 Published Copyright This work is licensed under a Non Exclusive No Reuse License. Keywords metal forming numerical simulation Authors Affiliations Arun Kumar National Institute of Technology Jamshedpur View all articles by this author Ashok Kumar National Institute of Technology Jamshedpur View all articles by this author Sunil Kumar [email protected] National Metallurgical Laboratory CSIR View all articles by this author Metrics & Citations Metrics Article Usage 172 views 161 downloads .FvxKWukQNSOunydq8rnd { width: 100px; } Citations Download citation Arun Kumar, Ashok Kumar, Sunil Kumar. Defect healing mechanism in Fe-Cr-Ni single crystal under multiaxial cyclic loading: A molecular dynamic simulation based study. Authorea . 25 March 2025. DOI: https://doi.org/10.22541/au.174288080.06938055/v1 If you have the appropriate software installed, you can download article citation data to the citation manager of your choice. Simply select your manager software from the list below and click Download. For more information or tips please see 'Downloading to a citation manager' in the Help menu . Format Please select one from the list RIS (ProCite, Reference Manager) EndNote BibTex Medlars RefWorks Direct import Tips for downloading citations document.getElementById('citMgrHelpLink').addEventListener('click', function() { popupHelp(this.href); return false; }); $(".js__slcInclude").on("change", function(e){ if ($(this).val() == 'refworks') $('#direct').prop("checked", false); $('#direct').prop("disabled", ($(this).val() == 'refworks')); }); Cited by Abhishek Arya, Ram Krishna, Arun Kumar, Crystalline Phase Evolution During Solidification of Equiatomic Ni–Ti Shape Memory Alloys: A Molecular Dynamics-Based Study, Recent Advances in Materials Processing and Characterization, (261-266), (2026). https://doi.org/10.1007/978-981-95-3090-8_26 Crossref Saurav Kumar, Sunil Kumar, Jaiveer Singh, Poulami Maji, Arun Kumar, Nano-indentation-Induced Crystal Evolution and Dislocation in Copper: An Atomistic Molecular Dynamic Simulation-Based Investigation, Recent Advances in Materials Processing and Characterization, (145-154), (2026). https://doi.org/10.1007/978-981-95-3090-8_14 Crossref Loading... 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