Scripta MaterialiaPub Date : 2025-06-25DOI: 10.1016/j.scriptamat.2025.116831
Bin Shao, Yuzhuo Shao, Wei Tang, Qiwei Wang, Yingying Zong, Debin Shan, Bin Guo
{"title":"Mechanism of significant plasticity improvement via dual assistance with electric current and hydrogen in the Ti-22Al-25Nb alloy","authors":"Bin Shao, Yuzhuo Shao, Wei Tang, Qiwei Wang, Yingying Zong, Debin Shan, Bin Guo","doi":"10.1016/j.scriptamat.2025.116831","DOIUrl":"10.1016/j.scriptamat.2025.116831","url":null,"abstract":"<div><div>This study proposes a dual-assisted forming method using electric current and hydrogen to address the challenges of poor plasticity and high deformation temperatures induced by brittle cracking in the Ti-22Al-25Nb alloy. The optimal parameters for this novel technology were identified as a current density of 7.5 A/mm² and hydrogen content of 0.1 wt.%. These conditions enabled a reduction in the forming temperature to 750 °C. At this temperature, the ultimate tensile stress decreased by 51.4%, reaching 518 MPa, whereas the elongation reached 32.4%. This significant improvement in plasticity is attributed to two primary mechanisms. First, the decomposition of the O phase during deformation generated fine O-phase particles on the nanometer scale, dispersed within the B2/β phase. This dispersion inhibited the deformation-induced cracking in the O phase and facilitated the activation of a significant amount of (001)<sub>O</sub>-basal slip. Second, a fully dynamic recrystallized (DRX) microstructure developed in the necking region.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"267 ","pages":"Article 116831"},"PeriodicalIF":5.3,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144472169","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Scripta MaterialiaPub Date : 2025-06-25DOI: 10.1016/j.scriptamat.2025.116824
Qile Huo , Xuefei Chen , Jiaqi Meng , Manping Liu , Xinxin Dong , Fang Wang , Rui Luo , Hao Zhou , Yuntian Zhu
{"title":"Ultrafine κ-Phase and De-faulting mechanisms enables 2GPa strength with ductility in a VCoNi alloy via ultra-fast heat treatment","authors":"Qile Huo , Xuefei Chen , Jiaqi Meng , Manping Liu , Xinxin Dong , Fang Wang , Rui Luo , Hao Zhou , Yuntian Zhu","doi":"10.1016/j.scriptamat.2025.116824","DOIUrl":"10.1016/j.scriptamat.2025.116824","url":null,"abstract":"<div><div>Medium-entropy alloys have become promising structural materials owing to their exceptional mechanical performance. Strategies to reduce enthalpy in these systems have proven effective in enhancing strength, while they often cause a dramatic loss of both strength and ductility, due to overgrowth of precipitates or intermetallic compounds. Here, we employ ultra-short-time high-temperature heat treatment—enabled by a Gleeble system—to process cold-rolled VCoNi medium-entropy alloy samples within the single-phase solid-solution regime. The alloy achieves a remarkable tensile strength of 2 GPa while retaining 4 % uniform elongation. We reveal that the formation of ultrafine κ phases is inherently coupled with a high density of nanoscale stacking faults. These faults participate cooperatively in κ-phase deformation and give rise to a previously unreported “de-faulting” mechanism, whereby a substantial fraction of stacking faults is recovered post-deformation. We propose that partial dislocations emitted from grain boundaries is critical in mediating this process.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"267 ","pages":"Article 116824"},"PeriodicalIF":5.3,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144472170","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Scripta MaterialiaPub Date : 2025-06-24DOI: 10.1016/j.scriptamat.2025.116836
Duo Sun , Huimin Xu , Junsong Zhang , Jianwen Wang , Haikuan Wang , Yuehui Jia , Huijun Deng , Zhicheng Peng , Xuan Liu , Xiaobin Shi , Yuxuan Chen , Xinyu Zhang
{"title":"Achieving high-temperature superelasticity and stable actuation response by nanocrystalline engineering in NiTiZr shape memory alloy","authors":"Duo Sun , Huimin Xu , Junsong Zhang , Jianwen Wang , Haikuan Wang , Yuehui Jia , Huijun Deng , Zhicheng Peng , Xuan Liu , Xiaobin Shi , Yuxuan Chen , Xinyu Zhang","doi":"10.1016/j.scriptamat.2025.116836","DOIUrl":"10.1016/j.scriptamat.2025.116836","url":null,"abstract":"<div><div>We report a nanostructured Ni₅₀Ti₄₆Zr₄ (at. %) alloy that, after 90 % cold drawing combined with low-temperature annealing at 380 °C, exhibits up to 7.8 % recoverable strain over a wide temperature range from 20 °C to 200 °C. Furthermore, the nanocrystalline alloy annealed at 550 °C maintains a martensitic phase transformation start temperature (Ms) of -24 °C during load-biased thermal cycles, exhibits a stable thermally actuation response, and achieves an actuation strain of 7 % under an applied stress of 500 MPa. Detailed microstructural observations reveal that the superior functional stability originates from the synergistic effect of Zr doping and nanocrystalline reinforcement, which inhibits the generation of dislocations during the martensitic phase transformation process. Theoretical phase transformation strain calculations further corroborate the experimentally measured maximum actuation strain. The designed precious-metal-free nanocrystalline NiTiZr alloy holds significant potential for applications in aerospace engineering and solid-state actuation systems.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"267 ","pages":"Article 116836"},"PeriodicalIF":5.3,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144365951","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Scripta MaterialiaPub Date : 2025-06-23DOI: 10.1016/j.scriptamat.2025.116828
Qianqian Song , Bozhao Zhang , Kaihui Xun , Evan Ma , Jun Ding
{"title":"Accelerated prediction of chemical short-range order via lattice distortion in multi-principal element alloys","authors":"Qianqian Song , Bozhao Zhang , Kaihui Xun , Evan Ma , Jun Ding","doi":"10.1016/j.scriptamat.2025.116828","DOIUrl":"10.1016/j.scriptamat.2025.116828","url":null,"abstract":"<div><div>The chemical short-range order (CSRO) in multi-principal element alloys (MPEAs) critically influences their microstructural and various properties. Conventional density functional theory (DFT)-based Monte Carlo (MC) simulations, though accurate, are computationally expensive and limited to small-scale systems. This study introduces a novel local-lattice-distortion (LLD)-based MC framework as a computationally efficient alternative for predicting CSRO. By replacing energy-based acceptance criteria with LLD reduction as the metric for atomic swaps, our method achieves computational speeds over two orders of magnitude faster than DFT-based methods while maintaining accuracy. Validated on six representative face-centered cubic and body-centered cubic MPEAs, the framework reveals a strong correlation between LLD and CSRO. Its scalability enables applications in large-scale simulations and high-throughput studies, providing actionable insights into the LLD-CSRO relationship. This methodology offers a transformative tool for advancing the design and optimization of MPEAs with tailored properties.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"267 ","pages":"Article 116828"},"PeriodicalIF":5.3,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144338283","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Scripta MaterialiaPub Date : 2025-06-21DOI: 10.1016/j.scriptamat.2025.116834
Fei Yang , Canhui Wu , Ruifeng Li , Yusong Xu , Lichu Zhou , Feng Fang , Liming Dong , Hyoung Seop Kim , Wenyi Huo , Tianbo Yu
{"title":"Precipitation driven nano-twinning: Simultaneous enhancement of mechanical and electrical properties in Cu-Ni-Sn alloys","authors":"Fei Yang , Canhui Wu , Ruifeng Li , Yusong Xu , Lichu Zhou , Feng Fang , Liming Dong , Hyoung Seop Kim , Wenyi Huo , Tianbo Yu","doi":"10.1016/j.scriptamat.2025.116834","DOIUrl":"10.1016/j.scriptamat.2025.116834","url":null,"abstract":"<div><div>After homogenization, hot forging and solid-solution treatment at 800 °C, the Cu-15Ni-9Sn alloy was cold-rolled to a 60 % thickness reduction and aged at 400 °C. After 1 h aging, spinodal decomposition produced the Sn and Ni enriched DO<sub>22</sub> phase coherent with the matrix, while abundant nanotwins emerged in the vicinity of (Cu, Ni)<sub>3</sub>Sn precipitates in the recrystallized matrix. Compared to the as-rolled state, the alloy exhibited enhanced hardness (316 HV), ultimate tensile strength (1131 MPa), and electrical conductivity (9.7 % IACS). Extending aging to 4 h led to extensive (Cu, Ni)<sub>3</sub>Sn secondary phase formation and pronounced recrystallization, reducing strength to 855 MPa but increasing electrical conductivity to 11.7 % IACS and total elongation to 12.9 %. The synergistic interplay of spinodal decomposition, local recrystallization, precipitation and nano-twinning underpinned the superior mechanical and electrical properties of the 1 h aged Cu-15Ni-9Sn alloy.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"267 ","pages":"Article 116834"},"PeriodicalIF":5.3,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144335655","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Scripta MaterialiaPub Date : 2025-06-21DOI: 10.1016/j.scriptamat.2025.116833
Jian Song, Bingqiang Wei, Jian Wang
{"title":"Size dependent, anisotropic deformation behaviors of Fe-SiOC columnar nanocomposites","authors":"Jian Song, Bingqiang Wei, Jian Wang","doi":"10.1016/j.scriptamat.2025.116833","DOIUrl":"10.1016/j.scriptamat.2025.116833","url":null,"abstract":"<div><div>Fe-SiOC nanocomposites with core-shell (crystal-amorphous) columnar structures exhibit size dependent, anisotropic mechanical properties. When loading along the columns, the yield strength of Fe-SiOC increases from 2.6 GPa to 3.5 GPa as the column diameter decreases from ∼14.0 nm to ∼3.7 nm. In contrast, the yield strength of Fe-SiOC decreases from 3.1 GPa to 2.5 GPa when the loading is perpendicular to the columns. Combining with transmission electron microscope (TEM) analysis, the anisotropic mechanical properties were attributed to the size-dependent transition of deformation mechanisms from co-deformation (Fe and SiOC) to grain boundaries mediated cracking.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"267 ","pages":"Article 116833"},"PeriodicalIF":5.3,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144330589","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Scripta MaterialiaPub Date : 2025-06-21DOI: 10.1016/j.scriptamat.2025.116826
Adam Olczak , Ryszard Sobierajski , Przemysław Dzięgielewski , Salman A. Khan , Zuzanna Kostera , Kirill P. Migdal , Igor Milov , Klaus Sokolowski-Tinten , Peter Zalden , Vasily V. Zhakhovsky , Jerzy Antonowicz
{"title":"Atomic dynamics and local structural disorder during ultrafast melting of polycrystalline Pd","authors":"Adam Olczak , Ryszard Sobierajski , Przemysław Dzięgielewski , Salman A. Khan , Zuzanna Kostera , Kirill P. Migdal , Igor Milov , Klaus Sokolowski-Tinten , Peter Zalden , Vasily V. Zhakhovsky , Jerzy Antonowicz","doi":"10.1016/j.scriptamat.2025.116826","DOIUrl":"10.1016/j.scriptamat.2025.116826","url":null,"abstract":"<div><div>The primary distinction between solid and liquid phases is mechanical rigidity, with liquids having a disordered atomic structure that allows flow. While melting is a common phase transition, its microscopic mechanisms still remain unclear. This study uses molecular dynamics simulations to investigate ultrafast melting in polycrystalline palladium, focusing on the relationship between atomic dynamics quantified by the root-mean-squared displacement (RMSD) and local structural disorder characterized by the deviation from centrosymmetry. In the crystal bulk, melting is preceded by a gradual rise in the RMSD and local disorder. As the Lindemann limit for the RMSD is approached, the increasing concentration of lattice defects is manifested by a discontinuous rise in disorder. On melting, the rise is followed by a rapid increase in displacement, indicative of atomic flow. In contrast, the grain boundaries undergo melting through a continuous increase of both the displacement and the disorder, resembling a glass transition on heating.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"267 ","pages":"Article 116826"},"PeriodicalIF":5.3,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144330588","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Scripta MaterialiaPub Date : 2025-06-20DOI: 10.1016/j.scriptamat.2025.116815
Quanliang Liu, Maciej P Polak, MD Al Amin Shuvo, Hrishikesh Shridhar Deodhar, Jeongsoo Han, Dane Morgan, Hyunseok Oh
{"title":"Automated extraction of materials system charts using a large language model framework","authors":"Quanliang Liu, Maciej P Polak, MD Al Amin Shuvo, Hrishikesh Shridhar Deodhar, Jeongsoo Han, Dane Morgan, Hyunseok Oh","doi":"10.1016/j.scriptamat.2025.116815","DOIUrl":"10.1016/j.scriptamat.2025.116815","url":null,"abstract":"<div><div>A framework leveraging large language models (LLMs) is developed to systematically extract and organize Processing-Mechanism-Structure-Mechanism-Property (P-M-S-M-P) relationships from materials science and engineering literature, with a particular focus on metallurgy. Using multi-stage prompts, our method identifies key properties, microstructures, processing methods, and associated mechanisms, then integrates them to generate comprehensive materials system charts. Additionally, the framework refines the extracted system charts for visualization, enabling the creation of informative diagrams that capture essential insights from each paper. Evaluated across 70 papers spanning multiple alloy systems and research types, the approach achieves 94 % accuracy in mechanism extraction, 87 % in information source labeling, and 97 % in the human-machine readability index for processing, structure, and property entities. The prompts and codes are provided alongside guidelines for researchers unfamiliar with coding. This framework offers an effective methodology for knowledge extraction in materials science using the P-M-S-M-P framework.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"267 ","pages":"Article 116815"},"PeriodicalIF":5.3,"publicationDate":"2025-06-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144322717","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Large superelasticity above 800K in a Ni-Mn-Ga-B-Ce high-temperature shape memory microwire","authors":"Zhen Chen , Zhehao Jia , Yin Zhang , Weiran Zhang , Liying Sun , Daoyong Cong","doi":"10.1016/j.scriptamat.2025.116827","DOIUrl":"10.1016/j.scriptamat.2025.116827","url":null,"abstract":"<div><div>With the rapid development of aerospace, automotive, energy exploration, and mechanotronics, higher requirements are put forward for high-temperature shape memory alloys (HTSMAs) as solid-state actuators or superelastic components. Here, we developed a Ni-Mn-Ga-B-Ce HTSMA microwire with an oligocrystalline structure fabricated by Taylor-Ulitovsky method, exhibiting large tensile superelasticity with a recoverable strain up to 9.2 % at 803 K, which is the highest superelastic temperature under tension reported up to now. Owing to the existence of a face-centered cubic (FCC) structured precipitation and a semi-coherent interface between FCC and NM martensite phases, as well as the microstructure of oligocrystalline, the microwire showed excellent superelasticity from 623 K to 803 K. Meanwhile, the microwire also showed excellent cyclic stability during 601 cycles of loading and unloading at 673 K. Combined with easy-fabricated and low cost of raw materials, the microwire shows a high potential in the field of high-temperature actuation and sensing.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"267 ","pages":"Article 116827"},"PeriodicalIF":5.3,"publicationDate":"2025-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144314588","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Scripta MaterialiaPub Date : 2025-06-19DOI: 10.1016/j.scriptamat.2025.116823
Zhengyang Ming, Ze Chen, Zhaofan Wang, Qi Xiong, Zhe Liu, Chao Yin, Shifeng Mao, Minyou Ye
{"title":"A study of helium bubble facetation in bcc iron through molecular dynamics","authors":"Zhengyang Ming, Ze Chen, Zhaofan Wang, Qi Xiong, Zhe Liu, Chao Yin, Shifeng Mao, Minyou Ye","doi":"10.1016/j.scriptamat.2025.116823","DOIUrl":"10.1016/j.scriptamat.2025.116823","url":null,"abstract":"<div><div>Helium (He) bubble facetation is a widely observed phenomenon in neutron or ion irradiation experiments of iron (Fe) and its alloys. However, the underlying mechanism of bubble facetation remains unclear. In this research, molecular dynamics (MD) simulations are performed to study bubble facetation and the effects of temperature as well as bubble pressure (helium-to-vacancy ratio, He/V ratio) on facetation. The results give the dynamic evolution pictures of He bubble facetation at different temperatures. The process of facetation suggests that a spherical-faceted transition temperature of He bubble exists, which is consistent with experimental observations. Further analysis indicates that facets with higher surface energy emerge as intermediate states during facetation. This mechamism may explain why the bubble facetation predominantly occurs at elevated temperature. Additionally, simulation results related to He/V ratio suggest that increased adatom migration barrier induced by bubble pressure would significantly suppress bubble facetation.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"267 ","pages":"Article 116823"},"PeriodicalIF":5.3,"publicationDate":"2025-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144314590","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}