Scripta MaterialiaPub Date : 2025-04-18DOI: 10.1016/j.scriptamat.2025.116700
Kaisheng Ming , Bo Li , Mingyu Gong , Yuchen Zhang , Nan Zi , Shijian Zheng , Jian Wang
{"title":"Unusual {202¯1} twinning behaviors in deformation-induced hexagonal high-entropy alloy","authors":"Kaisheng Ming , Bo Li , Mingyu Gong , Yuchen Zhang , Nan Zi , Shijian Zheng , Jian Wang","doi":"10.1016/j.scriptamat.2025.116700","DOIUrl":"10.1016/j.scriptamat.2025.116700","url":null,"abstract":"<div><div>{2<span><math><mrow><mn>0</mn><mover><mn>2</mn><mo>¯</mo></mover></mrow></math></span>1} twinning had been theoretically predicted for several decades but rarely observed in hexagonal close-packed (hcp) metals. A CrMnFeCoNi high-entropy alloy with a face-centered cubic (fcc) structure at room temperature can undergo martensitic transformation into an hcp structure when deformed at low temperatures. Most surprisingly, we for the first time observed {2<span><math><mrow><mn>0</mn><mover><mn>2</mn><mo>¯</mo></mover></mrow></math></span>1} deformation twins in the deformation-induced hcp-ε grains. Twin boundaries (TBs) are found to deviate from the twinning plane, relaxing into the terraced interface which is composed of (10<span><math><mover><mn>1</mn><mo>¯</mo></mover></math></span>1)<sub>M</sub>||(10<span><math><mover><mn>1</mn><mo>¯</mo></mover></math></span>0)<sub>T</sub> interfaces and (0001)<sub>M</sub>||(10<span><math><mover><mn>1</mn><mo>¯</mo></mover></math></span>3)<sub>T</sub> steps. Due to local heating associated with plastic work, reverse martensite transformation from hcp to fcc occurs in twins and the adjacent matrix through two paths, but their paths in twin and matrix are correlated to each other across TBs. These findings enrich the knowledge of deformation twinning in hcp metals and alloys.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"264 ","pages":"Article 116700"},"PeriodicalIF":5.3,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143844825","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":"Enhancement of ductility in low temperature regimes via detwinning in Mg alloys","authors":"Hidetoshi Somekawa , Yoshinori Ono , Kimiyoshi Naito , Alok Singh","doi":"10.1016/j.scriptamat.2025.116694","DOIUrl":"10.1016/j.scriptamat.2025.116694","url":null,"abstract":"<div><div>Effect of pre-induced {10<span><math><mover><mn>1</mn><mo>¯</mo></mover></math></span>2} twin boundaries on tensile response at low temperatures of 77 K ∼ 293 K is examined in the Mg-Al-Zn alloys. Irrespective of temperatures, the specimens containing twins exhibit lower yield strength than those of specimens without twins, due to detwinning behavior. However, the ductility and absorption properties are significantly enhanced by the presence of these twins. This is owing to existences of dislocations with 〈c〉 component, which are generated by dislocation transformation through twin boundary migration. The pre-induced twin boundaries with 〈c〉 and/or 〈<em>c</em> + <em>a</em>〉 dislocations play a role in relaxation of strain accumulation as well as compensation of slip systems; thus, leading to retardation of localized necking. The twin boundaries with control of interfacial structures break a negative notion that twins are harmful for mechanical properties relating to ductility. This strategy can open a door for new microstructural design of Mg alloys.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"264 ","pages":"Article 116694"},"PeriodicalIF":5.3,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143838070","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 : 2025-04-17DOI: 10.1016/j.scriptamat.2025.116691
Qingbo Yang , Chunan Li , Lipeng Ding , Zhihong Jia , Yanjun Li
{"title":"Revealing the atomic ordering in the Al-Cu sub-lattice of T1 phases in Al-Cu-Li alloys","authors":"Qingbo Yang , Chunan Li , Lipeng Ding , Zhihong Jia , Yanjun Li","doi":"10.1016/j.scriptamat.2025.116691","DOIUrl":"10.1016/j.scriptamat.2025.116691","url":null,"abstract":"<div><div>The Al and Cu atom ordering within the Al-Cu sub-lattices of the T<sub>1</sub> phase have been unambiguously determined by a combination of high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM), atomic-resolution energy-dispersive X-ray spectroscopy (EDX), STEM simulations, cluster expansion (CE) methods and density functional theory (DFT) calculations. A new ordered arrangement of Al and Cu atoms within the Al-Cu sub-lattices has been proposed. These dual Al-Cu layers exhibit orthorhombic symmetry with an AlCu<sub>2</sub> stoichiometry, which plays a crucial role in defining the crystal structure of the T<sub>1</sub> phase. This configuration is different from disordered or ordered atomic arrangements of the Al-Cu sub-lattices reported in previous literature. Moreover, a new T<sub>1</sub> model with the composition of Al<sub>6</sub>Cu<sub>4</sub>Li<sub>3</sub> is proposed based on the new Al-Cu sub-lattices, which demonstrates thermodynamic feasibility.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"264 ","pages":"Article 116691"},"PeriodicalIF":5.3,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143838069","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 : 2025-04-16DOI: 10.1016/j.scriptamat.2025.116702
Zhenhua Nie , Qianying Guo , Jun Chai , Zitao Chen , Jianwei Li , Haokai Dong , Ran Ding , Chenxi Liu , Zongqing Ma , Xuezeng Tian , Hao Chen , Yongchang Liu
{"title":"Initial γ' phase formation mechanism in a GH4099 precipitation strengthened nickel-based superalloy","authors":"Zhenhua Nie , Qianying Guo , Jun Chai , Zitao Chen , Jianwei Li , Haokai Dong , Ran Ding , Chenxi Liu , Zongqing Ma , Xuezeng Tian , Hao Chen , Yongchang Liu","doi":"10.1016/j.scriptamat.2025.116702","DOIUrl":"10.1016/j.scriptamat.2025.116702","url":null,"abstract":"<div><div>The strengthening phases in Ni-based superalloys are the key structures for providing excellent high-temperature mechanical properties, and a current lack of understanding of the very initial step-to-step formation mechanisms for these phases hinders their applications in advanced manufacturing. Here we report the initial formation mechanism of the γ' phase in the GH4099 Ni-based superalloy, which differs from the reported classical and non-classical nucleation theories. Based on the experimental observations, preferable bondings between γ' elements will induce the Al-Al and Ti-Ti clustering, acting as the starting mechanism in the chemical homogeneous superalloy. This spinodal-like chemical modulation causes the uphill diffusion of the γ' elements into the clusters and reduces the energy barrier of the chemical ordering of the γ' phase in them. This transitional initial formation mechanism of the strengthening phase in this alloy will provide a foundamental theory to design the novel superalloys for advanced manufacturing and processing.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"264 ","pages":"Article 116702"},"PeriodicalIF":5.3,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143833455","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 : 2025-04-16DOI: 10.1016/j.scriptamat.2025.116701
Jaemun Park , Beopgil Cho , Ji Seop Oh , Jungmin Lee , Taeseong Rhee , Donghui Lu , Makoto Hashimoto , Jaewook Kim , Keeseong Park
{"title":"Zr3Mn3Sn4Ga: A new hetero-kagome bilayer antiferromagnet","authors":"Jaemun Park , Beopgil Cho , Ji Seop Oh , Jungmin Lee , Taeseong Rhee , Donghui Lu , Makoto Hashimoto , Jaewook Kim , Keeseong Park","doi":"10.1016/j.scriptamat.2025.116701","DOIUrl":"10.1016/j.scriptamat.2025.116701","url":null,"abstract":"<div><div>We report the magnetic and electrical transport properties of single-crystalline Zr<sub>3</sub>Mn<sub>3</sub>Sn<sub>4</sub>Ga, featuring two distinct kagome lattices: a non-magnetic breathing Zr<sub>3</sub>Sn<sub>4</sub> lattice and a magnetic intact Mn<sub>3</sub>Ga lattice. The material undergoes an antiferromagnetic phase transition at <em>T</em><sub>N</sub> = 87 K, with neutron diffraction confirming commensurate ordering characterized by <em>k</em> = (1/3,1/3,0). Transport measurements show metallic behavior, a resistivity anomaly near <em>T</em><sub>N</sub>, and 12 % magnetoresistance at 2 K under 9 T Deviations from the conventional second-order power law, along with negative magnetoresistance and nonlinear Hall slope variations near <em>T</em><sub>N</sub>, suggest strong magneto-electronic coupling. Resonant photoemission spectroscopy identifies Zr 4<em>d</em> and Mn 3<em>d</em> orbitals as dominant contributors to the valence band, linking the material's unique electronic properties to its kagome layers. Zr<sub>3</sub>Mn<sub>3</sub>Sn<sub>4</sub>Ga offers a valuable platform to study interactions between magnetism and topological electronic bands in hetero-kagome systems using the co-existence of magnetic and non-magnetic kagome layers and its tunable electronic structure.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"264 ","pages":"Article 116701"},"PeriodicalIF":5.3,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143833456","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":"Improving hydrogen embrittlement resistance in high-strength martensitic steels via thermomechanical processing","authors":"Xiaodong Lan, Kazuho Okada, Rintaro Ueji, Akinobu Shibata","doi":"10.1016/j.scriptamat.2025.116711","DOIUrl":"10.1016/j.scriptamat.2025.116711","url":null,"abstract":"<div><div>This study proposes a novel approach for architecting dual-phase heterostructure to enhance hydrogen embrittlement resistance in high-strength martensitic steels while maintaining a tensile strength above 1200 MPa. Through thermomechanical processing, a unique dual-phase structure was achieved, characterized by a refined martensitic substructure and dynamically transformed ferrite grains along the prior austenite grain boundaries (PAGBs). Lowering the deformation temperature increased the ferrite volume fraction and the coverage of PAGBs by fine ferrite grains, which consequently reduced the area fraction of hydrogen-related intergranular fracture. Notably, 60 % compression at 700 °C completely suppressed hydrogen-related intergranular fracture, demonstrating an exceptional combination of strength and ductility even in hydrogen-charged state. The coverage of PAGBs by dynamically transformed ferrite was a critical factor in enhancing the hydrogen embrittlement resistance, with higher coverage correlating with improved hydrogen embrittlement resistance. These findings provide valuable microstructure design concepts for high-strength martensitic steels with superior hydrogen embrittlement resistance.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"264 ","pages":"Article 116711"},"PeriodicalIF":5.3,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143838067","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 : 2025-04-16DOI: 10.1016/j.scriptamat.2025.116703
Heping Li , Zhongyang Zheng , Liyu Zheng , Youwei Yan , Xinyun Wang
{"title":"Superior hydrogen permeation resistance in ultrathin oxide nanofilm via crystalline/amorphous interface design","authors":"Heping Li , Zhongyang Zheng , Liyu Zheng , Youwei Yan , Xinyun Wang","doi":"10.1016/j.scriptamat.2025.116703","DOIUrl":"10.1016/j.scriptamat.2025.116703","url":null,"abstract":"<div><div>Hydrogen embrittlement in metals is driving the development of novel ceramic coatings resistant to hydrogen permeation. In this study, for the first time, the crystalline/amorphous interface of oxides was found to greatly enhance their hydrogen permeation resistance. With thickness of only 80 nm, the ultrathin oxide nanofilm consisting of amorphous Al<sub>2</sub>O<sub>3</sub> and crystalline Cr<sub>2</sub>O<sub>3</sub> exhibited an exceptionally low hydrogen permeability of 2.1 × 10<sup>–16</sup> mol s<sup>−1</sup> m<sup>−1</sup> Pa<sup>−0.5</sup>, 3834 times lower than that of the steel. The hydrogen permeation resistance was remarkably improved by 798 % and 2030 % as compared to the sole Cr<sub>2</sub>O<sub>3</sub> and Al<sub>2</sub>O<sub>3</sub> nanofilm, respectively. Hydrogen isotope distribution analyses further verified the remarkable effect of the crystalline/amorphous interface for retarding hydrogen diffusion. These findings provide valuable insights into the impact of interface on the hydrogen barrier efficiency and open a door for developing highly efficient ceramic coatings for hydrogen utilization.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"264 ","pages":"Article 116703"},"PeriodicalIF":5.3,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143838066","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 : 2025-04-16DOI: 10.1016/j.scriptamat.2025.116682
Nutth Tuchinda , Christopher A. Schuh
{"title":"Grain boundary segregation spectra from a generalized machine-learning potential","authors":"Nutth Tuchinda , Christopher A. Schuh","doi":"10.1016/j.scriptamat.2025.116682","DOIUrl":"10.1016/j.scriptamat.2025.116682","url":null,"abstract":"<div><div>Modeling solute segregation to grain boundaries at near first-principles accuracy is a daunting task, particularly at finite concentrations and temperatures that require accurate assessments of solute-solute interactions and excess vibrational entropy of segregation that are computationally intensive. Here, we apply a generalized machine learning potential for 16 elements, including Ag, Al, Au, Cr, Cu, Mg, Mo, Ni, Pb, Pd, Pt, Ta, Ti, V, W and Zr, to provide a self-consistent spectral database for all of these energetic components in 240 binary alloy polycrystals. The segregation spectra are validated against prior quantum-accurate simulations and show improved predictive ability with some existing atom probe tomography experimental data.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"264 ","pages":"Article 116682"},"PeriodicalIF":5.3,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143838068","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 : 2025-04-12DOI: 10.1016/j.scriptamat.2025.116679
Suyun He, Zonglin Li, Kaisheng Ming, Kai Yao, Ziyang Sun, Shijian Zheng
{"title":"Atomic insights into the distinctions between {101¯1} twin boundaries and [112¯0]/60° boundaries in additively manufactured Ti-6Al-4V","authors":"Suyun He, Zonglin Li, Kaisheng Ming, Kai Yao, Ziyang Sun, Shijian Zheng","doi":"10.1016/j.scriptamat.2025.116679","DOIUrl":"10.1016/j.scriptamat.2025.116679","url":null,"abstract":"<div><div>Subtle variations in interface structures significantly influence materials’ mechanical performance. In additively manufactured Ti-6Al-4V alloy, two dominant interfaces, i.e., Type 2 [11<span><math><mover><mn>2</mn><mo>¯</mo></mover></math></span>0]/60° grain boundaries (GBs) and {10<span><math><mover><mn>1</mn><mo>¯</mo></mover></math></span>1}<10<span><math><mrow><mover><mn>1</mn><mo>¯</mo></mover><mover><mn>2</mn><mo>¯</mo></mover></mrow></math></span>> ([11<span><math><mover><mn>2</mn><mo>¯</mo></mover></math></span>0]/57.2°) twin boundaries (TBs), share the same rotation axis with a slight ∼2.8° misorientation discrepancy. However, their precise atomic structural disparities remain unclear, hampering comprehension of their mechanical response and microstructure optimization. This study conducts an atomic-scale investigation on these two interfaces in additively manufactured Ti-6Al-4V alloy, revealing that {10<span><math><mover><mn>1</mn><mo>¯</mo></mover></math></span>1} TBs mainly consist of coherent TBs adorned with dispersed glissile twinning dislocations. In contrast, Type 2 [11<span><math><mover><mn>2</mn><mo>¯</mo></mover></math></span>0]/60° GBs exhibit serrated features with periodic arrays of immobile disconnections containing misfit dislocations. These misfit dislocations, comprising 〈<strong>a<sub>60</sub></strong>〉 dislocations, help accommodate the ∼2.8° inclination between {10<span><math><mover><mn>1</mn><mo>¯</mo></mover></math></span>1} planes of adjacent α (or α′) variants that form Type 2 [11<span><math><mover><mn>2</mn><mo>¯</mo></mover></math></span>0]/60° GBs. These findings offer atomic-scale insights into the structural design of additively manufactured dual-phase titanium alloys.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"263 ","pages":"Article 116679"},"PeriodicalIF":5.3,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143820473","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":"Effect of β-stabilizer niobium on diffusional properties of the BCC β-Ti(Al) phase using a pseudo-binary diffusion couple technique","authors":"Shivansh Mehrotra , Nikhil Singh , Dibyajyoti Ghosh , Sangeeta Santra","doi":"10.1016/j.scriptamat.2025.116695","DOIUrl":"10.1016/j.scriptamat.2025.116695","url":null,"abstract":"<div><div>The study examines the influence of Nb on diffusional properties of the body-centered cubic (BCC) solid solution phase, β-Ti(Al) by determining the interdiffusion and intrinsic diffusion coefficients using a pseudo-binary diffusion couple method. The interdiffusion coefficients are higher for the ternary β-Ti(Al, Nb) system than those of the Nb-free binary β-Ti(Al) system at all the temperatures studied and for any fixed Al content in β. An increase in <span><math><mover><mi>D</mi><mo>˜</mo></mover></math></span> for the ternary case has been attributed to an increase in the thermodynamic factor in β with the addition of Nb and a decrease in the activation energy for the interdiffusion (<em>Q</em>). <em>Q</em> decreases because of reduction in the vacancy formation energy determined using DFT analysis and lowering of migration energy in the presence of Nb. The Kirkendall marker experiment demonstrated a higher intrinsic diffusion coefficient for Ti than Al, which had been explained considering the Lazarus’ valence model for diffusion.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"263 ","pages":"Article 116695"},"PeriodicalIF":5.3,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143820472","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}