{"title":"A Neural Network Interatomic Potential for the Ternary α-Fe-C-H System: Toward Million-Atom Simulations of Hydrogen Embrittlement in Steel","authors":"Fan-Shun Meng, Shuhei Shinzato, Kazuki Matsubara, Jun-Ping Du, Peijun Yu, Shigenobu Ogata","doi":"10.1007/s11837-025-07721-4","DOIUrl":"10.1007/s11837-025-07721-4","url":null,"abstract":"<div><p>A neural network interatomic potential (NNIP) has been developed for the ternary system of <span>(alpha )</span>-iron, carbon, and hydrogen to clarify the degradation behavior of Fe-C steels in hydrogen-rich environments. The NNIP was trained on an extensive reference database generated from spin-polarized density functional theory (DFT) calculations. It demonstrates remarkable performance in various scenarios relevant to Fe and Fe-C systems under hydrogen, including the diffusion kinetics of H and C in Fe and their thermodynamic interactions with iron vacancies, grain boundaries, screw dislocations, cementite, and cementite–ferrite interfaces. Using this NNIP, we conducted large-scale (one-million-atom) molecular dynamics (MD) simulations of uniaxial tensile tests on C-containing <span>(alpha )</span>-Fe both with and without H, showing that hydrogen enhances defect accumulation during plastic deformation, which may eventually lead to material failure.</p></div>","PeriodicalId":605,"journal":{"name":"JOM","volume":"77 11","pages":"8101 - 8117"},"PeriodicalIF":2.3,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11837-025-07721-4.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145327588","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
JOMPub Date : 2025-10-03DOI: 10.1007/s11837-025-07863-5
{"title":"TMS Welcomes New Members in August 2025","authors":"","doi":"10.1007/s11837-025-07863-5","DOIUrl":"10.1007/s11837-025-07863-5","url":null,"abstract":"","PeriodicalId":605,"journal":{"name":"JOM","volume":"77 11","pages":"8048 - 8049"},"PeriodicalIF":2.3,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145327616","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
JOMPub Date : 2025-09-19DOI: 10.1007/s11837-025-07761-w
Zhicheng Jia, Yong Chen, Li Luo, Hang Zhao
{"title":"Multi-Scale Full-Process Prediction and Performance Analysis of Carburizing and Quenching Heat Treatment","authors":"Zhicheng Jia, Yong Chen, Li Luo, Hang Zhao","doi":"10.1007/s11837-025-07761-w","DOIUrl":"10.1007/s11837-025-07761-w","url":null,"abstract":"<div><p>This study focuses on FZG gears made of carburizing steel 20MnCrS5, considering the effects of carburizing hardening. A modified phase transformation kinetics formula and constitutive equation are introduced. Based on the ‘phase − thermal − mechanical’ coupling theory and multi-scale simulation methods, a diffusion − temperature − phase − stress − strain − hardness multi-field coupling model is established. The multi-scale and full-process \"visualization\" prediction of carburizing and quenching heat treatment under phenomenological phase transformation kinetics has been carried out. The results show that, under the H2 process, the surface carbon content is 0.763%, the residual austenite volume at the surface is 7.7%, the residual compressive stress is 513 MPa, the maximum deformation is 40 μm, the surface hardness is 696 HV, and the carburized layer depth is 1.02 mm. The prediction errors are 1.7%, 9%, 2.1%, 7.5%, 0.14%, and 2.9%, respectively. This confirms the feasibility of the multi-field coupling model. The study analyzes the mechanisms of carburizing diffusion kinetics, iron − carbon phase transformation, and carbide precipitation, revealing the effect of process parameters on microstructure and distortion. It also discusses the impact of surface integrity on gear fatigue contact life, offering new insights for optimizing carburizing heat treatment processes and enhancing macroscopic mechanical properties.</p></div>","PeriodicalId":605,"journal":{"name":"JOM","volume":"77 11","pages":"8137 - 8154"},"PeriodicalIF":2.3,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145327560","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
JOMPub Date : 2025-09-19DOI: 10.1007/s11837-025-07774-5
Manish Kumar Sinha, Brajendra Mishra, Subodh Kumar Das, Tom Grosko
{"title":"Correction: Influence of Si, Mn, and Cr on the Iron Removal from Aluminum Scrap: A Thermodynamic and Experimental Analysis","authors":"Manish Kumar Sinha, Brajendra Mishra, Subodh Kumar Das, Tom Grosko","doi":"10.1007/s11837-025-07774-5","DOIUrl":"10.1007/s11837-025-07774-5","url":null,"abstract":"","PeriodicalId":605,"journal":{"name":"JOM","volume":"77 11","pages":"8345 - 8345"},"PeriodicalIF":2.3,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145327595","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
JOMPub Date : 2025-09-18DOI: 10.1007/s11837-025-07742-z
B. Poorganji, I. Del Castillo, A. Schafer, M. Pourshams
{"title":"Comparison of Stress–Strain Properties from Profilometry-Based Indentation Plastometry (PIP) and Conventional Tensile Testing","authors":"B. Poorganji, I. Del Castillo, A. Schafer, M. Pourshams","doi":"10.1007/s11837-025-07742-z","DOIUrl":"10.1007/s11837-025-07742-z","url":null,"abstract":"<div><p>Profilometry-based indentation plastometry (PIP) was studied in this research to obtain stress–strain data from a simple indentation test. Five alloys commonly produced by additive manufacturing, Ti6Al4V, Ahead CP1, AlSi10Mg, Ni625, and Ni718, were used to print tensile bars using laser powder bed fusion (L-PBF). The tensile bars were then tested using the ‘gold standard’ of mechanical testing, conventional tensile methods outlined in ASTM E8. The tested tensile specimens were then sectioned through the grip section and polished using standard metallographic preparation techniques and PIP tested. When comparing the two test methods, the average tensile strength between all the materials showed a difference of 3.2% while the yield strength differed by 3.7%. These small differences between testing methods demonstrate that PIP testing is a viable alternative to the tensile test. Particular attention was given to the variation in the PIP-determined properties, and the origins of this variation are discussed. A test method standard is currently being developed for this methodology through the ASTM F42 committee, and therefore independent data to assess the precision and accuracy of the method are required.</p></div>","PeriodicalId":605,"journal":{"name":"JOM","volume":"77 11","pages":"8426 - 8432"},"PeriodicalIF":2.3,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145327634","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
JOMPub Date : 2025-09-16DOI: 10.1007/s11837-025-07756-7
Peng Zhang, Heng Xie
{"title":"Erosion Behavior of WC and Cu-WC Contact Materials Under Vacuum Arc","authors":"Peng Zhang, Heng Xie","doi":"10.1007/s11837-025-07756-7","DOIUrl":"10.1007/s11837-025-07756-7","url":null,"abstract":"<div><p>WC compact and Cu-WC composites were fabricated via spark plasma sintering, and their arc erosion behavior in vacuum was investigated in detail. When subjected to a vacuum arc, WC demonstrated the combined merits of both metals and ceramics. Micro-protrusions, which are commonly observed within the molten pools of alloy-based cathodes, were found on the surface of WC cathodes. The decomposition of WC into W and carbon was observed on both WC cathodes and WC anodes. In Cu-WC composites, WC particles are more refractory than Cu under vacuum arc erosion. After the first vacuum breakdown, Cu-WC composites with higher WC content exhibit smaller molten pools compared to those with lower WC content. After 100 vacuum breakdowns, the WC particles partially melted, and the resulting molten WC was mixed and redistributed throughout the copper matrix.</p></div>","PeriodicalId":605,"journal":{"name":"JOM","volume":"77 11","pages":"8416 - 8425"},"PeriodicalIF":2.3,"publicationDate":"2025-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145327590","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Effect of Cerium on Electrical Conductivity and Mechanical Properties of Al-Mg-Si Alloy","authors":"Wenjun Xu, Xiaodan Zhao, Xutong Wang, Yao Liu, Wenxin Hu, Yanling Guo, Guangxin Wu","doi":"10.1007/s11837-025-07693-5","DOIUrl":"10.1007/s11837-025-07693-5","url":null,"abstract":"<div><p>The trade-off between electrical conductivity and strength in conductor alloys has always been an unavoidable dilemma, based on which, Ce (0, 0.1, 0.3 and 0.6 wt %) has been added to the Al-0.8Mg-0.5Si alloy, and an effective heat treatment process has been applied to obtain high-strength, high electrical conductivity alloys. The addition of Ce reduces the solubility of Si and Fe in α-Al, thereby enhancing electrical conductivity. Additionally, CeAlSi<sub>2</sub> phases in the form of dots or rods are formed in the alloy, reducing grain size and improving strength. However, excessive Ce atoms can lead to a “ring-like” phenomenon, which reduces the space between the second phases, increases electron scattering and results in a decrease in electrical conductivity. When the Ce content is 0.3 wt.%, the alloy exhibits optimal comprehensive performance. After secondary aging, the electrical conductivity is 51.03 ± 0.15% IACS. The ultimate tensile strength of the alloy is 292 MPa, and the yield strength is 271 MPa.</p></div>","PeriodicalId":605,"journal":{"name":"JOM","volume":"77 11","pages":"8511 - 8522"},"PeriodicalIF":2.3,"publicationDate":"2025-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145327591","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}