Acta Materialia最新文献

{"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}

{"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}

{"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}

{"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_1-xAl_x)_0.92W_0.08N 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 ∼ 6.3·10¹¹ – 1.2·10¹² cm⁻² in the 0.07 ≤ x ≤ 0.58 range and decreases to 1.8·10¹¹ cm⁻² 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}

{"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}

{"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⁻¹. 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_4.4Si alloy layer and nano silicon (nSi) anode layer, is proposed to address these issues. The double-layer structure enriches Li_4.4Si on the current collector side, serving as conductive lithium reservoir that improves the Li⁺ transport and electron conductivity. The low elastic modulus of Li_4.4Si 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_0.8Mn_0.1Co_0.1O₂ (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⁻¹ was achieved at a high loading of 3.38 mAh cm⁻². The double-layer Li_4.4Si/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}

{"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}

{"title":"Energetics of high pressure monoclinic Y2O3 and Er2O3 from experiment and computation","authors":"I.D. Matyushov ,&nbsp;B.G. Aberra ,&nbsp;G.A. Agbanga ,&nbsp;L.J. Leinbach ,&nbsp;K.D. Leinenweber ,&nbsp;B.L. Brugman ,&nbsp;S.V. Ushakov ,&nbsp;Q.-J. Hong ,&nbsp;A. Navrotsky","doi":"10.1016/j.actamat.2025.120910","DOIUrl":"10.1016/j.actamat.2025.120910","url":null,"abstract":"<div><div>Many rare earth sesquioxides (RE₂O₃) undergo a series of structural transitions at high temperature and pressure. The high pressure phases are metastable at ambient conditions and exhibit different physical properties from their corresponding low pressure phases, making them candidates for new technological applications. Despite this potential, there is little experimental data available on the energetics of the high <em>P</em> – <em>T</em> forms of these materials, which is necessary to understand their stability. We used high <em>P</em> – <em>T</em> conditions to drive the C → B transition in Y₂O₃ and Er₂O₃, conducted first principles calculations, and used high temperature oxide melt solution and scanning calorimetry to explore the fundamental energetics of the transformation reactions in both materials. The reaction enthalpy of the cubic C-type → monoclinic B-type transformation from oxide melt solution calorimetry is 15.57 ± 4.50 kJ/mol for Y₂O₃ and 15.89 ± 4.00 kJ/mol for Er₂O₃. These values are similar to those predicted by density functional theory for both materials and to the transition enthalpy for Er₂O₃ determined by differential scanning calorimetry. For Y₂O₃, calorimetry with complementary in situ high temperature X-ray diffraction measurements indicate a sluggish reversal to the low pressure phase over an 873 K temperature interval when heated, suggesting that kinetics control the decomposition process. Ultimately both Y₂O₃ and Er₂O₃ revert to the cubic phase when heated to 623 – 723 K. This work provides experimental data on the energetics of the transformation from cubic to monoclinic Y₂O₃ and Er₂O₃. Similar data on other rare earth oxides and higher pressure phases of all RE₂O₃ are needed so that comprehensive stability models can be developed and implemented to support new applications.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"289 ","pages":"Article 120910"},"PeriodicalIF":8.3,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143560849","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}

{"title":"Exploring grain-resolved strain tensors and non-uniform lattice deformations with Laue 3DNDT","authors":"Camilla B. Larsen ,&nbsp;Stavros Samothrakitis ,&nbsp;Robin Woracek ,&nbsp;Efthymios Polatidis ,&nbsp;Jan Čapek ,&nbsp;Manas V. Upadhyay ,&nbsp;Michael Tovar ,&nbsp;Søren Schmidt ,&nbsp;Markus Strobl","doi":"10.1016/j.actamat.2025.120869","DOIUrl":"10.1016/j.actamat.2025.120869","url":null,"abstract":"<div><div>Oligocrystalline and polycrystalline materials often display intricate grain-resolved deformation behaviours due to grain interactions, size effects, defects, and crystalline anisotropy. Gaining a deep understanding of grain deformation mechanics is essential for optimising the performance of materials in engineering and other applications. This necessitates the development of advanced experimental and theoretical tools to accurately capture and analyse these complex behaviours. Here, Laue three-dimensional neutron diffraction tomography is introduced as a high-throughput, non-destructive method to characterise grain-resolved strain and orientation changes in an oligocrystalline Co-Ni-Ga ferromagnetic shape-memory alloy during compressive deformation. Grain-resolved strain tensors were determined for 7 out of the total 11 grains indexed with a strain resolution of approximately 10⁻³, over an applied strain range of 0%<!--> <!-->–<!--> <!-->2%. These results were obtained across various stress steps in situ, enabling direct comparisons with single-crystal models and elasto-viscoplastic Fast Fourier Transform simulations. The study demonstrates how accurate modelling of deformation behaviour, even in the elastic regime, requires detailed knowledge of the sample microstructure. Furthermore, the results reveal non-uniform deformation mechanics within individual grains, emphasising the value of Laue 3DNDT in understanding meso-scale material behaviour.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"289 ","pages":"Article 120869"},"PeriodicalIF":8.3,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143546560","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}

{"title":"Enhancing elemental phase-change chalcogenide glass through tailored alloying","authors":"Qundao Xu ,&nbsp;Meng Xu ,&nbsp;Rongchuan Gu ,&nbsp;Siqi Tang ,&nbsp;Shaojie Yuan ,&nbsp;Songyou Wang ,&nbsp;Zhongrui Wang ,&nbsp;Cai-Zhuang Wang ,&nbsp;Xiangshui Miao ,&nbsp;Riccardo Mazzarello ,&nbsp;Ming Xu","doi":"10.1016/j.actamat.2025.120896","DOIUrl":"10.1016/j.actamat.2025.120896","url":null,"abstract":"<div><div>Phase-change memory is vital in the contemporary nonvolatile memory due to its exceptional storage density and swift read/write speed. Yet, the evolution of artificial intelligence (AI) technology imposes stricter performance demands, necessitating the development of phase-change materials (PCMs) with tailored properties. While doping strategies are commonly employed to devise new PCMs, engineers often resort to the costly \"trial-and-error\" methodology due to the lack of a comprehensive understanding of how different doping elements influence material properties. Through multi-scale molecular dynamics calculations, this study systematically investigates the alloying mechanisms of various elements with antimony (Sb), thereby advancing the methodological framework for PCM design. Analysis of the amorphous structure, bonding nature, and dynamics of binary Sb-based alloys reveals three categories of dopants: tetrahedral (e.g., Al, Zn, Ga), octahedral (e.g., Cd, In, Sn), and compact polyhedral (e.g., Sc, Ti, Y, Zr). Different dopant groups show unique influences on PCMs: octahedral dopants facilitate faster crystallization kinetics, polyhedral dopants contribute to improved thermal stability, and tetrahedral dopants strike a balance performance. Based on these findings, we predict and evaluate the potential of four new candidate materials for memory applications. Altogether, our research not only deepens the understanding of Sb-based PCMs but also lays the foundation for innovative material design paradigms.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"289 ","pages":"Article 120896"},"PeriodicalIF":8.3,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143546559","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}