Scripta Materialia最新文献

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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
{"title":"Mechanism on lattice thermal conductivity of carbon-vacancy and porous medium entropy ceramics","authors":"Xianteng Zhou ,&nbsp;Yuanji Xu ,&nbsp;Yue Chen ,&nbsp;Fuyang Tian","doi":"10.1016/j.scriptamat.2025.116568","DOIUrl":"10.1016/j.scriptamat.2025.116568","url":null,"abstract":"<div><div>High-entropy ceramics with vacancy and pores show abnormal lattice thermal conductivity with temperature. In this work, we conduct the machine learning interatomic potentials in combination with the classical molecular dynamics to study the mechanism of lattice thermal conductivity in (NbTaZr)C medium entropy ceramics with different carbon vacancies and porous defects. The trained neuroevolution potentials excellently reproduce the ab initio calculations. Results indicate that both vacancy and pore can enhance the phonon scattering at low- and middle-frequency ranges, reduce the phonon lifetime, shift from acoustic to defect scattering, and make the phonon vibration modes localized. Further, they decrease the temperature dependence of lattice thermal conductivity. We find that propagation-type phonons dominate the thermal conductivity in the perfect structure, whereas diffusion-type phonons become predominant in carbon-vacancy and porous (NbTaZr)C.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"259 ","pages":"Article 116568"},"PeriodicalIF":5.3,"publicationDate":"2025-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143171172","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
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 ,&nbsp;Wenchao Lin ,&nbsp;Zhihong Luo ,&nbsp;Mao-Hua Zhang ,&nbsp;Laijun Liu ,&nbsp;Changbai Long ,&nbsp;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
Effect of WC/WC grain boundary misorientation angle on the local hardness in WC–Co cemented carbides
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-01-20 DOI: 10.1016/j.scriptamat.2024.116525
Hansheng Chen , Haoruo Zhou , Xiangyuan Cui , Christoph Czettl , Thomas Weirather , Julia Pachlhofer , Pauline Mueller , Tamara Teppernegg , Ralph Useldinger , Sophie Primig , Simon P. Ringer
{"title":"Effect of WC/WC grain boundary misorientation angle on the local hardness in WC–Co cemented carbides","authors":"Hansheng Chen ,&nbsp;Haoruo Zhou ,&nbsp;Xiangyuan Cui ,&nbsp;Christoph Czettl ,&nbsp;Thomas Weirather ,&nbsp;Julia Pachlhofer ,&nbsp;Pauline Mueller ,&nbsp;Tamara Teppernegg ,&nbsp;Ralph Useldinger ,&nbsp;Sophie Primig ,&nbsp;Simon P. Ringer","doi":"10.1016/j.scriptamat.2024.116525","DOIUrl":"10.1016/j.scriptamat.2024.116525","url":null,"abstract":"<div><div>Grain boundaries (GBs) generally exhibit complex structural and compositional features that significantly affect material hardness. Here, we establish a methodology to correlate the local hardness contributions of the GBs with their frequency distribution and their structural and compositional characteristics, using a submicron WC–Co cemented carbide as a model. An exceptional local hardness of (14.68 ± 0.12) GPa is observed from a 90° WC<sub>{0001}</sub>/WC<sub>{10</sub><span><math><msub><mrow></mrow><mover><mn>1</mn><mo>¯</mo></mover></msub></math></span><sub>0}</sub> GB, unlike the low contributions from other WC/WC GBs. This is linked to pronounced Cr and Co segregation at this GB, due to Cr affinity at the WC<sub>{0001}</sub>/Co and WC<sub>{10</sub><span><math><msub><mrow></mrow><mover><mn>1</mn><mo>¯</mo></mover></msub></math></span><sub>0}</sub>/Co phase boundaries and Co infiltration during liquid-phase sintering. Density functional theory results indicate that a large lattice mismatch, strong W–C covalent bonding, and Cr and Co accumulation increase the elastic strain field, resulting in strong atomic distortion near the interface and contributing to exceptional strengthening. Our findings highlight the critical influence of GB complexities on material hardness.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"259 ","pages":"Article 116525"},"PeriodicalIF":5.3,"publicationDate":"2025-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143171171","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
Nanoindentation reveals universal scaling of pop-in plasticity in metallic glasses
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-01-20 DOI: 10.1016/j.scriptamat.2025.116549
Yu Chen , Zhen-Xing Bo , Hong Bo Zhou , Bao-An Sun , Yong Hao Sun , Robert Maaß , Wei Hua Wang
{"title":"Nanoindentation reveals universal scaling of pop-in plasticity in metallic glasses","authors":"Yu Chen ,&nbsp;Zhen-Xing Bo ,&nbsp;Hong Bo Zhou ,&nbsp;Bao-An Sun ,&nbsp;Yong Hao Sun ,&nbsp;Robert Maaß ,&nbsp;Wei Hua Wang","doi":"10.1016/j.scriptamat.2025.116549","DOIUrl":"10.1016/j.scriptamat.2025.116549","url":null,"abstract":"<div><div>Plastic flow of metallic glasses proceeds intermittently in the inhomogeneous deformation regime. Mediated via shear bands, quasi-static straining gives rise to plastic instabilities that are measured as abrupt displacement bursts or pop-ins. The latter is a well-known feature in nanoindentation, where its first occurrence probes the critical and site-specific stress of nano-scale incipient shear deformation. Here we show that the statistical distribution of the stress and magnitude of the first shear instability, as well as its successive higher-order events, universally follow Weibull statistics across ten different metallic glasses. This indicates a fundamentally identical plastic process across glass-forming alloys and progressing deformation that is governed by a weakest-link phenomenon. This finding stands in strong contrast to crystalline alloys, where both defect nucleation and defect-structure evolution control shear instabilities and depend on the deformation history.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"259 ","pages":"Article 116549"},"PeriodicalIF":5.3,"publicationDate":"2025-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143171170","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
Atomic disorder in AlFeNiV multi-component alloys and its effect on the magnetic properties
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-01-18 DOI: 10.1016/j.scriptamat.2025.116567
Chuangshi Feng , Hongquan Song , Shuai Nan , Zhou Guan , Meng Xiao , Hengyong Yang , Yu Tang , Kai Zeng , Xin Yuan , Fuxiang Zhang
{"title":"Atomic disorder in AlFeNiV multi-component alloys and its effect on the magnetic properties","authors":"Chuangshi Feng ,&nbsp;Hongquan Song ,&nbsp;Shuai Nan ,&nbsp;Zhou Guan ,&nbsp;Meng Xiao ,&nbsp;Hengyong Yang ,&nbsp;Yu Tang ,&nbsp;Kai Zeng ,&nbsp;Xin Yuan ,&nbsp;Fuxiang Zhang","doi":"10.1016/j.scriptamat.2025.116567","DOIUrl":"10.1016/j.scriptamat.2025.116567","url":null,"abstract":"<div><div>Order-disorder transition presents a pivotal and intricate challenge in materials science. In this work, AlFeNiV multi-component alloys were prepared with distinct heat treatment processes (named as-cast, spin, and anneal) to investigate the order-disorder transitions, local lattice distortion and their effect on the magnetic characteristics. Phase structure analysis demonstrates that the AlFeNiV alloy with a Heusler structure undergoes a distinctive phase transition from L2<sub>1</sub> to B2 structure at around 1000 °C. Local lattice structure analysis reveals that all the three samples exhibit a tensile stress state, with the annealed sample exhibiting a lower local lattice distortion. Quantitative atomic occupancy analysis indicates that the spin sample has a lower degree of ordering and exhibits comparatively stronger magnetic properties, which are attributed to the formation of antisite defects between the <em>4b</em> and <em>8c</em> sites. This work provides a scientific understanding for the design of advanced alloys with predicted properties by using defect engineering.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"259 ","pages":"Article 116567"},"PeriodicalIF":5.3,"publicationDate":"2025-01-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143171169","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
Unusual deformation behavior and the consequent emergence of Type C serrations in Fe-1.6Mn-2Ni-1.4Si-0.4C steels
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-01-17 DOI: 10.1016/j.scriptamat.2025.116563
Myeong-heom Park , Sukyoung Hwang , Yoshitaka Okitsu , Nobuhiro Tsuji
{"title":"Unusual deformation behavior and the consequent emergence of Type C serrations in Fe-1.6Mn-2Ni-1.4Si-0.4C steels","authors":"Myeong-heom Park ,&nbsp;Sukyoung Hwang ,&nbsp;Yoshitaka Okitsu ,&nbsp;Nobuhiro Tsuji","doi":"10.1016/j.scriptamat.2025.116563","DOIUrl":"10.1016/j.scriptamat.2025.116563","url":null,"abstract":"<div><div>Through careful strain analysis using the digital image correlation (DIC) technique, the present study reveals an unusual local deformation behavior occurring in the shoulder regions of a tensile specimen, resulting in characteristic Type C serrations in a low-alloy transformation-induced plasticity (TRIP) steel. The Fe-1.6Mn-2Ni-1.4Si-0.4C (wt.%) alloy demonstrated an exceptional balance of strength-ductility with an ultimate tensile strength of 1,515 MPa and a total elongation of 0.235, primarily due to deformation-induced martensitic transformation (DIMT). Notably, the current alloy exhibited unique deformation with intense and periodic strain localization in the shoulder regions. This sudden deformation in the shoulder regions temporarily halted deformation in the gage regions, leading to stress drop (Type C serrations). The present study establishes a correlation linking DIMT, local deformation behavior, and the emergence of Type C serrations, supported by systematic microstructural observation and DIC strain rate analysis.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"259 ","pages":"Article 116563"},"PeriodicalIF":5.3,"publicationDate":"2025-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143170198","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
Evading crystallization in bulk metallic glass produced under ultra-high flow velocity
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-01-17 DOI: 10.1016/j.scriptamat.2025.116564
Le-hua Liu , Jingsi Chen , Liuqing Chen , Jiting Zhai , Kuan Gao , Xuguang Zhu , Weiwen Zhang , Chao Yang
{"title":"Evading crystallization in bulk metallic glass produced under ultra-high flow velocity","authors":"Le-hua Liu ,&nbsp;Jingsi Chen ,&nbsp;Liuqing Chen ,&nbsp;Jiting Zhai ,&nbsp;Kuan Gao ,&nbsp;Xuguang Zhu ,&nbsp;Weiwen Zhang ,&nbsp;Chao Yang","doi":"10.1016/j.scriptamat.2025.116564","DOIUrl":"10.1016/j.scriptamat.2025.116564","url":null,"abstract":"<div><div>High flow velocity has been shown to accelerate crystallization in various supercooled liquids, including metallic glass, although the underlying mechanisms remain unclear. This study explores the solidification behavior of the Zr<sub>58.5</sub>Cu<sub>15.6</sub>Ni<sub>12.8</sub>Al<sub>10.3</sub>Nb<sub>2.8</sub> (Vit 106a) metallic glass under varying casting flow velocities. Remarkably, our findings reveal that the primary cause of flow-induced crystallization (FIC) is high strain rates, generated by mold collisions, rather than the flow velocity itself. FIC can be evaded by reducing the strain rate without a decrease in the flow velocity of the melt during the filling process. These findings not only clarify the origins of FIC in glass-forming liquids but also provide a new approach to addressing the conflict between the demand for ultra-high flow velocity in casting complex, ultra-thin metallic glasses and the tendency for FIC, offering valuable insights for the design and processing of metallic glass components for large-scale applications.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"259 ","pages":"Article 116564"},"PeriodicalIF":5.3,"publicationDate":"2025-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143171173","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 thermodynamic approach to modeling multicomponent FeTi-based alloys for hydrogen storage
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-01-16 DOI: 10.1016/j.scriptamat.2024.116516
Ebert Alvares , Andrew J.E. Rowberg , Kai Sellschopp , Brandon C. Wood , Thomas Klassen , Paul Jerabek , Claudio Pistidda
{"title":"A thermodynamic approach to modeling multicomponent FeTi-based alloys for hydrogen storage","authors":"Ebert Alvares ,&nbsp;Andrew J.E. Rowberg ,&nbsp;Kai Sellschopp ,&nbsp;Brandon C. Wood ,&nbsp;Thomas Klassen ,&nbsp;Paul Jerabek ,&nbsp;Claudio Pistidda","doi":"10.1016/j.scriptamat.2024.116516","DOIUrl":"10.1016/j.scriptamat.2024.116516","url":null,"abstract":"<div><div>Modeling the impact of alloying on the hydrogenation properties of intermetallic compounds is a vital yet challenging task for hydrogen storage materials design: not only do these processes occur under thermodynamic para-equilibrium conditions, but for bcc-derived compounds, the task is further complicated through varying composition-dependent ordering transitions. Here, we tackle these challenges by providing a multicomponent thermodynamic modeling framework for FeTi, a representative bcc-derived material class, which is one of the most relevant room-temperature interstitial metal hydrides. We aim specifically to describe para-equilibrium in FeTi-based multicomponent hydrides while ensuring compatibility with previously evaluated metallic systems. DFT point-defect calculations provide a physics-informed foundation to identify substitutional site preferences. Not only does our approach give detailed guidance for the selection of model parameters to evaluate phase equilibria for a broad range of FeTi-based multicomponent systems with high fidelity, but it also can be easily adopted to other interstitial hydrogen storage compounds.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"259 ","pages":"Article 116516"},"PeriodicalIF":5.3,"publicationDate":"2025-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143170199","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
Origin of premature fracture and enhancement of superelasticity in laser additively manufactured Ni-rich NiTi metamaterials
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-01-16 DOI: 10.1016/j.scriptamat.2025.116558
Zhaorui Yan , Jia-Ning Zhu , Yi-Chieh Yang , Hans Brouwer , Ton Riemslag , Joerg R. Jinschek , Marcel Hermans , Jovana Jovanova , Vera Popovich
{"title":"Origin of premature fracture and enhancement of superelasticity in laser additively manufactured Ni-rich NiTi metamaterials","authors":"Zhaorui Yan ,&nbsp;Jia-Ning Zhu ,&nbsp;Yi-Chieh Yang ,&nbsp;Hans Brouwer ,&nbsp;Ton Riemslag ,&nbsp;Joerg R. Jinschek ,&nbsp;Marcel Hermans ,&nbsp;Jovana Jovanova ,&nbsp;Vera Popovich","doi":"10.1016/j.scriptamat.2025.116558","DOIUrl":"10.1016/j.scriptamat.2025.116558","url":null,"abstract":"<div><div>Superelastic metamaterials have attracted significant attention recently, but achieving such functionality remains challenging due to partial superelasticity and premature fracture in additively manufactured components. To address these issues, this study investigates the premature fracture in Ni-rich NiTi metamaterials fabricated by laser powder bed fusion. A comparative analysis of two structures (Gyroid network and Diamond shell) reveals that the structural stability of bending- and stretching-dominated structures is reversed compared to typical elastic-plastic response, due to the tension-compression asymmetry of base NiTi. The premature fracture and partial superelasticity of these as-fabricated samples are attributed to low deformation ability for accommodating tensile stress. Based on these findings, a heat treatment introducing Ni<sub>4</sub>Ti<sub>3</sub> precipitates was employed, successfully achieving macroscopic superelasticity in the NiTi metamaterials, with consistency between model prediction and experiments.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"259 ","pages":"Article 116558"},"PeriodicalIF":5.3,"publicationDate":"2025-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143170005","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
Quantifying the local compositional fluctuation and Shannon entropy inherent in multi-principal element alloys
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-01-16 DOI: 10.1016/j.scriptamat.2025.116559
Miaoran Zhang , Bozhao Zhang , Jun Ding , Evan Ma
{"title":"Quantifying the local compositional fluctuation and Shannon entropy inherent in multi-principal element alloys","authors":"Miaoran Zhang ,&nbsp;Bozhao Zhang ,&nbsp;Jun Ding ,&nbsp;Evan Ma","doi":"10.1016/j.scriptamat.2025.116559","DOIUrl":"10.1016/j.scriptamat.2025.116559","url":null,"abstract":"<div><div>Multi-principal element alloys (MPEAs), also known as high-entropy alloys, are highly concentrated solid solutions more complex than the initially assumed ideal solid solutions. Using a combination of theoretical predictions and numerical simulations, this study quantitatively evaluates the degree of local compositional fluctuation in MPEAs and maps out how it depends on the number of principal elements and the constituent atomic concentrations. Shannon entropy is introduced as a metric to assess the compositional complexity, which is found to be maximized at the equiatomic composition, emphasizing the impact of balanced elemental proportions. We advocate the Shannon entropy, being more directly related to MPEA properties, as an indicator better than the configurational entropy to carry/capture the “high entropy” concept than configurational entropy.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"259 ","pages":"Article 116559"},"PeriodicalIF":5.3,"publicationDate":"2025-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143170197","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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