Scripta Materialia最新文献

英文中文

Strong and ductile hetero-lamellar-structured alloy with a dual heterogeneous microstructure 具有双非均相组织的强韧性异质层状组织合金

IF 5.6 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Scripta Materialia

Pub Date : 2026-04-01 Epub Date: 2026-01-15 DOI: 10.1016/j.scriptamat.2026.117177

Mingyang Wang , Yi Li , Yuanhang Gao , Pengting Li , Yinong Wang , Yi Tan

High-strength, lamellar-structured Ni-Cr-Al alloys are critically important for industrial components, but their application is severely limited by an intrinsic brittleness originating from the rigid, non-deforming nature of the nano-scale α-Cr (BCC) lamellae. Here, we resolve this long-standing strength-ductility conflict by designing a “dual-heterostructure” that partitions the α-Cr strengthening phase into two functionally distinct morphologies: the original strength-providing nano-lamellae and the newly introduced, deformable submicron-scale globular particles. These submicron-scale particles uniquely capable of accommodating plasticity, acting as dynamic dislocation sinks to delocalize strain. This functional synergy activates a sustained, non-saturating hetero-deformation-induced (HDI) hardening, which continuously elevates the work-hardening rate. This unique mechanism produces an exceptional combination of an ultimate tensile strength over 1.5 GPa and a total elongation exceeding 17%. Our work demonstrates that engineering the deformability of a secondary hard phase, while preserving the primary strengthening backbone, offers a new and potent strategy for creating damage-tolerant, ultra-strong alloys.

高强度、片状结构的Ni-Cr-Al合金对于工业部件至关重要，但其应用受到α-Cr （BCC）纳米片的刚性和不变形特性所产生的固有脆性的严重限制。在这里，我们通过设计一种“双异质结构”来解决这种长期存在的强度-延性冲突，该结构将α-Cr强化相划分为两种功能不同的形态：原始的提供强度的纳米片层和新引入的可变形的亚微米尺度球状颗粒。这些亚微米尺度的颗粒具有独特的可塑性，作为动态位错汇来局部应变。这种功能协同作用激活了持续的、不饱和的异质变形诱导（HDI）硬化，从而不断提高加工硬化速率。这种独特的机制产生了超过1.5 GPa的极限抗拉强度和超过17%的总延伸率的特殊组合。我们的工作表明，在保留主要强化骨干的同时，设计二次硬相的可变形性，为制造耐损伤、超强合金提供了一种新的有效策略。

{"title":"Strong and ductile hetero-lamellar-structured alloy with a dual heterogeneous microstructure","authors":"Mingyang Wang , Yi Li , Yuanhang Gao , Pengting Li , Yinong Wang , Yi Tan","doi":"10.1016/j.scriptamat.2026.117177","DOIUrl":"10.1016/j.scriptamat.2026.117177","url":null,"abstract":"<div><div>High-strength, lamellar-structured Ni-Cr-Al alloys are critically important for industrial components, but their application is severely limited by an intrinsic brittleness originating from the rigid, non-deforming nature of the nano-scale α-Cr (BCC) lamellae. Here, we resolve this long-standing strength-ductility conflict by designing a “dual-heterostructure” that partitions the α-Cr strengthening phase into two functionally distinct morphologies: the original strength-providing nano-lamellae and the newly introduced, deformable submicron-scale globular particles. These submicron-scale particles uniquely capable of accommodating plasticity, acting as dynamic dislocation sinks to delocalize strain. This functional synergy activates a sustained, non-saturating hetero-deformation-induced (HDI) hardening, which continuously elevates the work-hardening rate. This unique mechanism produces an exceptional combination of an ultimate tensile strength over 1.5 GPa and a total elongation exceeding 17%. Our work demonstrates that engineering the deformability of a secondary hard phase, while preserving the primary strengthening backbone, offers a new and potent strategy for creating damage-tolerant, ultra-strong alloys.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"275 ","pages":"Article 117177"},"PeriodicalIF":5.6,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145973928","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

Microstructural and mechanical response of cold-sprayed copper subjected to annealing 退火后冷喷涂铜的组织与力学响应

IF 5.6 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Scripta Materialia

Pub Date : 2026-04-01 Epub Date: 2026-01-08 DOI: 10.1016/j.scriptamat.2025.117150

P.D. Unnikrishnan , M. Kamaraj , Christopher C. Berndt , Andrew Siao Ming Ang , Srinivasa Rao Bakshi

Cold-sprayed copper coatings are characterized by a severely deformed, heterogeneous microstructure, resulting in inherent brittleness. This brittleness stems from weak interparticle bonding, micro-pores, high plastic strain and dislocation density along with fine dynamically recrystallized grains at interfaces, which facilitate easy crack propagation. While annealing treatments are known to enhance metallurgical bonding and induce recrystallization, a significant improvement in failure strain remains elusive even after complete recrystallization. The fundamental impact of annealing on this complex, severely deformed microstructure is not yet fully understood. This study presents an in-depth investigation into the microstructural evolution and mechanical properties of cold-sprayed copper across a range of annealing conditions. Hardness, microstructure, and thermal analysis studies show that recrystallization peaks are below 250 °C, with a relatively lower activation energy of 71 kJ.mol^-1, indicative of high stored energy. The mechanism of bimodal grain size formation upon annealing is discussed, which is a primary factor limiting ductility.

冷喷涂铜涂层的特点是严重变形，不均匀的微观结构，导致固有的脆性。这种脆性源于颗粒间结合弱、微孔、高塑性应变和位错密度以及界面处细小的动态再结晶晶粒，有利于裂纹扩展。虽然已知退火处理可以增强冶金结合并诱导再结晶，但即使在完全再结晶之后，失效应变的显着改善仍然难以实现。退火对这种复杂的、严重变形的微观结构的基本影响尚未完全了解。本研究对冷喷涂铜在不同退火条件下的组织演变和力学性能进行了深入的研究。硬度、显微组织和热分析研究表明，再结晶峰在250℃以下，活化能较低，为71 kJ。Mol-1，表示高储存能量。讨论了退火后双峰晶粒尺寸形成的机理，这是限制延展性的主要因素。

{"title":"Microstructural and mechanical response of cold-sprayed copper subjected to annealing","authors":"P.D. Unnikrishnan , M. Kamaraj , Christopher C. Berndt , Andrew Siao Ming Ang , Srinivasa Rao Bakshi","doi":"10.1016/j.scriptamat.2025.117150","DOIUrl":"10.1016/j.scriptamat.2025.117150","url":null,"abstract":"<div><div>Cold-sprayed copper coatings are characterized by a severely deformed, heterogeneous microstructure, resulting in inherent brittleness. This brittleness stems from weak interparticle bonding, micro-pores, high plastic strain and dislocation density along with fine dynamically recrystallized grains at interfaces, which facilitate easy crack propagation. While annealing treatments are known to enhance metallurgical bonding and induce recrystallization, a significant improvement in failure strain remains elusive even after complete recrystallization. The fundamental impact of annealing on this complex, severely deformed microstructure is not yet fully understood. This study presents an in-depth investigation into the microstructural evolution and mechanical properties of cold-sprayed copper across a range of annealing conditions. Hardness, microstructure, and thermal analysis studies show that recrystallization peaks are below 250 °C, with a relatively lower activation energy of 71 kJ.mol<sup>-1</sup>, indicative of high stored energy. The mechanism of bimodal grain size formation upon annealing is discussed, which is a primary factor limiting ductility.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"275 ","pages":"Article 117150"},"PeriodicalIF":5.6,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145940465","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

Structural tuning of nanoporous metal via electrodeposition 电沉积纳米多孔金属的结构调谐

IF 5.6 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Scripta Materialia

Pub Date : 2026-04-01 Epub Date: 2026-01-12 DOI: 10.1016/j.scriptamat.2026.117169

Yingji Sang , Liangyu Li , Jie Li , Qing Chen

Nanoporous metal, fabricated via the selective dissolution of an alloy (i.e., dealloying), can be filled with another metal via electrodeposition to create unique, functional structures unattainable via just dealloying. In this work, by controlling the charge of Ni deposition, we finetune the porosity and the pore width of nanoporous copper. At a sufficiently low rate, the deposition proceeds uniformly under interface control, until the porosity approaches a percolation threshold, which also governs the smallest attainable pore width. Via microscopic characterizations, we determine that we can tune down the porosity from 57.5 % to 15.8 % and the pore width from 89 nm to 34 nm. A tuned structure that retains the structural bi-continuity rejects 80 % KCl from a 1 mM solution, a function not available in the pristine structure but enabled by the narrowed pores.

纳米多孔金属是通过合金的选择性溶解（即脱合金）制成的，可以通过电沉积被另一种金属填充，从而产生独特的功能结构，这是仅通过脱合金无法实现的。本文通过控制镍沉积电荷，对纳米多孔铜的孔隙率和孔径进行了微调。在足够低的速率下，沉积在界面控制下均匀进行，直到孔隙度接近渗透阈值，该阈值也决定了可达到的最小孔隙宽度。通过微观表征，我们确定可以将孔隙度从57.5%降至15.8%，孔隙宽度从89 nm降至34 nm。调整后的结构保留了结构双连续性，可以从1mm溶液中拒绝80%的KCl，这在原始结构中是不可用的，但通过缩小的孔隙实现了这一功能。

引用次数: 0

The role of grain size distribution on the anomalous yielding of ultrafine-grained Au thin films 晶粒尺寸分布对超细晶金薄膜异常屈服的影响

IF 5.6 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Scripta Materialia

Pub Date : 2026-04-01 Epub Date: 2026-01-15 DOI: 10.1016/j.scriptamat.2026.117178

Yichen Yang , Kunqing Ding , Ting Zhu , Josh Kacher , Olivier Pierron

Ultrafine grained metals, with grain size ranging from 100 nm to 1 μm, generally exhibit increasing strength with decreasing grain size, as expected by the Hall-Petch relationship. Contrary to this trend, we observe an increase in yield strength from 310 to 520 MPa as the average grain size of Au thin films increases from 140 to 360 nm after annealing at 350 °C. Quantitative in situ TEM nanomechanical testing reveals that the grain size distribution plays a key role in determining the films’ yield strength. In the as-deposited state, a large area fraction of nanograins (<50 nm in size) adjacent to larger grains results in substantial stress-assisted grain-boundary migration and grain coalescence, leading to yielding at relatively low applied stresses. When these small grains are removed through annealing, grain boundary migration is largely suppressed, and higher stresses are required to initiate dislocation-mediated yielding, despite the coarser average grain size.

晶粒尺寸在100 nm ~ 1 μm范围内的超细晶金属，强度随晶粒尺寸的减小而增大，与Hall-Petch关系一致。与此趋势相反，我们观察到在350℃退火后，随着Au薄膜的平均晶粒尺寸从140 nm增加到360 nm，屈服强度从310增加到520 MPa。定量的原位TEM纳米力学测试表明，晶粒尺寸分布对薄膜的屈服强度起关键作用。在沉积状态下，大面积的纳米晶粒（尺寸为50 nm）靠近较大的晶粒，导致大量的应力辅助晶界迁移和晶粒聚结，导致在相对较低的外加应力下屈服。当这些小晶粒通过退火去除时，晶界迁移在很大程度上被抑制，尽管平均晶粒尺寸更粗，但需要更高的应力来启动位错介导的屈服。

引用次数: 0

Evolution of thermoelectric properties in Cu2-xSe films with ordered porous structures 有序多孔结构Cu2-xSe薄膜热电性能的演化

IF 5.6 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Scripta Materialia

Pub Date : 2026-04-01 Epub Date: 2026-01-23 DOI: 10.1016/j.scriptamat.2026.117183

Shang Sun , Mingdi Lan , Guojian Li , Shiying Liu , Jingyi Zhu , Kai Wang , Qiang Wang

Porous structures can enhance thermoelectric films by suppressing heat transport, but excessive porosity degrades electrical conduction. Here, β-Cu_2-xSe films with four pore architectures (non-pore, through-pore, half through-pore and sealing-pore) were grown on AAO templates by tuning the thickness. The sealing-pore film combines internal pores with a dense surface layer, which blocks heat flow while providing continuous carrier pathways. As a result, at 250 °C it yields a power factor of about 460 μW·m^-1·K^-2 and a maximum power density of 0.58 W·m^-2, where the maximum power density is nearly twice that of the non-pore film prepared under the same conditions. These results show that sealing-pore structure can balance thermal insulation and electrical transport, offering a simple method for high-performance Cu_2-xSe TE films and devices.

多孔结构可以通过抑制热传递来增强热电膜，但过度的多孔性会降低导电性。通过调整厚度，在AAO模板上生长了具有四种孔隙结构（无孔、透孔、半透孔和密封孔）的β-Cu2-xSe薄膜。密封孔膜将内部孔隙与致密的表面层结合在一起，在提供连续载体通道的同时阻止热流。结果表明，在250℃下，该薄膜的功率因数约为460 μW·m-1·K-2，最大功率密度为0.58 W·m-2，是相同条件下制备的无孔薄膜的近两倍。这些结果表明，密封孔结构可以平衡隔热和电传输，为高性能Cu2-xSe TE薄膜和器件提供了一种简单的方法。

引用次数: 0

Rational design strategy for rare-earth monosilicate with tailored thermal behavior 具有定制热行为的稀土单硅酸盐的合理设计策略

IF 5.6 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Scripta Materialia

Pub Date : 2026-04-01 Epub Date: 2026-01-22 DOI: 10.1016/j.scriptamat.2026.117185

Jiayi Xiong , Haoyu Wang , Guangheng Zhang , Xirui Lv , Jiemin Wang , Jie Zhang , Jingyang Wang

Advanced multifunctional thermal environmental barrier coatings (TEBCs) are in high demand to provide environmental protection and thermal insulation for SiC-based ceramic matrix composites (CMCs). Here, the non-equiatomic high-entropy strategy was employed, expanding the vast chemical and size disorder space and enabling fine-tuning distortions to tailor the thermal behavior. Through intentional modification of Y concentration, the structural features were characterized using a Cs-corrected transmission electron microscope and a neutron powder diffractometer. It has been established that tunable distortion of [ORE₄] tetrahedra endows the platform for tailoring the thermal expansion coefficient, and that the mass disorder contributes to lower thermal conductivity. This work highlights the feasibility of designing RE monosilicates for TEBC applications.

先进的多功能热环境屏障涂层（tebc）为sic基陶瓷基复合材料（cmc）提供了环保和隔热功能。在这里，采用了非等原子高熵策略，扩展了巨大的化学和尺寸无序空间，并允许微调扭曲来定制热行为。通过有意修改Y浓度，用cs校正透射电镜和中子粉末衍射仪对其结构特征进行了表征。研究表明，[ORE4]四面体的可调变形为调整热膨胀系数提供了平台，质量无序有助于降低导热系数。这项工作强调了设计用于TEBC应用的稀土单硅酸盐的可行性。

引用次数: 0

Realizing zero thermal expansion in NaSICON structure framework materials via controlling guest ions 通过控制客体离子实现NaSICON结构框架材料的零热膨胀

IF 5.6 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Scripta Materialia

Pub Date : 2026-04-01 Epub Date: 2026-01-15 DOI: 10.1016/j.scriptamat.2026.117180

Hong Lian , Qi Miao , Xinwei Shi , Yilin Wang , Kaiyue Zhao , Juan Guo , Erjun Liang , Qilong Gao

Zero thermal expansion (ZTE) materials hold significant application potential in precision industrial equipment. Based on the design concept of average atomic volume, this study successfully constructed the K_xMg_xIn_2-_xMo₃O₁₂:0.15Yb³⁺/0.03Er³⁺(x = 0.4∼1.0) material series through innovative modifications to the NASICON-type structure. This was achieved by replacing the PO₄ tetrahedra (1.856Å³) in the conventional NZP framework with larger MoO₄ tetrahedra (3.099Å³) and introducing a K⁺-Mg²⁺/In³⁺ combination to achieve charge balance and lattice expansion. This is attributed to the reduced K⁺ content enhancing the lateral vibrational ability of oxygen atoms, thereby counteracting thermal expansion; simultaneously, as the volumetric thermal expansion coefficient approaches zero, the thermally enhanced upconversion luminescence effect gradually intensifies. This study achieved controllable regulation of thermal expansion and obtained ZTE materials, providing new insight for elucidating the intrinsic relationship between thermal expansion and luminescence thermal enhancement.

零热膨胀（ZTE）材料在精密工业设备中具有巨大的应用潜力。本研究基于平均原子体积的设计理念，通过对nasicon型结构进行创新性修改，成功构建了KxMgxIn2-xMo3O12:0.15Yb3+/0.03Er3+(x = 0.4 ~ 1.0)材料系列。这是通过将传统NZP框架中的PO4四面体（1.856Å3）替换为更大的MoO4四面体（3.099Å3）并引入K+-Mg2+/In3+组合来实现电荷平衡和晶格扩展来实现的。这是由于K +含量的降低增强了氧原子的横向振动能力，从而抵消了热膨胀；同时，随着体积热膨胀系数趋近于零，热增强上转换发光效应逐渐增强。本研究实现了热膨胀的可控调控，获得了ZTE材料，为阐明热膨胀与发光热增强之间的内在关系提供了新的视角。

{"title":"Realizing zero thermal expansion in NaSICON structure framework materials via controlling guest ions","authors":"Hong Lian , Qi Miao , Xinwei Shi , Yilin Wang , Kaiyue Zhao , Juan Guo , Erjun Liang , Qilong Gao","doi":"10.1016/j.scriptamat.2026.117180","DOIUrl":"10.1016/j.scriptamat.2026.117180","url":null,"abstract":"<div><div>Zero thermal expansion (ZTE) materials hold significant application potential in precision industrial equipment. Based on the design concept of average atomic volume, this study successfully constructed the K<em><sub>x</sub></em>Mg<em><sub>x</sub></em>In<sub>2-</sub><em><sub>x</sub></em>Mo<sub>3</sub>O<sub>12</sub>:0.15Yb<sup>3+</sup>/0.03Er<sup>3+</sup>(<em>x</em> = 0.4∼1.0) material series through innovative modifications to the NASICON-type structure. This was achieved by replacing the PO<sub>4</sub> tetrahedra (1.856Å<sup>3</sup>) in the conventional NZP framework with larger MoO<sub>4</sub> tetrahedra (3.099Å<sup>3</sup>) and introducing a K<sup>+</sup>-Mg<sup>2+</sup>/In<sup>3+</sup> combination to achieve charge balance and lattice expansion. This is attributed to the reduced K⁺ content enhancing the lateral vibrational ability of oxygen atoms, thereby counteracting thermal expansion; simultaneously, as the volumetric thermal expansion coefficient approaches zero, the thermally enhanced upconversion luminescence effect gradually intensifies. This study achieved controllable regulation of thermal expansion and obtained ZTE materials, providing new insight for elucidating the intrinsic relationship between thermal expansion and luminescence thermal enhancement.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"275 ","pages":"Article 117180"},"PeriodicalIF":5.6,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145973929","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

Anisotropic phase transformation of Cu6Sn5 driven by electromigration in lead-free solder joints 无铅焊点中电迁移驱动Cu6Sn5的各向异性相变

IF 5.6 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Scripta Materialia

Pub Date : 2026-04-01 Epub Date: 2026-01-08 DOI: 10.1016/j.scriptamat.2025.117154

C. Li , H.Z. Zhang , X.Y. Li , Z.L. Ma , X.W. Cheng

Electromigration (EM) effects on intermetallic compound evolution remain incompletely understood despite their critical role in solder joint reliability. Through correlated transmission electron microscopy (TEM) and ab initio molecular dynamics (AIMD) simulations of Sn-3.0Ag-0.5Cu solder joints under current stressing, we reveal for the first time that EM imposes crystallographic selection during η-to-η' transformation in Cu₆Sn₅—suppressing η' variants via electron-wind-aligned atomic migration while accelerating η' growth. Atomic-scale simulations establish that EM redirects this phase transformation via kinetically impeding atomic shuffling, as indicated by the elevated interfacial shear strain. This newly identified current-steered phase transformation represents a paradigm shift in understanding EM-induced damage—demonstrating that electric fields not only accelerate but also crystallographically constrain solid-state transformations in Cu₆Sn₅ intermetallic. The resulting anisotropic η'-Cu₆Sn₅ microstructures may concentrate degradation pathways, highlighting critical implications for reliability in high-current-density microelectronics where texture-dominated failure may emerge.

电迁移（EM）对金属间化合物演化的影响在焊点可靠性中起着至关重要的作用。通过相关透射电子显微镜（TEM）和从头算分子动力学（AIMD）模拟Sn-3.0Ag-0.5Cu焊点电流应力，我们首次揭示了EM通过电子风取向原子迁移在cu6sn5抑制η′变异体中加速η′生长的过程中施加晶体学选择。原子尺度的模拟表明，EM通过动力学阻碍原子洗牌来重定向这种相变，正如界面剪切应变升高所表明的那样。这种新发现的电流导向相变代表了理解em诱导损伤的范式转变，表明电场不仅加速而且在晶体学上限制了Cu6Sn5金属间化合物的固态转变。由此产生的各向异性η′-Cu6Sn5微观结构可能集中了降解途径，突出了高电流密度微电子可靠性的关键意义，其中可能出现织构主导失效。

{"title":"Anisotropic phase transformation of Cu6Sn5 driven by electromigration in lead-free solder joints","authors":"C. Li , H.Z. Zhang , X.Y. Li , Z.L. Ma , X.W. Cheng","doi":"10.1016/j.scriptamat.2025.117154","DOIUrl":"10.1016/j.scriptamat.2025.117154","url":null,"abstract":"<div><div>Electromigration (EM) effects on intermetallic compound evolution remain incompletely understood despite their critical role in solder joint reliability. Through correlated transmission electron microscopy (TEM) and ab initio molecular dynamics (AIMD) simulations of Sn-3.0Ag-0.5Cu solder joints under current stressing, we reveal for the first time that EM imposes crystallographic selection during η-to-η' transformation in Cu<sub>6</sub>Sn<sub>5</sub>—suppressing η' variants via electron-wind-aligned atomic migration while accelerating η' growth. Atomic-scale simulations establish that EM redirects this phase transformation via kinetically impeding atomic shuffling, as indicated by the elevated interfacial shear strain. This newly identified current-steered phase transformation represents a paradigm shift in understanding EM-induced damage—demonstrating that electric fields not only accelerate but also crystallographically constrain solid-state transformations in Cu<sub>6</sub>Sn<sub>5</sub> intermetallic. The resulting anisotropic η'-Cu<sub>6</sub>Sn<sub>5</sub> microstructures may concentrate degradation pathways, highlighting critical implications for reliability in high-current-density microelectronics where texture-dominated failure may emerge.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"275 ","pages":"Article 117154"},"PeriodicalIF":5.6,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145940433","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

Boron-pnictogen donor-acceptor bonding as a perovskite design principle: DFT case study of quasi 0D A(BX3)2 (A=BeBH3, MgBH3; B=Sb, Bi; X=I) 硼-烟原给受体键合作为钙钛矿设计原理：准DFT案例研究a (BX3)2 （a =BeBH3, MgBH3； B=Sb, Bi； X=I）

IF 5.6 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Scripta Materialia

Pub Date : 2026-04-01 Epub Date: 2026-01-07 DOI: 10.1016/j.scriptamat.2026.117166

R. Kevorkyants , D.S. Shtarev

DFT study on the crystal structure and optoelectronic properties of hypothetical quasi 0D perovskites ABX₃ (A=BeBH₃, MgBH₃; B=Sb, Bi; X = I) is presented. They are predicted to be dynamically stable species with P1 spatial symmetry and electronic bandgaps in the range [1.77–1.95] eV. Electronic transitions shall occur between VBs (I^-) and CBs (Sb³⁺ or Bi³⁺) formed from p-electron orbitals. The computed charge density indicates a formation of donor-acceptor bond between vacant 2p-orbital of boron and valence s² lone electron pairs of the pnictogen cations. Atoms of the alkaline earth metals are not involved in chemical bonding and resemble noble gas atoms encapsulated in minerals. Thus, during a fictitious perovskite formation from the pnictogen iodides and BeBH₃ or MgBH₃ complexes the BH₃ molecule must recoordinate. This study demonstrates unusual donor-acceptor interactions in perovskites broadening our knowledge of their physico-chemical properties and paving the way to their prospective applications.

对拟0D钙钛矿ABX3 （A=BeBH3, MgBH3； B=Sb, Bi; X = I）的晶体结构和光电性能进行了DFT研究。预测它们是具有P1空间对称性和电子带隙在[1.77 ~ 1.95]eV范围内的动态稳定物质。电子跃迁发生在VBs （I-）和由p电子轨道形成的CBs （Sb3+或Bi3+）之间。计算出的电荷密度表明硼的2p空轨道和烟原离子的s2价孤电子对之间形成了供体-受体键。碱土金属的原子不参与化学键，类似于包裹在矿物中的稀有气体原子。因此，在虚构的钙钛矿形成过程中，由碘化烟原和BeBH3或MgBH3络合物形成的BH3分子必须重新协调。这项研究证明了钙钛矿中不同寻常的供体-受体相互作用，拓宽了我们对其物理化学性质的认识，并为其未来的应用铺平了道路。

{"title":"Boron-pnictogen donor-acceptor bonding as a perovskite design principle: DFT case study of quasi 0D A(BX3)2 (A=BeBH3, MgBH3; B=Sb, Bi; X=I)","authors":"R. Kevorkyants , D.S. Shtarev","doi":"10.1016/j.scriptamat.2026.117166","DOIUrl":"10.1016/j.scriptamat.2026.117166","url":null,"abstract":"<div><div>DFT study on the crystal structure and optoelectronic properties of hypothetical quasi 0D perovskites ABX<sub>3</sub> (<em>A</em>=BeBH<sub>3</sub>, MgBH<sub>3</sub>; <em>B</em>=Sb, Bi; <em>X</em> = <em>I</em>) is presented. They are predicted to be dynamically stable species with P1 spatial symmetry and electronic bandgaps in the range [1.77–1.95] eV. Electronic transitions shall occur between VBs (I<sup>-</sup>) and CBs (Sb<sup>3+</sup> or Bi<sup>3+</sup>) formed from <em>p</em>-electron orbitals. The computed charge density indicates a formation of donor-acceptor bond between vacant 2<em>p</em>-orbital of boron and valence s<sup>2</sup> lone electron pairs of the pnictogen cations. Atoms of the alkaline earth metals are not involved in chemical bonding and resemble noble gas atoms encapsulated in minerals. Thus, during a fictitious perovskite formation from the pnictogen iodides and BeBH<sub>3</sub> or MgBH<sub>3</sub> complexes the BH<sub>3</sub> molecule must recoordinate. This study demonstrates unusual donor-acceptor interactions in perovskites broadening our knowledge of their physico-chemical properties and paving the way to their prospective applications.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"275 ","pages":"Article 117166"},"PeriodicalIF":5.6,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145940423","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

Elemental segregation-dependent γ″ nucleation on stacking faults during creep in 718Plus superalloy 718Plus高温合金蠕变过程中元素偏析依赖γ″成核

IF 5.6 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Scripta Materialia

Pub Date : 2026-04-01 Epub Date: 2026-01-22 DOI: 10.1016/j.scriptamat.2026.117186

Shuan Ma , Jian Liu , Jingyu Zhang , Minqing Wang , Shaolan Wang , Yixuan He , Yiwei Ju , Huiling Duan , Jing Zhu

In this study, we investigate the segregation behavior and interactions of stacking faults(SFs) and microtwins in the 718Plus under 650 °C/800 MPa and 730 °C/500 MPa by atomic-scale Z-contrast (High angle annular dark field image, HAADF) in combination with creep models. Our results reveal that creep deformation is dominated by SFs and microtwins, with pronounced Nb and Co enrichment alongside Al and Ni depletion at SFs sites. Furthermore, γ″-Ni₃Nb precipitates nucleate preferentially at SFs intersections, suggesting a dynamic interplay between defect evolution and precipitation. A comparative analysis of microtwinning-based creep models and experimental data demonstrates that microtwinning in the γ' phase provides the dominant strengthening contribution, yielding a slip resistance of approximately 92.3 MPa-accounting for 62% of the total hardening. In stark contrast, γ″-induced hardening is negligible (∼0.15 MPa). These atomic-scale insights advance our understanding of creep mechanisms and γ″ precipitation in 718Plus superalloys, providing critical guidance for alloy design.

在本研究中，我们采用原子尺度z对比（高角环形暗场图像，HAADF）结合蠕变模型，研究了650°C/800 MPa和730°C/500 MPa条件下718Plus层析断层（sf）和微孪晶的偏析行为和相互作用。结果表明，蠕变变形主要由SFs和微孪晶主导，在SFs位点有明显的Nb和Co富集以及Al和Ni亏损。此外，γ″-Ni3Nb在SFs交叉处优先析出成核，表明缺陷演化与析出之间存在动态相互作用。基于微孪晶蠕变模型和实验数据的对比分析表明，微孪晶在γ′相中起主要的强化作用，其抗滑性能约为92.3 mpa，占总硬化量的62%。与此形成鲜明对比的是，γ″诱导的硬化可以忽略不计（~ 0.15 MPa）。这些原子尺度的见解促进了我们对718Plus高温合金中蠕变机制和γ″沉淀的理解，为合金设计提供了关键指导。

{"title":"Elemental segregation-dependent γ″ nucleation on stacking faults during creep in 718Plus superalloy","authors":"Shuan Ma , Jian Liu , Jingyu Zhang , Minqing Wang , Shaolan Wang , Yixuan He , Yiwei Ju , Huiling Duan , Jing Zhu","doi":"10.1016/j.scriptamat.2026.117186","DOIUrl":"10.1016/j.scriptamat.2026.117186","url":null,"abstract":"<div><div>In this study, we investigate the segregation behavior and interactions of stacking faults(SFs) and microtwins in the 718Plus under 650 °C/800 MPa and 730 °C/500 MPa by atomic-scale Z-contrast (High angle annular dark field image, HAADF) in combination with creep models. Our results reveal that creep deformation is dominated by SFs and microtwins, with pronounced Nb and Co enrichment alongside Al and Ni depletion at SFs sites. Furthermore, γ″-Ni<sub>3</sub>Nb precipitates nucleate preferentially at SFs intersections, suggesting a dynamic interplay between defect evolution and precipitation. A comparative analysis of microtwinning-based creep models and experimental data demonstrates that microtwinning in the γ' phase provides the dominant strengthening contribution, yielding a slip resistance of approximately 92.3 MPa-accounting for 62% of the total hardening. In stark contrast, γ″-induced hardening is negligible (∼0.15 MPa). These atomic-scale insights advance our understanding of creep mechanisms and γ″ precipitation in 718Plus superalloys, providing critical guidance for alloy design.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"275 ","pages":"Article 117186"},"PeriodicalIF":5.6,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146034866","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

首页上一页

下一页尾页

类型

全部化学•材料生命科学医学物理工程技术环境•农林材料科学地球科学法学管理学化学环境科学与生态学计算机科学教育学经济学农林科学人文科学生物学数学物理与天体物理心理学综合性期刊其他工业工程理学历史学农学文学信息工程

数据库

全部 ACS Publications Elsevier ieeexplore Springer The Royal Society of Chemistry Wiley

期刊

Scripta Materialia

全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.

﹀