Scripta Materialia最新文献_第9页

Structural superlubricity and dislocation bending behaviors of NiCoCr medium-entropy alloys with incommensurate contact

IF 5.3 2区材料科学

Scripta Materialia Pub Date : 2025-01-26 DOI: 10.1016/j.scriptamat.2025.116570

Wenyue Li , Jie Zhang , Shigenobu Ogata , Lei Gao , Xiongjun Liu , Zhaoping Lu

{"title":"Structural superlubricity and dislocation bending behaviors of NiCoCr medium-entropy alloys with incommensurate contact","authors":"Wenyue Li , Jie Zhang , Shigenobu Ogata , Lei Gao , Xiongjun Liu , Zhaoping Lu","doi":"10.1016/j.scriptamat.2025.116570","DOIUrl":"10.1016/j.scriptamat.2025.116570","url":null,"abstract":"<div><div>Structural superlubricity has emerged as an effective lubrication approach to reduce friction; however, it remains elusive whether this approach can be extended to multi-principal element alloys. In this study, we comprehensively investigated the frictional behaviors of NiCoCr medium-entropy alloy (MEA) tribo-pairs using molecular dynamics (MD) simulations. A substantial reduction in friction force, by at least one order of magnitude, was observed when the sliding interface twists from 0° to 2.5°. This reduction is primarily attributed to the continuous slipping of dislocations during the friction process. Furthermore, a nearly structural superlubricity state was achieved at the twist angle of 30°, with the friction coefficients of 0.003 and the absence of dislocations, which underscores the effectiveness and universality of forming an incommensurate interface. More importantly, the comparative study between NiCoCr and pure Ni clarified the pivotal role of dislocation bending in increasing the friction force of NiCoCr MEAs at small twist angles.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"259 ","pages":"Article 116570"},"PeriodicalIF":5.3,"publicationDate":"2025-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143171179","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

Effect of chemical composition on mechanical properties and shear band propagation in fully-amorphous ZrCu/ZrCuAl nanolaminates

IF 5.3 2区材料科学

Scripta Materialia Pub Date : 2025-01-24 DOI: 10.1016/j.scriptamat.2025.116571

Cristiano Poltronieri , Andrea Brognara , Chanwon Jung , Fatiha Challali , Philippe Djemia , Gerhard Dehm , James P. Best , Matteo Ghidelli

{"title":"Effect of chemical composition on mechanical properties and shear band propagation in fully-amorphous ZrCu/ZrCuAl nanolaminates","authors":"Cristiano Poltronieri , Andrea Brognara , Chanwon Jung , Fatiha Challali , Philippe Djemia , Gerhard Dehm , James P. Best , Matteo Ghidelli","doi":"10.1016/j.scriptamat.2025.116571","DOIUrl":"10.1016/j.scriptamat.2025.116571","url":null,"abstract":"<div><div>The mechanical behavior and propagation of shear bands (SBs) in fully amorphous ZrCu/ZrCuAl<sub>9</sub> nanolaminates with different nanoscale bilayer period (Λ, from 200 down to 50 nm) was investigated. The combined effect of local chemistry variation and nanointerface density influences the propagation of SBs and the mechanical behavior, reporting nanoindentation hardness values above the rule of mixtures, due to severe shear displacement and strong compositional intermixing along the SB-deformed zone with diffusion of Al into ZrCu layers. Enhanced plastic deformation (> 10 %) is observed for Λ = 100 and 200 nm during micropillar compression, but accompanied by a reduction of the yield strength. In contrast, for Λ = 50 nm, deformation is dominated by catastrophic SB events, while the yield strength returns to that of the monolithic films of ∼2–2.5 GPa. Our results can be utilized in design of nanostructured metallic glasses with tailored mechanical performance.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"259 ","pages":"Article 116571"},"PeriodicalIF":5.3,"publicationDate":"2025-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143171143","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

Suppressing γ′ precipitates coarsening at high volume fractions in a NiCoCr alloy by synergy of Co and Cr

IF 5.3 2区材料科学

Scripta Materialia Pub Date : 2025-01-24 DOI: 10.1016/j.scriptamat.2025.116561

S.Y. Yuan , Y.Q. Yang , B.B. Zhang , K.G. Wang , Y.T. Zhu , X.Y. Li , Y. Zhang

引用次数: 0

Columnar-to-equiaxed transition in laser fusion additive manufacturing

IF 5.3 2区材料科学

Scripta Materialia Pub Date : 2025-01-23 DOI: 10.1016/j.scriptamat.2025.116565

Ankita Roy , Amit Kumar Singh , Amit Arora , B.A. McWilliams , Clara Mock , K.C. Cho , Rajiv S. Mishra

{"title":"Columnar-to-equiaxed transition in laser fusion additive manufacturing","authors":"Ankita Roy , Amit Kumar Singh , Amit Arora , B.A. McWilliams , Clara Mock , K.C. Cho , Rajiv S. Mishra","doi":"10.1016/j.scriptamat.2025.116565","DOIUrl":"10.1016/j.scriptamat.2025.116565","url":null,"abstract":"<div><div>Understanding columnar-to-equiaxed transition (CET) is a critical aspect of microstructural evolution in additively manufactured (AM) alloys, since proportions of columnar and equiaxed morphologies impact strength-ductility synergy. Traditional methodologies for CET prediction, primarily based on power-law relation between growth-rate and laser travel speed independent constitutional undercooling, have limitations in capturing transition domains at higher growth-rate, characteristic to AM. The existing Kurz-Giovanola-Trivedi (KGT) framework was leveraged as the basis for a modified CET model to predict microstructures more accurately for laser-directed energy deposition and powder-bed fusion for the whole laser-velocity domain. Two major alterations were implemented to modify the KGT model: first, undercooling was redefined by incorporating growth-rate and multi-component dependent thermo-kinetic parameters to radial, kinetic, thermal, and constitutional undercooling and second, marginal growth-rate instability domains were introduced. Compared to conventional KGT plot, the proposed model can provide better prediction for any AMed material, thus paving the way for designing location-specific microstructures.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"259 ","pages":"Article 116565"},"PeriodicalIF":5.3,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143171146","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

Accelerating the discovery of low-energy structure configurations: A computational approach that integrates first-principles calculations, Monte Carlo sampling, and Machine Learning

IF 5.3 2区材料科学

Scripta Materialia Pub Date : 2025-01-23 DOI: 10.1016/j.scriptamat.2024.116535

Md Rajib Khan Musa, Yichen Qian, Jie Peng, David Cereceda

{"title":"Accelerating the discovery of low-energy structure configurations: A computational approach that integrates first-principles calculations, Monte Carlo sampling, and Machine Learning","authors":"Md Rajib Khan Musa, Yichen Qian, Jie Peng, David Cereceda","doi":"10.1016/j.scriptamat.2024.116535","DOIUrl":"10.1016/j.scriptamat.2024.116535","url":null,"abstract":"<div><div>Finding Minimum Energy Configurations (MECs) is essential in fields such as physics, chemistry, and materials science, as they represent the most stable states of the systems. In particular, identifying such MECs in multi-component alloys considered candidate PFMs is key because it determines the most stable arrangement of atoms within the alloy, directly influencing its phase stability, structural integrity, and thermo-mechanical properties. However, since the search space grows exponentially with the number of atoms considered, obtaining such MECs using computationally expensive first-principles DFT calculations often results in a cumbersome task. To escape the above compromise between physical fidelity and computational efficiency, we have developed a novel physics-based data-driven approach that combines Monte Carlo sampling, first-principles DFT calculations, and Machine Learning to accelerate the discovery of MECs in multi-component alloys. More specifically, we have leveraged well-established Cluster Expansion (CE) techniques with Local Outlier Factor models to establish strategies that enhance the reliability of the CE method. In this work, we demonstrated the capabilities of the proposed approach for the particular case of a tungsten-based quaternary high-entropy alloy. However, the method is applicable to other types of alloys and enables a wide range of applications.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"259 ","pages":"Article 116535"},"PeriodicalIF":5.3,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143171145","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

Boron-induced unique precipitation behavior at the grain boundary and its effect on the brittle fracture in a Fe-Mn-Al-C-based austenitic lightweight alloy

IF 5.3 2区材料科学

Scripta Materialia Pub Date : 2025-01-22 DOI: 10.1016/j.scriptamat.2025.116574

Dongwon Lee , T.T.T. Trang , Dong-Hyun Kim , Gun-Young Yoon , Seong-Jun Park , Jae Sang Lee , Yoon-Uk Heo

{"title":"Boron-induced unique precipitation behavior at the grain boundary and its effect on the brittle fracture in a Fe-Mn-Al-C-based austenitic lightweight alloy","authors":"Dongwon Lee , T.T.T. Trang , Dong-Hyun Kim , Gun-Young Yoon , Seong-Jun Park , Jae Sang Lee , Yoon-Uk Heo","doi":"10.1016/j.scriptamat.2025.116574","DOIUrl":"10.1016/j.scriptamat.2025.116574","url":null,"abstract":"<div><div>Boron-induced unique precipitation behavior at the grain boundary (GB) and its effect on the brittle fracture were studied in a Fe–Mn–Al–C austenitic lightweight alloy. Adding 50 ppm wt.% of B promoted the GB segregation of boron at the early aging stage at 550 °C. The segregated boron forms the M<sub>23</sub>B<sub>6</sub> at the GBs during further aging treatment. The initial M<sub>23</sub>B<sub>6</sub> evolves the M<sub>23</sub>C<sub>6</sub> by the replacement of boron to carbon during prolonged aging. Meanwhile, the M<sub>23</sub>B<sub>6</sub> promotes the catalytic reaction that sequential formation of α-ferrite and κ-carbide, which results in the accelerated coverage of the GB cellular precipitates. The ductility of the alloy drops faster by cracking of GB α-ferrite and κ-carbide under the applied stress as the cellular precipitate covers the GB. This study provides new insights into the role of boron addition between the GB strengthener and the embrittler in a Fe–Mn–Al–C austenitic lightweight steel.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"259 ","pages":"Article 116574"},"PeriodicalIF":5.3,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143171176","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

Dual gradient structure in Al-Zn-Mg-Cu-Fe alloys: A pathway to balancing strength and formability

IF 5.3 2区材料科学

Scripta Materialia Pub Date : 2025-01-22 DOI: 10.1016/j.scriptamat.2025.116566

Congcong Wang , Mingxing Guo , Xusheng Chi , Linzhong Zhuang , Marek Niewczas

引用次数: 0

Highly efficient strategy of compositional design for metallic glasses driven by melting entropy

IF 5.3 2区材料科学

Scripta Materialia Pub Date : 2025-01-21 DOI: 10.1016/j.scriptamat.2025.116569

Zhengqing Cai , Zhenqiang Song , Yanhui Zhang , Shidong Feng , Zijing Li , Li-Min Wang

{"title":"Highly efficient strategy of compositional design for metallic glasses driven by melting entropy","authors":"Zhengqing Cai , Zhenqiang Song , Yanhui Zhang , Shidong Feng , Zijing Li , Li-Min Wang","doi":"10.1016/j.scriptamat.2025.116569","DOIUrl":"10.1016/j.scriptamat.2025.116569","url":null,"abstract":"<div><div>Since the introduction of metallic glasses, optimizing their compositional design has been a challenging yet crucial subject, necessitating pioneering design strategies to overcome the low efficiency problem produced by traditional trial-and-error modes. Starting from the glass formation thermodynamics, we have found that melting entropy is a more fundamental and comprehensive quantity to express the glass formation and mixing thermodynamics. This letter formulates a new composition design strategy for Zr-Cu-Ag alloys using the melting entropies in the binary Zr-Cu and Zr-Ag alloys. By combining the eutectic Zr<sub>38.2</sub>Cu<sub>61.8</sub> and the intermetallic Zr<sub>2</sub>Ag with low melting-entropies in terms of entropy balance, where individual melting entropy is used to determine the weight coefficient of the level rules, we immediately achieve the composition Zr<sub>47.59</sub>Cu<sub>41.41</sub>Ag<sub>11</sub>, showing far higher glass forming ability than the reported Zr<sub>50</sub>Cu<sub>40</sub>Ag<sub>10</sub> and the Zr<sub>51.22</sub>Cu<sub>26.05</sub>Ag<sub>22.73</sub> designed based on enthalpy of mixing. The extremely high efficiency features the entropy-controlled design strategy for metallic glasses.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"259 ","pages":"Article 116569"},"PeriodicalIF":5.3,"publicationDate":"2025-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143171174","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

Mechanism on lattice thermal conductivity of carbon-vacancy and porous medium entropy ceramics

IF 5.3 2区材料科学

Scripta Materialia Pub Date : 2025-01-21 DOI: 10.1016/j.scriptamat.2025.116568

Xianteng Zhou , Yuanji Xu , Yue Chen , Fuyang Tian

引用次数: 0

Quenching induced depolarization delay and structure evolution in (1-x)Na1/2Bi1/2TiO3-xBiFeO3 ceramics

IF 5.3 2区材料科学

Scripta Materialia Pub Date : 2025-01-21 DOI: 10.1016/j.scriptamat.2025.116573

Pengrong Ren , Wenchao Lin , Zhihong Luo , Mao-Hua Zhang , Laijun Liu , Changbai Long , Lixue Zhang

{"title":"Quenching induced depolarization delay and structure evolution in (1-x)Na1/2Bi1/2TiO3-xBiFeO3 ceramics","authors":"Pengrong Ren , Wenchao Lin , Zhihong Luo , Mao-Hua Zhang , Laijun Liu , Changbai Long , Lixue Zhang","doi":"10.1016/j.scriptamat.2025.116573","DOIUrl":"10.1016/j.scriptamat.2025.116573","url":null,"abstract":"<div><div>As a relaxor, Na<sub>1/2</sub>Bi<sub>1/2</sub>TiO<sub>3</sub> (NBT) presents limitations in high temperature application because of thermally induced depolarization. Stabilizing the polar ferroelectric phase is key for deferring the temperature dependent depolarization. In this work, a transition from relaxor to ferroelectric is induced by incorporating BiFeO<sub>3</sub> (BFO) in NBT. The transition is characterized by temperature dependent dielectric and piezoelectric properties, and supported by mechanical stress-strain tests and <em>in-situ</em> electric field dependent synchrotron XRD analysis. To improve the depolarization temperature (<em>T</em><sub>d</sub>) further, 40NBT-60BFO (60BFO) is subject to a quenching treatment. <em>T</em><sub>d</sub> of 60BFO increases from 300 °C to 520 °C upon quenching. The significant increase in <em>T</em><sub>d</sub> is explained by analyzing the average and local structure changes. It is found that the ordered Bi and Na ions and the intensified Bi-O bonding upon quenching contribute to the increase in <em>T</em><sub>d</sub>. This work clarifies the mechanism of quenching induced enhancement <em>T</em><sub>d</sub> in NBT-BFO ceramics.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"259 ","pages":"Article 116573"},"PeriodicalIF":5.3,"publicationDate":"2025-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143171175","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