Scripta MaterialiaPub Date : 2025-07-23DOI: 10.1016/j.scriptamat.2025.116879
Bassem Sboui , Pierre-Antoine Geslin , David Rodney
{"title":"What pins edge dislocations in random alloys? Comparing size and elastic heterogeneities","authors":"Bassem Sboui , Pierre-Antoine Geslin , David Rodney","doi":"10.1016/j.scriptamat.2025.116879","DOIUrl":"10.1016/j.scriptamat.2025.116879","url":null,"abstract":"<div><div>This work compares the impact of size mismatch and elastic heterogeneities on solute pinning of edge dislocations in random body-centered cubic alloys – solid solutions in which different atomic species occupy lattice sites at random. Using atomic-scale modeling of both parametric alloys and more realistic binary systems (W–Ta and W–Nb) across the full composition range, we show that the mismatch of elastic constants between the alloy constituents can have an effect comparable to, or even greater than, the size mismatch. This contrasts with some solid solution strengthening theories, which assume a homogeneous elastic medium. Our results further demonstrate that the combined effects of size and modulus mismatches are well captured by a quadratic form, consistent with historical phenomenological approaches.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"268 ","pages":"Article 116879"},"PeriodicalIF":5.3,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144685431","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 : 2025-07-23DOI: 10.1016/j.scriptamat.2025.116889
Peng Sun , Rensong Huang , Li Wan , Yunxiang Zhang , Shanju Zheng , Xiaohong Yuan , Mengnie Li
{"title":"Contribution of dynamic recrystallization mechanism to the transformation of orientation preference in Al-Mg-Si alloy","authors":"Peng Sun , Rensong Huang , Li Wan , Yunxiang Zhang , Shanju Zheng , Xiaohong Yuan , Mengnie Li","doi":"10.1016/j.scriptamat.2025.116889","DOIUrl":"10.1016/j.scriptamat.2025.116889","url":null,"abstract":"<div><div>Control of texture components is critical for optimizing the mechanical performance of metallic alloys, yet strategies for tailoring specific texture types remain elusive. We report the correlation between lattice rotation behavior during texture formation and distinct dynamic recrystallization (DRX) mechanisms in Al-Mg-Si alloys. Lattice rotation was further interpreted through the activation of slip systems with the maximum or secondary Schmid factor (SF). The results demonstrate that P texture develops primarily due to localized stress from dislocation accumulation, which drives grain rotation toward low-energy orientations. Under continuous dynamic recrystallization (CDRX), dislocation pile-up combined with sub-grain rotation further contributes to its stabilization. The Cube texture evolution predominantly relies on geometric dynamic recrystallization (GDRX) and discontinuous dynamic recrystallization (DDRX) mechanisms. These mechanisms provide preferential recrystallization driving forces, promoting the selective growth of grains. This study provides theoretical support for tailoring texture in Al-Mg-Si alloys through controlled DRX mechanisms during industrial rolling.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"268 ","pages":"Article 116889"},"PeriodicalIF":5.3,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144685432","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 : 2025-07-22DOI: 10.1016/j.scriptamat.2025.116861
C.J.A. Mornout , G. Slokker , T. Vermeij , D. König , J.P.M. Hoefnagels
{"title":"SLIDE: Automated identification and quantification of grain boundary sliding and opening in 3D","authors":"C.J.A. Mornout , G. Slokker , T. Vermeij , D. König , J.P.M. Hoefnagels","doi":"10.1016/j.scriptamat.2025.116861","DOIUrl":"10.1016/j.scriptamat.2025.116861","url":null,"abstract":"<div><div>Grain Boundary (GB) deformation mechanisms such as Sliding (GBS) and Opening (GBO) are prevalent in alloys at high homologous temperatures but are hard to capture quantitatively. We propose an automated procedure to quantify 3D GB deformations at the nanoscale, using a combination of precisely aligned Digital Image Correlation (DIC), electron backscatter diffraction, optical profilometry, and in-beam secondary electron maps. The framework, named <strong>S</strong>liding identification by <strong>L</strong>ocal <strong>I</strong>ntegration of <strong>D</strong>isplacements across <strong>E</strong>dges (<strong>SLIDE</strong>), (i) distinguishes GBS from GBO, (ii) computes the datapoint-wise measured in-plane displacement gradient tensor (from DIC), (iii) projects this data onto the theoretical GBS tensor to reject near-GB plasticity/elasticity/noise, and (iv) adds the out-of-plane step from optical profilometry to yield the local 3D GBS/GBO vector; automatically repeated for each ∼50 nm-long GB segment. SLIDE is validated on a virtual experiment of discrete 3D sliding, and successfully applied to Zn-coated steel experiments, yielding quantitative GBS/GBO activity maps.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"268 ","pages":"Article 116861"},"PeriodicalIF":5.3,"publicationDate":"2025-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144678938","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 : 2025-07-21DOI: 10.1016/j.scriptamat.2025.116885
A.R. Dilipan , H. Sepehri-Amin , I. Suzuki , Y.K. Takahashi
{"title":"Achieving high-density L10-FePt granular films on an electrically conductive (Mg,Ti)O underlayer for HAMR media","authors":"A.R. Dilipan , H. Sepehri-Amin , I. Suzuki , Y.K. Takahashi","doi":"10.1016/j.scriptamat.2025.116885","DOIUrl":"10.1016/j.scriptamat.2025.116885","url":null,"abstract":"<div><div>Chemically ordered <em>L</em>1<sub>0</sub>-FePt recording media with a microstructure composed of small, columnar grains and high-grain density are essential for high-storage-capacity heat-assisted magnetic recording (HAMR) media. Achieving this microstructure requires suitable segregants and an efficient underlayer. This study demonstrates the growth of <em>L</em>1<sub>0</sub>-FePt granular films with C and BN segregants on MgO substrate, with and without a (Mg,Ti)O underlayer. Microstructural analysis reveals that FePt-C grown on (Mg,Ti)O shows larger grain size (∼11.1 nm) and lower grain density (4.8 Tbit/in<sup>2</sup>), while FePt-BN films on (Mg,Ti)O show smaller grains (∼6.6 nm) with twofold higher grain density (9.0 Tbit/in<sup>2</sup>). Cross-sectional microstructural analysis reveals Ti and N enrichment at the FePt-BN and (Mg,Ti)O interface contributes to restricted lateral grain growth and promotes columnar grain formation. These results suggest that the FePt-BN is an optimal choice for achieving fine-grained microstructures with high-density on the electrically conductive (Mg,Ti)O underlayer for HAMR media.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"268 ","pages":"Article 116885"},"PeriodicalIF":5.3,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144670682","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 : 2025-07-21DOI: 10.1016/j.scriptamat.2025.116867
Khanh Dang, Laurent Capolungo
{"title":"The role of {101¯2} tension and {112¯2} compression twins on the α to ω phase transformation in Ti","authors":"Khanh Dang, Laurent Capolungo","doi":"10.1016/j.scriptamat.2025.116867","DOIUrl":"10.1016/j.scriptamat.2025.116867","url":null,"abstract":"<div><div>The role of preexisting twin networks on the phase transformation from hexagonal close packed (HCP) <span><math><mi>α</mi></math></span> Ti to <span><math><mi>ω</mi></math></span> hexagonal Ti remains relatively unexplored. In this work, we study these effects from both thermodynamics and kinetics standpoints. We utilize an isotropic and linear elasticity micromechanical model alongside MD simulations to determine the effects of preexisting twins on the stability of <span><math><mi>ω</mi></math></span> nucleus. It is found that from a thermodynamic standpoint, both preexisting <span><math><mrow><mo>{</mo><mrow><mn>10</mn><mover><mn>1</mn><mo>¯</mo></mover><mn>2</mn></mrow><mo>}</mo></mrow></math></span> tension and <span><math><mrow><mo>{</mo><mrow><mn>11</mn><mover><mn>2</mn><mo>¯</mo></mover><mn>2</mn></mrow><mo>}</mo></mrow></math></span> compression twins promote nucleation of <span><math><mi>ω</mi></math></span> nucleus (with non-cozone orientation relationship) within the twin, with the former having a greater effect in reducing the critical radius and thus the overall activation barrier. MD simulations reveal that the growth of the <span><math><mi>ω</mi></math></span> nucleus is stopped by the <span><math><mrow><mo>{</mo><mrow><mn>11</mn><mover><mn>2</mn><mo>¯</mo></mover><mn>2</mn></mrow><mo>}</mo></mrow></math></span> CTB but not the <span><math><mrow><mo>{</mo><mrow><mn>10</mn><mover><mn>1</mn><mo>¯</mo></mover><mn>2</mn></mrow><mo>}</mo></mrow></math></span> CTB; thereby showing the role of short-range pinning of boundaries.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"268 ","pages":"Article 116867"},"PeriodicalIF":5.3,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144670681","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 : 2025-07-21DOI: 10.1016/j.scriptamat.2025.116880
Xiuling Shi , Jiaqi Zhu , Bingxu Chen , Bin Cao , Binfeng Lv , Zihan Wang , Sheng Sun , Kaikai Li , Tong-Yi Zhang
{"title":"Dissecting the chemical strain in inactive components of sodium-ion battery cathodes","authors":"Xiuling Shi , Jiaqi Zhu , Bingxu Chen , Bin Cao , Binfeng Lv , Zihan Wang , Sheng Sun , Kaikai Li , Tong-Yi Zhang","doi":"10.1016/j.scriptamat.2025.116880","DOIUrl":"10.1016/j.scriptamat.2025.116880","url":null,"abstract":"<div><div>While chemical strain in the active material of sodium-ion battery (SIB) cathodes during ion insertion/extraction is minimal, inactive components can induce substantial overall strain, compromising stability and performance. This work takes NaNi<sub>1/3</sub>Fe<sub>1/3</sub>Mn<sub>1/3</sub>O<sub>2</sub> (NFM) as a model cathode and dissects the chemical strain in inactive components by combining <em>operando</em> XRD and digital image correlation techniques to simultaneously measure the chemically induced phase transformation strain and overall strain. Results reveal considerable negative strain during initial charge and positive strain after discharge, and the positive residual strain accumulates over cycles. A mechanochemical model reveals that the chemical strain in inactive components far exceeds those in active materials, contributing to the large overall strain. This work introduces an innovative approach to quantify the chemical strain in the inactive components, enhances our understanding of electrochemical-mechanical coupling, and guides the development of mechanically robust SIB cathodes.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"268 ","pages":"Article 116880"},"PeriodicalIF":5.3,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144670680","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 : 2025-07-20DOI: 10.1016/j.scriptamat.2025.116874
Erika Zaiser , Adnan Fareed , Anna M. Manzoni , Melanie C. Paulisch-Rinke , Wei-Che Hsu , An-Chou Yeh , Hideyuki Murakami , Florian Vogel , Robert Maaß
{"title":"Pinning-dominated strengthening in high-entropy superalloys","authors":"Erika Zaiser , Adnan Fareed , Anna M. Manzoni , Melanie C. Paulisch-Rinke , Wei-Che Hsu , An-Chou Yeh , Hideyuki Murakami , Florian Vogel , Robert Maaß","doi":"10.1016/j.scriptamat.2025.116874","DOIUrl":"10.1016/j.scriptamat.2025.116874","url":null,"abstract":"<div><div>Hierarchical microstructural design of high-entropy superalloys offers novel strengthening pathways beyond classical superalloys. Here we assess the strength of isolated γ’ precipitates with and without an additional internal γ nanophase. The results show that nano-precipitation within the γ’ phase leads to a marked statistical reduction of the dislocation-nucleation limited yield strength. In concert with disorder-driven chemical weakening of the γ’ phase, these findings indicate that bulk strengthening due to hierarchical microstructural design in high-entropy superalloys must primarily be pinning dominated.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"268 ","pages":"Article 116874"},"PeriodicalIF":5.3,"publicationDate":"2025-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144670679","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":"First-principles calculations of hydrogen trapping energy at an edge dislocation core in iron","authors":"Masatake Yamaguchi , Ken-ichi Ebihara , Mitsuhiro Itakura","doi":"10.1016/j.scriptamat.2025.116887","DOIUrl":"10.1016/j.scriptamat.2025.116887","url":null,"abstract":"<div><div>Understanding the mechanism of hydrogen embrittlement in steel requires knowledge of hydrogen trapping behavior at lattice defects in iron. However, first-principles calculations using atomistic modeling of an edge dislocation core in body-centered cubic ferromagnetic iron remain challenging because they require several hundred atoms for the core structure and must account for the influence of a long-range strain field around the core. We calculated the hydrogen trapping energies at iron’s most common edge dislocation core from first principles; we used a relatively small unit cell (378 Fe atoms) containing two cores of opposite signs with periodic boundary conditions. The cell size dependence of the hydrogen trapping energies was estimated using a recently developed machine-learning neural network potential for the iron-hydrogen system. Although the small cell size led to overestimating the trapping energy, it was less than 10 %.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"268 ","pages":"Article 116887"},"PeriodicalIF":5.3,"publicationDate":"2025-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144663230","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 : 2025-07-19DOI: 10.1016/j.scriptamat.2025.116881
Zachary Chase , Tomas Seager , Dean Cheikh , Billy Chun-Yip Li , Bryan McEnerney , Jonathan Guerra , John P. Borgonia , Samad Firdosy , Katherine T. Faber
{"title":"Integrating laser-powder bed fusion and reaction bonding: A hybrid approach to high-temperature ceramic fabrication","authors":"Zachary Chase , Tomas Seager , Dean Cheikh , Billy Chun-Yip Li , Bryan McEnerney , Jonathan Guerra , John P. Borgonia , Samad Firdosy , Katherine T. Faber","doi":"10.1016/j.scriptamat.2025.116881","DOIUrl":"10.1016/j.scriptamat.2025.116881","url":null,"abstract":"<div><div>Laser-powder bed fusion has gained interest as a means of creating complex structures, but the process is limited in certain ceramic systems due to thermal shock and low light absorption during printing, preventing its use in high-temperature ceramics. To overcome such challenges, a two-stage method is proposed which couples laser-powder bed fusion of blended metal and ceramic powders followed by a high-temperature reaction bonding, during which the metal is converted to the ceramic through oxidation. Using aluminum oxide and yttria-stabilized zirconia as a model composite system, the hybrid laser-powder bed fusion-reaction bonding method is verified; microscopic and spectroscopic analyses confirmed intermixed oxide phases, while X-ray diffraction revealed key phase transformations. Although contrasting effects of volumetric expansion of aluminum to aluminum oxide versus densification during reaction bonding are observed, this work establishes laser-powder bed fusion-reaction bonding as a potential method for a broad range of high-performance ceramics.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"268 ","pages":"Article 116881"},"PeriodicalIF":5.3,"publicationDate":"2025-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144663231","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 : 2025-07-17DOI: 10.1016/j.scriptamat.2025.116884
R. Vidyasagar , T. Udaybaskarrao , S.K. Jakka
{"title":"Observation of self-trapped polaron exciton signatures in ligand-assisted lead halide perovskite nanocrystals","authors":"R. Vidyasagar , T. Udaybaskarrao , S.K. Jakka","doi":"10.1016/j.scriptamat.2025.116884","DOIUrl":"10.1016/j.scriptamat.2025.116884","url":null,"abstract":"<div><div>We report the spectroscopic observation of self-trapped polaron exciton signatures in colloidally synthesized, ligand-assisted CsPbBr<sub>3<img></sub>Cs<sub>4</sub>PbBr<sub>6</sub> nanocrystals. Temperature dependence of photoluminescence spectroscopy show broad shoulder emissions below the exciton signatures in visible wavelength region, which are attributed to the formation of self-trapped polaron excitons corresponding to the relaxation of electrons and holes localized at Pb<sub>2</sub><sup>3+</sup>, and Pb<sup>3+</sup> sites, respectively. While self-trapped polaron exciton emission peaks shifted to lower energies side, its intensity substantially enhanced as the temperature decreases from 180 to 14 K. The polaron<strong>-</strong>excitons band splitting is attributed to the changes <strong>in</strong> self-trapped <strong>energy</strong> levels <strong>driven</strong> by the <strong>strong</strong> exchange field of Pb-6<em>p</em> orbitals during relaxation process, coupled with specific lattice distortions <strong>arising from phonon anharmonicity; those</strong> self-trapped carriers act like non-radiative centers for deteriorating exciton <strong>emission</strong> intensity.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"268 ","pages":"Article 116884"},"PeriodicalIF":5.3,"publicationDate":"2025-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144654947","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}