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Lattice resonance-induced kinematic nucleation of twins in crystalline materials 晶体材料中晶格共振诱导孪晶的运动成核
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-07-28 DOI: 10.1016/j.scriptamat.2025.116893
Mark James Wootton, Beñat Gurrutxaga-Lerma
{"title":"Lattice resonance-induced kinematic nucleation of twins in crystalline materials","authors":"Mark James Wootton,&nbsp;Beñat Gurrutxaga-Lerma","doi":"10.1016/j.scriptamat.2025.116893","DOIUrl":"10.1016/j.scriptamat.2025.116893","url":null,"abstract":"<div><div>We present a novel mechanism for twin nucleation in crystalline materials—kinematic twin nucleation—where dislocations spontaneously dissociate into twinning partials due to lattice resonance at specific glide velocities. By modelling dislocation motion using harmonic lattice formalism as moving Kanzaki force distributions in a perfect lattice, we identify resonance velocities where lattice trapping occurs via Van Hove singularities, leading to amplified atomic displacements and the destabilisation of the dislocation core. Molecular dynamics simulations in body-centred cubic (bcc) and hexagonal close-packed (hcp) metals confirm that dislocations moving near these resonance velocities spontaneously dissociate into twinning partials, initiating twin formation without other agency than their own motion, and bypassing energy barriers long since thought to be too high for spontaneous dissociations of dislocations into twinning partials to be possible. Our findings provide a physical rationale for twin structures observed in bcc Fe, and emphasise the crucial role of lattice dynamics in plastic deformation. This universal mechanism expands our understanding of twin nucleation, and opens new avenues for tailoring mechanical properties through controlled manipulation of dislocation velocities.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"268 ","pages":"Article 116893"},"PeriodicalIF":5.3,"publicationDate":"2025-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144714126","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}
引用次数: 0
The phase formation, dendrite growth kinetics and spontaneous grain refinement in a novel D03-type undercooled FeCoNiGe multi-principal element intermetallic 新型d03型过冷FeCoNiGe多主元素金属间化合物的相形成、枝晶生长动力学和自发晶粒细化
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-07-26 DOI: 10.1016/j.scriptamat.2025.116897
Dexu Cui , Zhiyuan Huang , Yafei Cui , Jianbao Zhang , Xinxin Wang , Jiarun Qu , Weibing Wang , Ji-jung Kai , Haifeng Wang
{"title":"The phase formation, dendrite growth kinetics and spontaneous grain refinement in a novel D03-type undercooled FeCoNiGe multi-principal element intermetallic","authors":"Dexu Cui ,&nbsp;Zhiyuan Huang ,&nbsp;Yafei Cui ,&nbsp;Jianbao Zhang ,&nbsp;Xinxin Wang ,&nbsp;Jiarun Qu ,&nbsp;Weibing Wang ,&nbsp;Ji-jung Kai ,&nbsp;Haifeng Wang","doi":"10.1016/j.scriptamat.2025.116897","DOIUrl":"10.1016/j.scriptamat.2025.116897","url":null,"abstract":"<div><div>Though considerable efforts have been dedicated to multi-principal-element alloy design, the comprehension of their solidification characteristics remains limited. In this work, a FeCoNiGe multi-principal element intermetallic (MPEI) with D0<sub>3</sub> (∼99.4 vol.%) and trace L1<sub>2</sub> phase was prepared via undercooled rapid solidification. Using <em>ab initio</em> analysis, we find the retention of high-temperature stable D0<sub>3</sub> phase is due to sluggish diffusion, which strongly inhibits the D0<sub>3</sub>→L1<sub>2</sub> phase transformation. During the undercooled solidification process of D0<sub>3</sub> phase, disorder trapping has been investigated <em>in situ</em> at an intermediate undercooling of 123 K. In addition, the particular role of sub-grains evolution in spontaneous grain refinement of this FeCoNiGe was uncovered employing a EBSD analysis. Our study expands the phase diversities of MPEIs and provides pioneering insights into the unique solidification mechanisms governing D0<sub>3</sub>-phase alloys</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"268 ","pages":"Article 116897"},"PeriodicalIF":5.3,"publicationDate":"2025-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144711932","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}
引用次数: 0
A predictive analytical model of electrical transport in multi-principal-element alloys 多主元素合金电输运的预测分析模型
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-07-26 DOI: 10.1016/j.scriptamat.2025.116896
Michael J. Abere , Amun Jarzembski , Shane L. McPherson , Hailong Huang , Anthony McDonald , Toai Ton-That , Nicolas Argibay
{"title":"A predictive analytical model of electrical transport in multi-principal-element alloys","authors":"Michael J. Abere ,&nbsp;Amun Jarzembski ,&nbsp;Shane L. McPherson ,&nbsp;Hailong Huang ,&nbsp;Anthony McDonald ,&nbsp;Toai Ton-That ,&nbsp;Nicolas Argibay","doi":"10.1016/j.scriptamat.2025.116896","DOIUrl":"10.1016/j.scriptamat.2025.116896","url":null,"abstract":"<div><div>A predictive analytical model is presented for the electrical conductivity of multi-principal-element alloys (MPEAs), including those containing aluminum, transition metals, and refractory metals. Given that the lattice parameter of the Wigner-Seitz cell of an MPEA is similarly variable to a bulk metallic glass, it is postulated that electron scattering can be approximated by a series of two-level systems. The resulting reduced-order model enabled an accurate determination of electrical resistivity and electron thermal conductivity based on the scattering of electrons in a two-level system across a Bloch-potential-based virtual crystal approximation. Model results are compared to experimental four-point probe electrical resistivity measurements between 300 K and 700 K for Al<sub>0.3</sub>CoCrCuFeNi, CoCrFeMnNi, (CoCrFeMnNi)<sub>0.98</sub>W<sub>0.02</sub>, (CoCrFeMnNi)<sub>0.95</sub>W<sub>0.05</sub>, and Nb<sub>4</sub>Ta<sub>4</sub>V<sub>3</sub>Ti, for model validation.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"268 ","pages":"Article 116896"},"PeriodicalIF":5.3,"publicationDate":"2025-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144711933","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}
引用次数: 0
Strong effect of magnetism at the cobalt-magnesium solid-liquid interface 钴镁固液界面处的强磁效应
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-07-25 DOI: 10.1016/j.scriptamat.2025.116892
Weida Fu , Tao Hu , Guicheng Zhang , Sheng Qian , Weidong Xuan , Yang Yang , David J. Singh , Zhongming Ren
{"title":"Strong effect of magnetism at the cobalt-magnesium solid-liquid interface","authors":"Weida Fu ,&nbsp;Tao Hu ,&nbsp;Guicheng Zhang ,&nbsp;Sheng Qian ,&nbsp;Weidong Xuan ,&nbsp;Yang Yang ,&nbsp;David J. Singh ,&nbsp;Zhongming Ren","doi":"10.1016/j.scriptamat.2025.116892","DOIUrl":"10.1016/j.scriptamat.2025.116892","url":null,"abstract":"<div><div>We studied atomic structure of Mg melts at the interface with ferromagnetic Co using first-principles molecular dynamics simulations. The exchange interaction between Co and Mg is weak with an induced interfacial Mg moment of only approximately 0.02 μ<em><sub>B</sub></em> per Mg atom. Nonetheless, magnetism substantially modifies the structure of the solid-liquid interface, with the solid-liquid interfacial distance increasing by 10 %. Magnetism reduces the ordering of the liquid layers while altering their dynamical properties, which may influence interfacial behaviours relevant to nucleation. Additionally, the magnetism of the Co substrate leads to greater energy differences and reduces electron transfer across the interface. These findings offer valuable insights into the role of magnetism at heterogeneous solid-liquid interfaces, advancing our understanding of the intricate interplay between magnetic and electronic effects during solidification.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"268 ","pages":"Article 116892"},"PeriodicalIF":5.3,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144711931","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}
引用次数: 0
Experimental measurement of threshold displacement energy in beryllium 铍中阈值位移能的实验测量
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-07-25 DOI: 10.1016/j.scriptamat.2025.116891
Tonghao Wang , Pingping Liu , Shaoning Jiang , Shujing Wang , Shuai Wang , Yuming Fu , Futian Chen , Xiaoou Yi , Wentuo Han , Qian Zhan , Farong Wan
{"title":"Experimental measurement of threshold displacement energy in beryllium","authors":"Tonghao Wang ,&nbsp;Pingping Liu ,&nbsp;Shaoning Jiang ,&nbsp;Shujing Wang ,&nbsp;Shuai Wang ,&nbsp;Yuming Fu ,&nbsp;Futian Chen ,&nbsp;Xiaoou Yi ,&nbsp;Wentuo Han ,&nbsp;Qian Zhan ,&nbsp;Farong Wan","doi":"10.1016/j.scriptamat.2025.116891","DOIUrl":"10.1016/j.scriptamat.2025.116891","url":null,"abstract":"<div><div>Threshold displacement energy (E<sub>d</sub>) is the most fundamental parameter defining and characterizing the irradiation damage of materials. However, there are no experimental values of the E<sub>d</sub> available for beryllium. The beryllium’s E<sub>d</sub> has been experimentally determined using conventional transmission electron microscopy. The orientation dependence for the onset of electron damage has been analyzed for beryllium when irradiated along 〈0001〉, &lt;01<span><math><mover><mn>1</mn><mo>¯</mo></mover></math></span>0&gt;, &lt;1<span><math><mrow><mover><mn>2</mn><mo>¯</mo></mover><mn>1</mn><mover><mn>3</mn><mo>¯</mo></mover></mrow></math></span>&gt; and &lt;2<span><math><mrow><mover><mn>1</mn><mo>¯</mo></mover><mover><mn>1</mn><mo>¯</mo></mover></mrow></math></span>0&gt;. The values of E<sub>d</sub> along these directions are found to be for beryllium, E<sub>d</sub>&lt;0001≥35.0 ± 0.8 eV, E<sub>d</sub>&lt;01<span><math><mover><mn>1</mn><mo>¯</mo></mover></math></span>0 ≥ 30.5 ± 0.7 eV, E<sub>d</sub>&lt;1<span><math><mrow><mover><mn>2</mn><mo>¯</mo></mover><mn>1</mn><mover><mn>3</mn><mo>¯</mo></mover></mrow></math></span>≥29.0 ± 0.7 eV and E<sub>d</sub>&lt;2<span><math><mrow><mover><mn>1</mn><mo>¯</mo></mover><mover><mn>1</mn><mo>¯</mo></mover></mrow></math></span>0 ≥ 27.6 ± 0.8 eV. The orientation dependence of the displacement threshold energy of beryllium has also been discussed.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"268 ","pages":"Article 116891"},"PeriodicalIF":5.3,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144702533","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}
引用次数: 0
Tailoring σ-phase precipitation for enhanced strength-plasticity in arc-based direct energy-deposited FeCoCrNiMnMo high-entropy alloy 电弧基直接能量沉积feccrnimnmo高熵合金中定制σ相析出提高强度塑性
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-07-25 DOI: 10.1016/j.scriptamat.2025.116894
Fissha Biruke Teshome , Miao Zhao , Jiajia Shen , J.P. Oliveira , Chen Long , Jian Li , Bei Peng , N. Schell , Zhi Zeng
{"title":"Tailoring σ-phase precipitation for enhanced strength-plasticity in arc-based direct energy-deposited FeCoCrNiMnMo high-entropy alloy","authors":"Fissha Biruke Teshome ,&nbsp;Miao Zhao ,&nbsp;Jiajia Shen ,&nbsp;J.P. Oliveira ,&nbsp;Chen Long ,&nbsp;Jian Li ,&nbsp;Bei Peng ,&nbsp;N. Schell ,&nbsp;Zhi Zeng","doi":"10.1016/j.scriptamat.2025.116894","DOIUrl":"10.1016/j.scriptamat.2025.116894","url":null,"abstract":"<div><div>High-entropy alloys (HEAs) are novel materials with outstanding properties, showing potential for advanced engineering applications. Recent advancements in HEA design are complemented by studies correlating fabrication techniques to their performance. This study introduces the pioneering use of an ultra-high-frequency pulsed current (UHFPC) TIG heat source in directed energy deposition (DED) with dual alloy-wires for the fabrication of non-equiatomic FeCoCrNiMnMo HEAs. A comprehensive evaluation of the microstructural and mechanical behavior of as-deposited and heat-treated material, guided by CALPHAD methods, is presented. The use of UHFPC significantly refined the microstructure and promoted homogeneity, enabling the formation of a ductile FCC matrix in the as-deposited state. Subsequent heat-treatment induced recrystallization and σ-phase precipitation at the grain boundaries, enhancing strength via dislocation-precipitation strengthening synergy. The CALPHAD-informed heat-treatment led to ∼44.2 % and ∼33.4 % increase in yield and ultimate tensile strength, respectively, while preserving superior elongation (∼58 %), underscoring the potential of TIG-based-DED to fabricate HEA parts for advanced applications.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"268 ","pages":"Article 116894"},"PeriodicalIF":5.3,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144702537","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}
引用次数: 0
Enhancing the fracture resistance of 3D printed Zirconia via gyroid structures 通过旋转结构增强3D打印氧化锆的抗断裂能力
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-07-24 DOI: 10.1016/j.scriptamat.2025.116888
Dahyun D. Lim , Vineeth Parashivamurthy , Jeong-Ho Lee , Xueying Zhao , Amar Kaul , Saman Gheytani , Grace X. Gu
{"title":"Enhancing the fracture resistance of 3D printed Zirconia via gyroid structures","authors":"Dahyun D. Lim ,&nbsp;Vineeth Parashivamurthy ,&nbsp;Jeong-Ho Lee ,&nbsp;Xueying Zhao ,&nbsp;Amar Kaul ,&nbsp;Saman Gheytani ,&nbsp;Grace X. Gu","doi":"10.1016/j.scriptamat.2025.116888","DOIUrl":"10.1016/j.scriptamat.2025.116888","url":null,"abstract":"<div><div>Zirconia, a non-metallic technical ceramic, is known for its high strength, corrosion resistance, and excellent thermal and chemical stability, making it indispensable in industries such as semiconductor manufacturing and medical applications like dentistry and implants. However, despite its mechanical advantages, zirconia’s inherent brittleness and limited strain tolerance often lead to catastrophic failure under load. In this study, we explore the fabrication of additively manufactured gyroid structures using zirconia through Lithography-based ceramic manufacturing (LCM). Results show that optimizing the lattice constant and relative density of gyroid distributes cracks across multiple segments instead of a single site, thereby boosting both strain tolerance and energy absorption. The gyroid topology mitigates stress concentrations, giving zirconia a graceful, progressive failure mode instead of catastrophic breakage. This integrated approach, combining advanced fabrication tools with strategic architectural design, offers a path toward lightweight, damage-tolerant ceramic systems suitable for demanding environments.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"268 ","pages":"Article 116888"},"PeriodicalIF":5.3,"publicationDate":"2025-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144697022","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}
引用次数: 0
What pins edge dislocations in random alloys? Comparing size and elastic heterogeneities 在随机合金中是什么导致了边缘位错?比较尺寸和弹性非均质性
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-07-23 DOI: 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 ,&nbsp;Pierre-Antoine Geslin ,&nbsp;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}
引用次数: 0
Contribution of dynamic recrystallization mechanism to the transformation of orientation preference in Al-Mg-Si alloy 动态再结晶机制对Al-Mg-Si合金取向偏好转变的贡献
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-07-23 DOI: 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 ,&nbsp;Rensong Huang ,&nbsp;Li Wan ,&nbsp;Yunxiang Zhang ,&nbsp;Shanju Zheng ,&nbsp;Xiaohong Yuan ,&nbsp;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}
引用次数: 0
SLIDE: Automated identification and quantification of grain boundary sliding and opening in 3D SLIDE:在三维中自动识别和定量晶界滑动和打开
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-07-22 DOI: 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 ,&nbsp;G. Slokker ,&nbsp;T. Vermeij ,&nbsp;D. König ,&nbsp;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}
引用次数: 0
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