Scripta Materialia最新文献_第9页

Anisotropic slip behaviour of lath martensite block in ultra-low carbon steel 超低碳钢中板条马氏体块的各向异性滑移行为

IF 5.3 2区材料科学

Scripta Materialia Pub Date : 2024-09-23 DOI: 10.1016/j.scriptamat.2024.116389

Shohei Ueki , Shigekazu Morito

引用次数: 0

Thermal and dynamic partition of dumbbell interstitials in complex concentrated alloys 复杂浓缩合金中哑铃状间隙的热分割和动态分割

IF 5.3 2区材料科学

Scripta Materialia Pub Date : 2024-09-23 DOI: 10.1016/j.scriptamat.2024.116392

Peng Wei , Assel Aitkaliyeva , Douglas Spearot , Yongfeng Zhang

{"title":"Thermal and dynamic partition of dumbbell interstitials in complex concentrated alloys","authors":"Peng Wei , Assel Aitkaliyeva , Douglas Spearot , Yongfeng Zhang","doi":"10.1016/j.scriptamat.2024.116392","DOIUrl":"10.1016/j.scriptamat.2024.116392","url":null,"abstract":"<div><div>Complex concentrated alloys (CCAs) are promising candidates for applications in extreme conditions, such as irradiation where interstitial mediated diffusion is important. In CCAs with <span><math><mi>N</mi></math></span> principal elements, <span><math><mfrac><mrow><mi>N</mi><mo>(</mo><mrow><mi>N</mi><mo>+</mo><mn>1</mn></mrow><mo>)</mo></mrow><mn>2</mn></mfrac></math></span> types of dumbbell interstitials exist. Currently, there is no way to predict the thermal partition (fractional concentration at equilibrium) and the dynamic partition (fractional time an interstitial spends during diffusion) of each type of dumbbell interstitial. To mitigate this issue, this work proposes a theoretical model for computing the equilibrium concentrations and thermal partition of dumbbell interstitials in CCAs and validates the model using grand canonical Monte Carlo simulations. Lattice kinetic Monte Carlo simulations show that the thermal partition is equivalent to the dynamic partition, and both are governed by composition and formation energies of dumbbells. The model proposed provides a foundation for understanding radiation enhanced diffusion and induced segregation in CCAs under irradiation.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"255 ","pages":"Article 116392"},"PeriodicalIF":5.3,"publicationDate":"2024-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142314857","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

Grain boundary assisted formation of disordered layers 晶界辅助形成无序层

IF 5.3 2区材料科学

Scripta Materialia Pub Date : 2024-09-21 DOI: 10.1016/j.scriptamat.2024.116378

Eugen Rabkin , Alexander R. Umantsev

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Using ab initio molecular dynamics to determine the mobility of single, di and tri self-interstitial configurations in hcp Zr 利用 ab initio 分子动力学确定 hcp Zr 中单、二和三自间隙构型的迁移率

IF 5.3 2区材料科学

Scripta Materialia Pub Date : 2024-09-21 DOI: 10.1016/j.scriptamat.2024.116386

Clément Sakaël , Christophe Domain , Antoine Ambard , Ludovic Thuinet , Alexandre Legris

{"title":"Using ab initio molecular dynamics to determine the mobility of single, di and tri self-interstitial configurations in hcp Zr","authors":"Clément Sakaël , Christophe Domain , Antoine Ambard , Ludovic Thuinet , Alexandre Legris","doi":"10.1016/j.scriptamat.2024.116386","DOIUrl":"10.1016/j.scriptamat.2024.116386","url":null,"abstract":"<div><div>Atomic configurations and activation energies for diffusion of point defects and point defects clusters are important elements to consider when predicting the microstructural evolution of zirconium-based materials under irradiation. Using Density Functional Theory (DFT) we performed molecular dynamics (MD) calculations to determine the diffusion coefficient of self-interstitials (SIA) clusters containing up to three atoms in the hexagonal close packed (hcp) structure of zirconium. The calculated values of the activation energy for single SIA diffusion are in line with previous DFT studies performed with accurate constrained minimization techniques, which validates the adopted methodology. Diffusion in the basal plane is similar for mono-, di- and tri-SIAs but diffusion along the <span><math><mover><mi>c</mi><mo>→</mo></mover></math></span> axis is significantly slowed down by the addition of SIA. Quantitative differences with existing empirical potential results highlight the usefulness of the <em>ab initio</em> MD calculations reported in this work.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"255 ","pages":"Article 116386"},"PeriodicalIF":5.3,"publicationDate":"2024-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142314851","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

Annealing-dependent elastic microstructure in a Zr-based metallic glass 锆基金属玻璃中与退火有关的弹性微观结构

IF 5.3 2区材料科学

Scripta Materialia Pub Date : 2024-09-19 DOI: 10.1016/j.scriptamat.2024.116380

R. Rashidi , B. Riechers , J.M. Rosalie , R. Maaß

引用次数: 0

Role of retrogression and reaging in suppressing hydrogen-induced transgranular cracking in 7xxx Al alloys 逆变和再时效在抑制 7xxx Al 合金中氢诱导的跨晶格裂纹中的作用

IF 5.3 2区材料科学

Scripta Materialia Pub Date : 2024-09-19 DOI: 10.1016/j.scriptamat.2024.116383

Yafei Wang , Hiroyuki Toda , Hiro Fujihara , Kazuyuki Shimizu , Kyosuke Hirayama , Akihisa Takeuchi , Masayuki Uesugi

{"title":"Role of retrogression and reaging in suppressing hydrogen-induced transgranular cracking in 7xxx Al alloys","authors":"Yafei Wang , Hiroyuki Toda , Hiro Fujihara , Kazuyuki Shimizu , Kyosuke Hirayama , Akihisa Takeuchi , Masayuki Uesugi","doi":"10.1016/j.scriptamat.2024.116383","DOIUrl":"10.1016/j.scriptamat.2024.116383","url":null,"abstract":"<div><div>Retrogression and reaging (RRA) treatment is a distinctive approach to counteract hydrogen embrittlement in 7xxx Al alloys without compromising strength. However, the mechanistic understanding of RRA has long centered around grain-boundary-related phenomena, while the roles of grain-interior microstructures in hydrogen embrittlement have remained unclear. Here, we demonstrate the beneficial effect of RRA in reducing transgranular cracks in a specially selected high-Zn alloy that exhibits fully quasi-cleavage cracking, thereby enabling the precise decoupling of grain-interior and grain-boundary mechanisms. Using synchrotron radiation 3D observations, we identify a significant delay in the initiation of transgranular cracks in RRA-treated specimens as compared to those in the peak-aged condition. Atomic-resolution electron microscopy observations confirm the grain-interior partial transformation from the coherent η’ phase to the semi-coherent η phase. It is proposed that the increased fraction of semi-coherent η/Al interfaces reduces hydrogen coverage at coherent interfaces, thereby suppressing transgranular hydrogen-induced debonding on the slip planes.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"255 ","pages":"Article 116383"},"PeriodicalIF":5.3,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142314854","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

Double barocaloric effects in ferroelastic Pb3V2O8 铁弹性 Pb3V2O8 中的双重巴焦效应

IF 5.3 2区材料科学

Scripta Materialia Pub Date : 2024-09-19 DOI: 10.1016/j.scriptamat.2024.116385

Peng Wang , Tingjiao Xiong , Jiang Zhu , Chenlong Wei , Keke Liu , Peng Tong

引用次数: 0

Revealing extraordinary plasticity in single crystal Fe-15Mn-10Cr-8Ni-4Si alloy 揭示单晶铁-15Mn-10Cr-8Ni-4Si 合金的超常塑性

IF 5.3 2区材料科学

Scripta Materialia Pub Date : 2024-09-18 DOI: 10.1016/j.scriptamat.2024.116382

Digvijay Singh, Fumiyoshi Yoshinaka, Susumu Takamori, Satoshi Emura, Takahiro Sawaguchi

{"title":"Revealing extraordinary plasticity in single crystal Fe-15Mn-10Cr-8Ni-4Si alloy","authors":"Digvijay Singh, Fumiyoshi Yoshinaka, Susumu Takamori, Satoshi Emura, Takahiro Sawaguchi","doi":"10.1016/j.scriptamat.2024.116382","DOIUrl":"10.1016/j.scriptamat.2024.116382","url":null,"abstract":"<div><p>An extraordinary elongation of over 156 % was achieved in single crystal Fe-15Mn-10Cr-8Ni-4Si alloy, which shows γ → ε → α’ transformation. Tensile tests were conducted along the 〈414〉, 〈111〉, and 〈100〉 directions, and the deformed microstructure was characterized with electron-backscattering diffraction (EBSD). Elongation in 〈414〉 orientation (156 %) was highest as ever recorded in metallic alloy—approximately twice that of conventional TWIP steels. Mechanical behavior in 〈414〉 is characterized with slow work hardening, with upward curvature in the stress–strain curve. EBSD analysis revealed 45 % of ε-martensite and significant γ-twin microstructure components in 〈414〉. In initial stage, deformation was marked by planar slip and a sluggish γ → ε transformation, activating a single ε-martensite variant with a Schmid factor of 0.5. Later stages witnessed crystal rotation towards 〈112〉, generating multiple shear bands and distinct ε variants. Fractures predominantly occurred along the 〈011〉 direction, with the fracture surface exhibiting a ductile nature.</p></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"255 ","pages":"Article 116382"},"PeriodicalIF":5.3,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142243982","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

PVDF fluorination of La4Co3O10: Synthesis, structure and physical properties of La4Co3O10F2 La4Co3O10 的 PVDF 氟化：La4Co3O10F2 的合成、结构和物理性质

IF 5.3 2区材料科学

Scripta Materialia Pub Date : 2024-09-18 DOI: 10.1016/j.scriptamat.2024.116379

Bruno Gonano , Øystein Slagtern Fjellvåg , Gwladys Steciuk , Kenneth Marshall , Helmer Fjellvåg , Martin Valldor

{"title":"PVDF fluorination of La4Co3O10: Synthesis, structure and physical properties of La4Co3O10F2","authors":"Bruno Gonano , Øystein Slagtern Fjellvåg , Gwladys Steciuk , Kenneth Marshall , Helmer Fjellvåg , Martin Valldor","doi":"10.1016/j.scriptamat.2024.116379","DOIUrl":"10.1016/j.scriptamat.2024.116379","url":null,"abstract":"<div><p>Topochemical fluorination of oxides recently gained interest as it opens the way to substantial structural modifications and drastic changes in physical properties. We present a study of La<sub>4</sub>Co<sub>3</sub>O<sub>10</sub>F<sub>2</sub>, synthesized via low-temperature topochemical methods using polyvinylidene difluoride (PVDF). Using synchrotron X-ray powder diffraction, we find the compound to crystallize in a monoclinic cell (<em>A</em>2/<em>a</em>, with <em>a</em> = 5.32969(9) Å, <em>b</em> = 5.37555(1) Å, <em>c</em> = 30.5958(6) Å and <em>β</em> = 90.994(1) °), where the fluoride anions occupy the rock-salt layer's interstitial sites, inducing a tilting of the CoO<sub>6</sub> octahedra. The physical properties of this novel compound are compared with those of the parent compound La<sub>4</sub>Co<sub>3</sub>O<sub>10</sub>, evidencing changes in resistivity and magnetism, highlighting the possibility of tuning magnetic interactions and electronic correlations through PVDF fluorination.</p></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"255 ","pages":"Article 116379"},"PeriodicalIF":5.3,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1359646224004147/pdfft?md5=4a39ad6c25329433eb7c9b3b10408629&pid=1-s2.0-S1359646224004147-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142243983","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A novel porosity prediction framework based on reinforcement learning for process parameter optimization in additive manufacturing 基于强化学习的新型孔隙率预测框架，用于优化增材制造工艺参数

IF 5.3 2区材料科学

Scripta Materialia Pub Date : 2024-09-17 DOI: 10.1016/j.scriptamat.2024.116377

Ahmed M. Faizan Mohamed , Francesco Careri , Raja H.U. Khan , Moataz M. Attallah , Leonardo Stella

{"title":"A novel porosity prediction framework based on reinforcement learning for process parameter optimization in additive manufacturing","authors":"Ahmed M. Faizan Mohamed , Francesco Careri , Raja H.U. Khan , Moataz M. Attallah , Leonardo Stella","doi":"10.1016/j.scriptamat.2024.116377","DOIUrl":"10.1016/j.scriptamat.2024.116377","url":null,"abstract":"<div><p>Machine learning (ML) has generated great interest in additive manufacturing (AM) thanks to its ability to predict complex patterns and behaviors through data. Examples include design optimization, process control, and cost minimization. In this paper, we develop a novel framework based on reinforcement learning (RL) for porosity prediction in metal laser-powder bed fusion (L-PBF). The novelty of this approach is twofold: it is the first approach that integrates RL in L-PBF for porosity prediction where the state space consists of permutations of three parameters (laser power, scan speed, and hatch spacing) for optimal parameter combinations; furthermore, through an appropriately formulated reward function, we embed physics-informed principles based on the Eagar-Tsai thermal model for training. The proposed framework has been experimentally validated on L-PBF high-strength A205 Al alloy. The experimental results demonstrated high fidelity with the predicted optimal parameters, despite few outliers, demonstrating the potential of this approach.</p></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"255 ","pages":"Article 116377"},"PeriodicalIF":5.3,"publicationDate":"2024-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1359646224004123/pdfft?md5=41fb04450a34623595f71e150e5e7b95&pid=1-s2.0-S1359646224004123-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142244016","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0