Acta Materialia最新文献

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A comprehensive examination of the formability-natural ageing stability time paradox in Al-Mg-Si alloys and developing mitigating pathways
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-03-10 DOI: 10.1016/j.actamat.2025.120927
Jyoti Ranjan Sahoo, Purnima Bharti, Aparna Tripathi, Sumeet Mishra
{"title":"A comprehensive examination of the formability-natural ageing stability time paradox in Al-Mg-Si alloys and developing mitigating pathways","authors":"Jyoti Ranjan Sahoo,&nbsp;Purnima Bharti,&nbsp;Aparna Tripathi,&nbsp;Sumeet Mishra","doi":"10.1016/j.actamat.2025.120927","DOIUrl":"10.1016/j.actamat.2025.120927","url":null,"abstract":"<div><div>The present work scrutinizes the trade-off between natural ageing stability time and formability achieved via preageing and two-step quenching in Al-Mg-Si alloys. Experimental analysis via resistivity and yield strength measurements and differential scanning calorimetry revealed that a prolonged isothermal hold period of 4 h at 100 °C is required to achieve natural aging stability via preageing. In contrast, an isothermal hold period of 1 h at 100 °C is sufficient to impart natural ageing stability via two-step quenching. Vacancy simulations revealed that the free vacancy concentration decreases during the isothermal hold period and equates the free vacancy concentration at 100 °C after an isothermal hold period of 4 h and 1 h for the preaging and two-step quenching route, respectively. The decrease in free vacancy concentration during the optimized isothermal hold periods causes reduced mobility of the solute atoms and suppression of natural ageing during the subsequent room temperature storage. Formability analysis revealed that on all forming indicators such as work hardening ability, strain rate sensitivity and fracture strains, the preaged sample outperforms the two-step quenched sample. An obstacle characteristics-based approach revealed that the higher dynamic recovery rate in the two-step quenched sample due to a relatively coarse precipitate structure is responsible for the impairment of the forming potential of the two-step quenched sample compared to the preaged sample. Based on vacancy and work-hardening simulations, a suitable thermomechanical processing route is proposed to produce a fine-grained microstructure, which reduces the natural aging stability time by 75 % without compromising the formability.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"289 ","pages":"Article 120927"},"PeriodicalIF":8.3,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143682976","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Quantum mechanical moduli field
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-03-10 DOI: 10.1016/j.actamat.2025.120922
G. Gengor , O.K. Celebi , A.S.K. Mohammed , H. Sehitoglu
{"title":"Quantum mechanical moduli field","authors":"G. Gengor ,&nbsp;O.K. Celebi ,&nbsp;A.S.K. Mohammed ,&nbsp;H. Sehitoglu","doi":"10.1016/j.actamat.2025.120922","DOIUrl":"10.1016/j.actamat.2025.120922","url":null,"abstract":"<div><div>To understand the role of defects in materials science, ranging from mechanical to physical properties, determining the spatial variation of elastic moduli is of paramount importance. Using electron wavefunctions, we derive novel expressions for local elastic moduli in the lattice scale, Quantum Mechanical Moduli Field (QMMF). The QMMF provides insight into the interplay between elastic properties and defects. To derive QMMF, we differentiate the local stress density against strain. The QMMF has contributions from kinetic, exchange-correlation, and electrostatic interactions. We provide novel expressions and numerical schemes to calculate QMMF. In atomistic calculations, the atoms are modeled as point-like entities, which only allows the macroscopic elastic properties to be calculated. Since the QMMF represents the local elastic properties, it provides a significant advancement from previous studies, especially in the presence of multi-elements. Four example applications of QMMF are provided. Firstly, the macroscopic elastic moduli of Ni and B2NiTi are calculated using QMMF in agreement with experiments. Secondly, a H interstitial in Ni is considered. The effect of H concentration on H softening is evaluated. Thirdly, the effect of dilatation on moduli is calculated, revealing the non-linearity of moduli. Finally, the local elastic properties around W solute in the Ni matrix are calculated. The W solute increases the macroscopic moduli of Ni in a non-linear fashion. It is found that the macroscopic hardening is due to the hardening of the Ni matrix rather than W solutes forming hard-spots. The QMMF uses electron densities to unveil such surprising effects that are otherwise unobservable.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"289 ","pages":"Article 120922"},"PeriodicalIF":8.3,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143618491","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
The role of layer strength ratio in enhancing strain hardening and achieving strength-ductility synergy in heterostructured materials
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-03-10 DOI: 10.1016/j.actamat.2025.120928
Xiaochong Lu , Yilun Xu , Hao Ran , Guohua Fan , Si Gao , Nobuhiro Tsuji , Chongxiang Huang , Huajian Gao , Yong-Wei Zhang
{"title":"The role of layer strength ratio in enhancing strain hardening and achieving strength-ductility synergy in heterostructured materials","authors":"Xiaochong Lu ,&nbsp;Yilun Xu ,&nbsp;Hao Ran ,&nbsp;Guohua Fan ,&nbsp;Si Gao ,&nbsp;Nobuhiro Tsuji ,&nbsp;Chongxiang Huang ,&nbsp;Huajian Gao ,&nbsp;Yong-Wei Zhang","doi":"10.1016/j.actamat.2025.120928","DOIUrl":"10.1016/j.actamat.2025.120928","url":null,"abstract":"<div><div>Heterostructured materials, characterized by distinct zones with varying mechanical properties, offer a promising strategy to overcome the traditional strength-ductility trade-off in metallic materials. In this study, we focus on heterostructured materials composed of hard and soft metallic layers, investigating the effect of the layer strength ratio (<em>R</em>) on strain hardening in these materials. Using a combination of experimental techniques, crystal plasticity finite element (CPFE) simulations, and discrete dislocation plasticity (DDP) simulations, we explore how <em>R</em> influences the accumulation of geometrically necessary dislocations (GNDs) and the associated stress field at the hetero-zone boundary (HB). Our findings reveal that deformation inhomogeneity between the soft and hard zones generates significant strain gradients near the HBs, leading to enhanced strain hardening through intensified dislocation pile-up and long-range internal stress. Increasing the layer strength ratio <em>R</em> amplifies the deformation inhomogeneity near the HBs, resulting in substantial strain hardening. Additionally, HB density is shown to be another tunable parameter that, when optimized, can significantly enhance strain hardening. This work establishes a quantitative framework for understanding the relationship between layer strength ratio <em>R</em> and strain hardening, offering valuable insights for optimizing the strength-ductility synergy in heterostructured materials.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"289 ","pages":"Article 120928"},"PeriodicalIF":8.3,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143643998","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Chemically ordered dislocation defect phases as a new strengthening pathway in Ni–Al alloys
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-03-09 DOI: 10.1016/j.actamat.2025.120887
H.C. Howard , W.S. Cunningham , A. Genc , B.E. Rhodes , B. Merle , T.J. Rupert , D.S. Gianola
{"title":"Chemically ordered dislocation defect phases as a new strengthening pathway in Ni–Al alloys","authors":"H.C. Howard ,&nbsp;W.S. Cunningham ,&nbsp;A. Genc ,&nbsp;B.E. Rhodes ,&nbsp;B. Merle ,&nbsp;T.J. Rupert ,&nbsp;D.S. Gianola","doi":"10.1016/j.actamat.2025.120887","DOIUrl":"10.1016/j.actamat.2025.120887","url":null,"abstract":"<div><div>There is emerging recognition that crystalline defects such as grain boundaries and dislocations can host structural and chemical environments of their own, which reside in local equilibrium with the bulk material. Targeting these defect phases as objects for materials design would promise new avenues to maximize property gains. Here, we provide experimental proof of a dislocation-templated defect phase using a processing strategy designed to engender defect phase transitions in a nickel-based alloy and demonstrate dramatic effects on strengthening. Following heat treatments designed to encourage solute segregation to dislocations, regions with introduced dislocation populations show evidence of nanoscale ordered domains with a <em>L</em>1<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> structure, whereas dislocation-free regions remain as a solid solution. Site-specific spherical nanoindentation in regions hosting dislocations and their associated ordered nanodomains exhibit a 40% increase in mean pop-in load compared to similar regions prior to the segregation heat treatment. Strength estimates based on random solute atmospheres around dislocations are not sufficient to predict our measured strengths. Our mechanical measurements, in tandem with detailed electron microscopy and diffraction of the ordered domains, as well as characterization of dislocations in the vicinity of the nanodomains, establish the defect phase framework via direct observations of chemical and structural ordering near dislocations and its potential for offering favorable properties not achievable through conventional materials design.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"289 ","pages":"Article 120887"},"PeriodicalIF":8.3,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143576325","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Dual-gradient structure enhances wear resistance of aero-engine bearing steel by suppressing strain localization 双梯度结构通过抑制应变局部化提高航空发动机轴承钢的耐磨性
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-03-09 DOI: 10.1016/j.actamat.2025.120919
Qianwei Guo , Hanghang Liu , Chen Sun , Yanfei Cao , Xingyu Lu , Yinuo Du , Xinyu Ru , Haitao Xu , Kaiyan Song , Paixian Fu , Dianzhong Li
{"title":"Dual-gradient structure enhances wear resistance of aero-engine bearing steel by suppressing strain localization","authors":"Qianwei Guo ,&nbsp;Hanghang Liu ,&nbsp;Chen Sun ,&nbsp;Yanfei Cao ,&nbsp;Xingyu Lu ,&nbsp;Yinuo Du ,&nbsp;Xinyu Ru ,&nbsp;Haitao Xu ,&nbsp;Kaiyan Song ,&nbsp;Paixian Fu ,&nbsp;Dianzhong Li","doi":"10.1016/j.actamat.2025.120919","DOIUrl":"10.1016/j.actamat.2025.120919","url":null,"abstract":"<div><div>Gradient structures can significantly enhance the wear resistance of steels through the synergistic effects of heterogeneity. However, traditional surface heterostructures typically produce a single gradient. Here, we propose a novel strategy to implement a dual-gradient structure of composition and nanocrystalline, thereby enhancing the wear resistance of bearing steel by suppressing strain localization. The compositional gradient prefabricated by carburization facilitates the formation of gradient-distributed carbides and martensite, while the nanocrystalline gradient is developed further via ultrasonic shot peening. Strong dislocation movement promotes the refinement and decomposition of large-sized irregular carbides in the surface layer, significantly mitigating the initiation and propagation of cracks induced by stress localization. Additionally, the numerous nanograins in the surface layer not only contribute to the formation of a more stable and dense oxide film under oil lubrication but also create a more dispersed region of stress localization by co-sharing cyclic shear stress, thereby alleviating sliding-induced microstructural instability. Furthermore, the single compositional gradient structure tends to surface strain localization during loading, attributable to the relatively gradual transition between the hard and soft layers, whereas the dual-gradient structure facilitates surface strain delocalization across a wider stress range due to the presence of numerous nanograins creating a more pronounced strain gradient. Compared to the single compositional gradient, the unique dual-gradient structure reduces the wear rate by 52.5 % and 53.9 % at low and high-frequency sliding, respectively. This work proposes a promising design for the fabrication of dual-gradient structures to enhance the wear resistance in high-strength steels.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"289 ","pages":"Article 120919"},"PeriodicalIF":8.3,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143576234","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Modelling the Bauschinger effect in copper during preliminary load cycles 初步负载循环期间铜的鲍辛格效应建模
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-03-08 DOI: 10.1016/j.actamat.2025.120886
Alvaro Martinez-Pechero , Eralp Demir , Chris Hardie , Yevhen Zayachuk , Anna Widdowson , Edmund Tarleton
{"title":"Modelling the Bauschinger effect in copper during preliminary load cycles","authors":"Alvaro Martinez-Pechero ,&nbsp;Eralp Demir ,&nbsp;Chris Hardie ,&nbsp;Yevhen Zayachuk ,&nbsp;Anna Widdowson ,&nbsp;Edmund Tarleton","doi":"10.1016/j.actamat.2025.120886","DOIUrl":"10.1016/j.actamat.2025.120886","url":null,"abstract":"<div><div>This research utilizes established cyclic deformation models to simulate the Bauschinger effect observed in copper monocrystal cantilever experiments during the initial bending and straightening phases. Crystal plasticity finite element simulations employing <em>Armstrong-Frederick</em>, <em>Orowan-Sleeswyk</em>, and various other backstress models have drawbacks to reproduce the experimental force–displacement curves accurately since they are not able to reproduce the isotropic hardening measured during cantilever straightening. However, the <em>Armstrong-Frederick</em> model combined with <em>Voce-type hardening</em> and a newly proposed <em>modified Orowan-Sleeswyk</em> model has proven to be effective. In this work, we propose a <em>modified Orowan-Sleeswyk</em> model, based on recent studies, where not all the geometrically necessary dislocations (GND) recombine during the straightening phase, but instead reorient to achieve a net zero-strain gradient with ongoing hardening during load reversal.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"289 ","pages":"Article 120886"},"PeriodicalIF":8.3,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143576235","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Guinier-Preston zone hardening during vacuum annealing of (Ti1-xAlx)0.92W0.08N (0.07 ≤ x ≤ 0.79) thin films
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-03-08 DOI: 10.1016/j.actamat.2025.120916
Vladyslav Rogoz , Bartosz Wicher , Xiao Li , Justinas Palisaitis , Daniel Primetzhofer , Lars Hultman , Grzegorz Greczynski
{"title":"Guinier-Preston zone hardening during vacuum annealing of (Ti1-xAlx)0.92W0.08N (0.07 ≤ x ≤ 0.79) thin films","authors":"Vladyslav Rogoz ,&nbsp;Bartosz Wicher ,&nbsp;Xiao Li ,&nbsp;Justinas Palisaitis ,&nbsp;Daniel Primetzhofer ,&nbsp;Lars Hultman ,&nbsp;Grzegorz Greczynski","doi":"10.1016/j.actamat.2025.120916","DOIUrl":"10.1016/j.actamat.2025.120916","url":null,"abstract":"<div><div>We present a systematic study on the formation of Guinier-Preston (GP) zones and corresponding age hardening in metastable cubic (Ti<sub>1-x</sub>Al<sub>x</sub>)<sub>0.92</sub>W<sub>0.08</sub>N thin films at annealing temperatures relevant to cutting tool applications. The Al content, which determines the compound's phase stability, varies widely from x = 0.07 to 0.79. The density of GP zones forming after 2 h long annealing in vacuum at 950 °C is assessed by cross-sectional transmission electron microscopy. Concurrent to the spinodal decomposition of c-(Ti,Al,W)N into c-Ti(W)N and c-Al(W)N, tungsten forms atomic-plane-thick W disks on (111) planes of the cubic matrix. The density of GP zones is ∼ 6.3·10<sup>11</sup> – 1.2·10<sup>12</sup> cm<sup>−2</sup> in the 0.07 ≤ x ≤ 0.58 range and decreases to 1.8·10<sup>11</sup> cm<sup>−2</sup> with х = 0.65 concomitant with precipitation of w-AlN grains and bcc-W nanocrystallites. GP zone formation and age hardening is observed for all films with 0.07 ≤ x ≤ 0.58 with 2 to 14 % increase in hardness, starting from high levels between 23.5 and 32.9 GPa. Elevated hardness is, thus, retained over the entire temperature range: 520 to 950 °C. Finally, precipitation of bcc-W at х ≥ 0.65 during annealing above 950 °C is observed as a means to relax misfit strain between the c-Ti(W)N and w-Al(W)N components.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"289 ","pages":"Article 120916"},"PeriodicalIF":8.3,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143576239","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Tailoring mechanical properties of a multi-principal element alloy through a multi-length-scale approach
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-03-08 DOI: 10.1016/j.actamat.2025.120918
Chang-Yu Hung , Milan Heczko , Chenyang Li , Dallin J. Barton , Paul D. Jablonski , Wei Chen , Arun Devaraj , Michael J. Mills , Martin Detrois , Stoichko Antonov
{"title":"Tailoring mechanical properties of a multi-principal element alloy through a multi-length-scale approach","authors":"Chang-Yu Hung ,&nbsp;Milan Heczko ,&nbsp;Chenyang Li ,&nbsp;Dallin J. Barton ,&nbsp;Paul D. Jablonski ,&nbsp;Wei Chen ,&nbsp;Arun Devaraj ,&nbsp;Michael J. Mills ,&nbsp;Martin Detrois ,&nbsp;Stoichko Antonov","doi":"10.1016/j.actamat.2025.120918","DOIUrl":"10.1016/j.actamat.2025.120918","url":null,"abstract":"<div><div>In this study, a multi-length-scale strengthening approach was used to tailor the microstructure and the mechanical properties of a NiCoCr-based multi-principal element alloy (MPEA). Grain size refinement, severe lattice distortion, and stacking fault energy (SFE) reduction with Mo addition (up to 10 at.%) enhance yield strength by 85 % with only 10 % reduction in ductility in as-annealed MPEAs. A pronounced increase in the strain hardening rate was observed with the addition of Mo, which is ascribed to the promotion of complex stacking fault (SF) interaction and intersection, accompanied by Lomer-Cottrell (L-C) and Hirth locks inhibiting dislocation motion and substantial increase in the accumulation of back stress. To push the limit of the yield strength further, the Suzuki segregation phenomenon was manipulated by a careful control of SF density by pre-straining and a subsequent 500 °C heat treatment. The stress-strain responses of the pre-strained and heat treated MPEAs showed an obvious SF density and Mo concentration dependence. The yield strength of the pre-strained Mo-added MPEAs with subsequent heat treatment was increased up to true stress of 2.3 GPa with a corresponding fracture elongation of 12 % true strain. SFs formed during pre-straining served as Cr segregation sites during subsequent heat treatment, which substantially varies the local SFE within the SF, presenting a roughened landscape and frustrating the dislocation dynamics. Beyond conventional strengthening strategies, incorporation of refractory elements along with the manipulation of Suzuki segregation process provide a promising route in tailoring desired mechanical properties of MPEAs.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"289 ","pages":"Article 120918"},"PeriodicalIF":8.3,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143576330","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
An electrochemical-mechanical synergistic regulation by constructing a double-layer fully active silicon-based alloy anode in sulfide all-solid-state batteries 通过构建硫化物全固态电池中的双层全活性硅基合金阳极实现电化学-机械协同调节
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-03-08 DOI: 10.1016/j.actamat.2025.120915
Yuting Huang , Shenghao Jing , Huaqing Shen , Sijia Li , YuXin Shen , Yuanyuan Lin , Ying Zhang , Zongliang Zhang , Yang Liu , Yongle Chen , Fangyang Liu , Yang Lu
{"title":"An electrochemical-mechanical synergistic regulation by constructing a double-layer fully active silicon-based alloy anode in sulfide all-solid-state batteries","authors":"Yuting Huang ,&nbsp;Shenghao Jing ,&nbsp;Huaqing Shen ,&nbsp;Sijia Li ,&nbsp;YuXin Shen ,&nbsp;Yuanyuan Lin ,&nbsp;Ying Zhang ,&nbsp;Zongliang Zhang ,&nbsp;Yang Liu ,&nbsp;Yongle Chen ,&nbsp;Fangyang Liu ,&nbsp;Yang Lu","doi":"10.1016/j.actamat.2025.120915","DOIUrl":"10.1016/j.actamat.2025.120915","url":null,"abstract":"<div><div>Silicon anode is one of the most promising anode materials for sulfide all-solid-state batteries (ASSBs) due to its high theoretical specific capacity of up to 4200 mAh g<sup>−1</sup>. However, raw silicon anodes suffer from their intrinsic limitations, including low ionic and electronic conductivity, as well as significant mechanical stress arising from large volume changes during cycling. These factors contribute to the poor cycle life of silicon-based ASSBs. Herein, a double-layer structure composed of lithium-rich Li<sub>4.4</sub>Si alloy layer and nano silicon (nSi) anode layer, is proposed to address these issues. The double-layer structure enriches Li<sub>4.4</sub>Si on the current collector side, serving as conductive lithium reservoir that improves the Li<sup>+</sup> transport and electron conductivity. The low elastic modulus of Li<sub>4.4</sub>Si alleviates the mechanical stress induced by volume changes in the silicon upper layer. Finite element analysis indicates that the double-layer design reduces interfacial stress by three times, ensuring effective interfacial contact and providing abundant Li⁺ transport pathways. The ASSBs employing the double layer silicon anode coupled with LiNi<sub>0.8</sub>Mn<sub>0.1</sub>Co<sub>0.1</sub>O<sub>2</sub> (NCM811) cathode exhibit exceptional cycle stability, achieving the capacity retention rate of 86.50 % after 200 cycles at 0.5 C. Furthermore, a remarkable cell-level energy density of 308.04 Wh kg<sup>−1</sup> was achieved at a high loading of 3.38 mAh cm<sup>−2</sup>. The double-layer Li<sub>4.4</sub>Si/nSi anode can be incorporated into pouch cells, demonstrating good cycling stability. This design holds significant potential for the transition of sulfide ASSBs from laboratory-scale development to industrial applications.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"289 ","pages":"Article 120915"},"PeriodicalIF":8.3,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143576237","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Scalar permeability microstructure model considering crystallographic texture and grain size for magnetic evaluation of anisotropy in steel
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-03-07 DOI: 10.1016/j.actamat.2025.120863
Jun Liu , Claire Davis , Shuaichao Yue , Mohsen Aghadavoudi Jolfaei , Jialong Shen , Yongjian Li
{"title":"Scalar permeability microstructure model considering crystallographic texture and grain size for magnetic evaluation of anisotropy in steel","authors":"Jun Liu ,&nbsp;Claire Davis ,&nbsp;Shuaichao Yue ,&nbsp;Mohsen Aghadavoudi Jolfaei ,&nbsp;Jialong Shen ,&nbsp;Yongjian Li","doi":"10.1016/j.actamat.2025.120863","DOIUrl":"10.1016/j.actamat.2025.120863","url":null,"abstract":"<div><div>This paper presents a finite element microstructure model specifically designed to predict scalar anisotropic magnetic permeability. The model integrates crystallographic texture and grain size considerations within specific microstructures, offering a significant advancement in the analysis of scalar permeability and magnetic anisotropy. The model’s precision and robustness have been validated with two types of steel: commercial-grade grain-oriented electrical steel and industrially recrystallised Interstitial-Free steel. Validation was accomplished through comparative magnetic measurements using a modified rotational single sheet tester under varying magnetic field strengths. Additionally, the model employs a generalised power law approach to account for grain size effects, adapting different power laws as necessary. This aspect of the model has been corroborated with experimental data from the literature.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"289 ","pages":"Article 120863"},"PeriodicalIF":8.3,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143569583","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
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