Acta Materialia最新文献

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Utilizing distinctive crystalline/amorphous nano-domains to facilitate multi-polarization behavior for broadband electromagnetic wave absorption 利用独特的晶体/非晶纳米畴促进宽带电磁波吸收的多极化行为
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-05-18 DOI: 10.1016/j.actamat.2025.121154
Liang Yan , Yujing Zhang , Yilin Zhang , Pan Ying , Chuyang Liu , Jie Jiang , Xiaopeng Li , Dong-Hyun Kim , Zhi Zhang , Feng Xu , Zhihui Zeng
{"title":"Utilizing distinctive crystalline/amorphous nano-domains to facilitate multi-polarization behavior for broadband electromagnetic wave absorption","authors":"Liang Yan ,&nbsp;Yujing Zhang ,&nbsp;Yilin Zhang ,&nbsp;Pan Ying ,&nbsp;Chuyang Liu ,&nbsp;Jie Jiang ,&nbsp;Xiaopeng Li ,&nbsp;Dong-Hyun Kim ,&nbsp;Zhi Zhang ,&nbsp;Feng Xu ,&nbsp;Zhihui Zeng","doi":"10.1016/j.actamat.2025.121154","DOIUrl":"10.1016/j.actamat.2025.121154","url":null,"abstract":"<div><div>The polarization effect has been unequivocally demonstrated to markedly enhance the microwave absorption performance. However, the pursuit of achieving broadband absorption through meticulously designed polarization behavior continues to pose a formidable challenge. In this work, we present a unique multi-polarization strategy in the La(OH)<sub>3</sub>/N-doped rGO composites, incorporating dipole polarization induced by nitrogen doping and intrinsic defects, homogeneous interfacial polarization contributed by locally crystalized nano-domains in La(OH)<sub>3</sub>, and heterogeneous interfacial polarization at the heterojunctions between La(OH)<sub>3</sub> and N-doped rGO, to significantly enhance the multi-band polarization loss. Experimental and theoretical investigations reveal that the La(OH)<sub>3</sub>/N-doped rGO hybrid featuring distinctive crystalline/amorphous nano-domains exhibits remarkable coupling effects, encompassing an enhanced electron transport rate and strengthened interfacial electron interactions. The improved electron transport is attributed to increased electron transitions at heterojunctions with matched Fermi levels and enhanced charge conduction from the crystalline regions within La(OH)<sub>3</sub>. Furthermore, strong polarization relaxation at these heterojunction interfaces, along with weaker but significant polarization at numerous homogeneous interfaces, contributes to the enhanced interactions. Consequently, an exceptional minimal reflection loss of -69.6 dB has been achieved, accompanied by an impressive effective absorption bandwidth of 7.7 GHz, which surpasses that of the current state-of-the-art microwave absorbers. This work unveils an innovative design paradigm aimed at the meticulous regulation of polarization loss, thereby laying a robust foundation for the advancement of high-performance absorbers.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"294 ","pages":"Article 121154"},"PeriodicalIF":8.3,"publicationDate":"2025-05-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144083246","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
Rules for the crystallite size and dislocation density evolution in phases during α-ω transformation in Zr under high-pressure and severe plastic flow 高压和强塑性流动条件下Zr α-ω相变中晶粒尺寸和位错密度的相演化规律
IF 9.4 1区 材料科学
Acta Materialia Pub Date : 2025-05-18 DOI: 10.1016/j.actamat.2025.121151
Feng Lin, Valery I. Levitas, Krishan K. Pandey, Sorb Yesudhas, Changyong Park
{"title":"Rules for the crystallite size and dislocation density evolution in phases during α-ω transformation in Zr under high-pressure and severe plastic flow","authors":"Feng Lin, Valery I. Levitas, Krishan K. Pandey, Sorb Yesudhas, Changyong Park","doi":"10.1016/j.actamat.2025.121151","DOIUrl":"https://doi.org/10.1016/j.actamat.2025.121151","url":null,"abstract":"The first in-situ X-ray diffraction (XRD) study of the evolution of the crystallite size and dislocation density in phases during plastic strain-induced phase transformation (PT) is performed utilizing α-ω PT in strongly pre-deformed commercially pure Zr as an important example. Rough diamond anvils (rough-DA) are introduced to intensify all occurring processes during heterogeneous compression of Zr in a diamond anvil cell (DAC). The main rule is found that during α-ω PT the crystallite size and dislocation density in ω-Zr depend solely on the volume fraction of ω-Zr and are independent of pressure, plastic strain tensor, its path, and initial nanostructure. Crystallite size in ω-Zr increases from 10 to 60 nm during the PT, while dislocation density reduces from 1.83 × 10<sup>15</sup>/m<sup>2</sup> to 0.6 × 10<sup>15</sup>/m<sup>2</sup>. Rough-DA produce a steady nanostructure in α-Zr before PT with smaller crystallite size and larger dislocation density than smooth-DA, leading to a reduction of the minimum pressure for α-ω PT to a record value 0.67 GPa, 9 times smaller than under hydrostatic loading and 5.1 times lower than the phase equilibrium pressure. In addition to strain, the kinetics of strain-induced PT unexpectedly depends on time. Also, strain-controlled part of kinetics is zero order, in contrast to the first-order kinetics with smooth-DA. The obtained results open a new window for understanding the mutual effects of nanostructure evolution and PT during severe plastic flow in various technological and natural processes. They may bring up economic strategies of producing nanocomposites and single-phase nanostructured materials with optimal properties.","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"7 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-05-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144083217","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
Thermally stable piezoelectric properties of lead-free ceramics featuring polar topological domains 具有极性拓扑结构域的无铅陶瓷的热稳定压电性能
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-05-18 DOI: 10.1016/j.actamat.2025.121152
Kaibiao Xi , Haoyu Wang , Shengchen Huang , Mupeng Zheng , Xiaoming Shi , Mankang Zhu , Yudong Hou
{"title":"Thermally stable piezoelectric properties of lead-free ceramics featuring polar topological domains","authors":"Kaibiao Xi ,&nbsp;Haoyu Wang ,&nbsp;Shengchen Huang ,&nbsp;Mupeng Zheng ,&nbsp;Xiaoming Shi ,&nbsp;Mankang Zhu ,&nbsp;Yudong Hou","doi":"10.1016/j.actamat.2025.121152","DOIUrl":"10.1016/j.actamat.2025.121152","url":null,"abstract":"<div><div>Environment-friendly lead-free piezoelectric materials with excellent piezoelectric characteristic and outstanding temperature stability play an important role in advanced functional applications. The past two decades have seen a great enhancement of piezoelectric coefficients (<em>d</em><sub>33</sub>) in (K, Na)NbO<sub>3</sub> based piezoceramics, but one notoriously unresolved issue is their severe temperature instability, obstructing them toward practical applications. This work proposes a novel strategy to optimize the thermal stability of KNN-based ceramics by constructing polar topological domains, which is driven by the competition between inhomogeneous polarization configuration in multiple symmetry phases accompanied by the local oxygen octahedral distortion, tilt and displacement. Thanks to the particular topological protection of polar topological domain with high density nanodomain walls, a superior temperature reliability (<em>d</em><sub>33</sub> decreased only by 10 % in the temperature range of 25–120 °C) was realized, and the cantilever beam-type piezoelectric energy harvester assembled using the optimized sample displayed excellent high temperature power generation capacity, demonstrating that modulating polar topological domains is an effective avenue to develop new high-performance functional material for practical engineering applications.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"294 ","pages":"Article 121152"},"PeriodicalIF":8.3,"publicationDate":"2025-05-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144087991","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
Random strains and strain glass transformations in NiTiHf and NiTiZr systems: An NMR study NiTiHf和NiTiZr体系中的随机应变和应变玻璃化:核磁共振研究
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-05-17 DOI: 10.1016/j.actamat.2025.121099
Rui Li , Serdar Torun , Jacob Santiago , Daniel Salas , Bibhu P. Sahu , Ibrahim Karaman , Joseph H. Ross Jr.
{"title":"Random strains and strain glass transformations in NiTiHf and NiTiZr systems: An NMR study","authors":"Rui Li ,&nbsp;Serdar Torun ,&nbsp;Jacob Santiago ,&nbsp;Daniel Salas ,&nbsp;Bibhu P. Sahu ,&nbsp;Ibrahim Karaman ,&nbsp;Joseph H. Ross Jr.","doi":"10.1016/j.actamat.2025.121099","DOIUrl":"10.1016/j.actamat.2025.121099","url":null,"abstract":"<div><div>In this study, we investigated Hf and Zr substituted nitinol shape memory alloys using Nuclear Magnetic Resonance (NMR) spectroscopy, focusing on alloys tuned by thermal processing for martensite-transforming and non-transforming behavior. Ni<sub>50.75</sub>Ti<sub>29.25</sub>Zr<sub>20</sub> and Ni<sub>50.3</sub>Ti<sub>29.7</sub>Hf<sub>20</sub> non-transforming samples were found to exhibit a glass transition, shown very clearly in NMR by the development of large random local strains, despite no evidence for transformation in X-ray crystallography or calorimetry. These non-transforming samples maintain electronic similarity to the B2 cubic phase, indicating that the strain nano-domains are not locally equivalent to martensite. Using NMR relaxation measurements as a highly sensitive probe into kHz and MHz scale dynamical strains, in a NiTiHf sample tuned for strain glass behavior we identified non-Vogel Fulcher dynamical behavior, with rapidly fluctuating local strains developing in the high temperature strain-liquid regime, accompanied by the gradual disappearance of quasi-static dynamics above and below the glass freezing point. Notably, the results also show a clear difference between the dynamical behavior of the strain glass and a NiTiZr non-transforming sample with greater defect density, which exhibits frozen random strain below a well-defined transformation point but without the appearance of any strain-glass dynamics. This demonstrates the possibility for defect driven nanodomain distortions with no strain-glass behavior. These findings highlight the ability of NMR as a powerful tool for investigating the dynamics and local structures in these materials.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"294 ","pages":"Article 121099"},"PeriodicalIF":8.3,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144067351","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
Superior electrostrain with excellent thermal stability by constructing glassy ferroelectric crossover 通过构造玻璃化铁电交叉,获得了具有优异热稳定性的优越电应变
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-05-17 DOI: 10.1016/j.actamat.2025.121153
Le Zhang , Liqiang He , Chenglong Zhang , Shuyuan Xu , Shurong Li , Zhibo Yang , Yang Zhang , Haijun Wu , Dong Wang , Sen Yang
{"title":"Superior electrostrain with excellent thermal stability by constructing glassy ferroelectric crossover","authors":"Le Zhang ,&nbsp;Liqiang He ,&nbsp;Chenglong Zhang ,&nbsp;Shuyuan Xu ,&nbsp;Shurong Li ,&nbsp;Zhibo Yang ,&nbsp;Yang Zhang ,&nbsp;Haijun Wu ,&nbsp;Dong Wang ,&nbsp;Sen Yang","doi":"10.1016/j.actamat.2025.121153","DOIUrl":"10.1016/j.actamat.2025.121153","url":null,"abstract":"<div><div>Simultaneous enhancement in both strain response and thermal stability has been a longstanding challenge in lead-free ferroelectrics due to the failure in stabilizing the microstructure features of large electrostrain over a wide temperature range, viewed as a considerable limitation for practical utility. In this work, a promising electrostrain of approximately 0.4 % with a fluctuation of &lt;5 % within the temperature range of 300–380 K is attained in the Ta-modified (Bi, Na)TiO<sub>3</sub>-BaTiO<sub>3</sub> ceramics through constructing a glassy ferroelectric crossover near the composition displaying the field-induced transitions from relaxor to coexistent rhombohedral+tetragonal ferroelectric phases of MPB (relaxor→MPB). It exceeds the electrostrain performance of neighboring compositions unilaterally displaying relaxor→MPB transition or pure glassy behavior when taking both electrostrain amplitude and thermal stability into consideration. Phase field simulation indicates that the combination of enhanced electrostrain and excellent thermal stability is ascribed to the embedding the nano-scaled glassy ferroelectric state within the MPB region of the relaxor→MPB composition, a feature enabled through introducing local fields by Ta-doping process. The optimal coexistence of micro and nano domain patterns in designed glassy ferroelectric crossover smears the microstructural difference between relaxor and MPB ferroelectric regions. It allows the easy and recoverable domain wall motion across a wide temperature range, resulting in the favorable electrostrain output with excellent thermal stability. This research proposes a novel strategy for improving thermal-stable electrostrain amplitude in eco-friendly ferroelectrics, thereby facilitating the advancement of lead-free piezoelectric technologies.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"294 ","pages":"Article 121153"},"PeriodicalIF":8.3,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144083247","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
Multiscale investigation of thermomechanical and compositional developments in Ni alloy 718 under laser processing 激光加工下718镍合金热力学和成分变化的多尺度研究
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-05-15 DOI: 10.1016/j.actamat.2025.121145
Seunghee Oh , Rachel Lim , Andrew Chihpin Chuang , Benjamin Gould , Ashley Bucsek , Anthony Rollett
{"title":"Multiscale investigation of thermomechanical and compositional developments in Ni alloy 718 under laser processing","authors":"Seunghee Oh ,&nbsp;Rachel Lim ,&nbsp;Andrew Chihpin Chuang ,&nbsp;Benjamin Gould ,&nbsp;Ashley Bucsek ,&nbsp;Anthony Rollett","doi":"10.1016/j.actamat.2025.121145","DOIUrl":"10.1016/j.actamat.2025.121145","url":null,"abstract":"<div><div>Laser processing has been widely employed in various applications due to its exceptional spatial resolution. However, the rapid temperature gradients generated in localized areas present significant challenges for experimental characterization using conventional instruments. To characterize Ni alloy 718 during laser processing, we employed in-situ synchrotron X-ray diffraction with a high-speed detector, a method particularly well-suited for probing processes with high temporal and spatial resolution. Through a series of in-situ experiments, we investigated the local variations in the evolution of microstructures and thermomechanical behaviors within a keyhole mode melt pool. The in situ macroscopic thermomechanical behaviors were quantified using an empirical model derived from diffraction patterns, with experimental results showing reasonable agreement with finite element analysis. Various laser parameters were tested to assess their influences on the residual strains in the melt pools. The results revealed that the residual strain in the keyhole mode melt pool is relatively insensitive to variations in the parameters and is smaller than that in the melt pool created under conduction mode laser scanning. Additionally, we analyzed the shapes of individual diffraction spots, providing insights into the plastic behaviors and compositional developments in the resolidified alloy. The analysis confirmed that compositional variations in a dendritic microstructure manifest as asymmetric broadening of the diffraction spots.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"294 ","pages":"Article 121145"},"PeriodicalIF":8.3,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143979999","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
Creep-induced elemental redistribution at grain boundaries of 304L stainless steel – An experimental evidence for diffusional creep mechanisms 蠕变诱导的304L不锈钢晶界元素重分布——扩散蠕变机制的实验证据
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-05-13 DOI: 10.1016/j.actamat.2025.121137
Boopathy Kombaiah , Sriswaroop Dasari , Chaitanya Bhave , Ninad Mohale , Advika Chesetti , Sourabh Bhagwan Kadambi
{"title":"Creep-induced elemental redistribution at grain boundaries of 304L stainless steel – An experimental evidence for diffusional creep mechanisms","authors":"Boopathy Kombaiah ,&nbsp;Sriswaroop Dasari ,&nbsp;Chaitanya Bhave ,&nbsp;Ninad Mohale ,&nbsp;Advika Chesetti ,&nbsp;Sourabh Bhagwan Kadambi","doi":"10.1016/j.actamat.2025.121137","DOIUrl":"10.1016/j.actamat.2025.121137","url":null,"abstract":"<div><div>Seventy-five years ago, Nabarro and Herring—and subsequently, Coble—theorized Newtonian diffusional creep mechanisms in crystalline materials. They postulated that the deformation rate is governed by the flow of atoms along the direction of applied stress via a vacancy-atom exchange mechanism under diffusional creep conditions. These theories render a compelling picture for materials scientists to design microstructures with improved creep resistance. However, they remain vigorously debated due to a dearth of direct experimental evidence and poor predictions of the observed creep rates in certain materials and conditions. In this paper, we tested the hypothesis that, in alloys undergoing diffusional creep, elemental redistribution would manifest at nearby grain boundaries if the diffusivities of the alloying elements were significantly different. Furthermore, the extent of elemental redistribution would vary depending on the orientation of the grain boundary with respect to the tensile loading axis. To this end, 304L stainless steel alloy tensile specimens were crept under relatively low applied stresses (2.5-15 MPa) at 750°C. Chemical composition at the grain boundaries in the deformed and undeformed sections of the specimen were then compared and the trends were rationalized using thermodynamic and kinetic modeling. In support of our hypothesis, the results revealed a notable change in the nature and extent of creep-induced elemental redistribution (CIER). Our experimental observations of CIER, complemented with modeling results, suggested the occurrence of Newtonian diffusional creep. Further mechanistic understanding of diffusional creep via characterization and modeling of CIER is expected to make the approach more viable and enable new pathways for designing advanced creep-resistant materials for extreme environments.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"294 ","pages":"Article 121137"},"PeriodicalIF":8.3,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143940140","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
Thermal activation and lattice misfit induced material degradation in a low alloy steel 低合金钢的热活化和晶格失配引起材料退化
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-05-13 DOI: 10.1016/j.actamat.2025.121136
Long Jin , Ming-Liang Zhu , Xiao-Long Li , Qing-Rong Xiong , Yu-Ke Liu , Fu-Zhen Xuan
{"title":"Thermal activation and lattice misfit induced material degradation in a low alloy steel","authors":"Long Jin ,&nbsp;Ming-Liang Zhu ,&nbsp;Xiao-Long Li ,&nbsp;Qing-Rong Xiong ,&nbsp;Yu-Ke Liu ,&nbsp;Fu-Zhen Xuan","doi":"10.1016/j.actamat.2025.121136","DOIUrl":"10.1016/j.actamat.2025.121136","url":null,"abstract":"<div><div>Carbides, one of the principal phases of material strengthening, are often associated with material properties. For low alloy steels in nuclear pressure vessels, carbide coarsening rate is often deemed as low or fixed and thermal aging happens only after a considerable period of time. However, the coarsening mechanism in this kind of material has yet been fully understood. Here we investigated the evolution of microstructure and cementite during thermal aging of a low alloy steel. The preferential growth direction of cementite was found to be determined by its innate lattice arrangement and misfit interfaces with the matrix, which was verified by first-principles calculations. A first-of-its-kind four-stage mechanism of cementite coarsening and transformation was proposed. We discovered carbide coarsening associated with material degradation is well represented by more difficult grain rotation and slip blocking, and average carbide length and upper shelf energy are linearly related. This work not only reveals the ever-believed aging-free low alloy steels are ageable, but empowers future design and handling of long-life materials.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"294 ","pages":"Article 121136"},"PeriodicalIF":8.3,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143945855","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
Spectral model for grain boundary segregation in systems with strong solute–solute interactions 溶质-溶质强相互作用体系中晶界偏析的光谱模型
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-05-13 DOI: 10.1016/j.actamat.2025.121044
Georgiy Marchiy, Dmitry Samsonov, Eugene Mukhin
{"title":"Spectral model for grain boundary segregation in systems with strong solute–solute interactions","authors":"Georgiy Marchiy,&nbsp;Dmitry Samsonov,&nbsp;Eugene Mukhin","doi":"10.1016/j.actamat.2025.121044","DOIUrl":"10.1016/j.actamat.2025.121044","url":null,"abstract":"<div><div>Solute segregation at grain boundaries is emerging as a promising tool for the stabilization of polycrystals against grain growth. Modern approaches to segregation modeling are based on employing atomistic grain boundary segregation spectra. Currently, there is no spectral model that accounts for solute–solute interactions beyond the random mixing approximation. The paper shows that such interactions are crucial for the Ag(Ni) system, which is the focus of this study. We derive the Gibbs free energy for a spectral model of grain boundary segregation that properly captures solute–solute interactions strong enough to violate the random mixing assumption. Strong attractive interactions have been shown to be independent of solute concentration and can be directly incorporated into the segregation spectrum. Moreover, at zero temperature, all types of solute–solute interactions can be incorporated into the segregation spectrum, allowing the calculation of zero-temperature stability scores with regard to solute–solute interactions. This may enhance the reliability of screening for stable nanocrystalline alloys. Finally, the model incorporating solute–solute interactions into the segregation spectrum has been shown to provide a reliable approximation for systems exhibiting strong solute–solute interactions, even at moderate temperatures.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"294 ","pages":"Article 121044"},"PeriodicalIF":8.3,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143945852","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
Mechanical properties of compositionally modulated epitaxial VN(001)/VC(001) films 组成调制外延VN(001)/VC(001)薄膜的力学性能
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-05-12 DOI: 10.1016/j.actamat.2025.121135
Moishe Y.E. Azoff-Slifstein , Anshuman Thakral , Sadiq S. Nishat , Md. Rafiqul Islam , Patrick E. Hopkins , Daniel Gall
{"title":"Mechanical properties of compositionally modulated epitaxial VN(001)/VC(001) films","authors":"Moishe Y.E. Azoff-Slifstein ,&nbsp;Anshuman Thakral ,&nbsp;Sadiq S. Nishat ,&nbsp;Md. Rafiqul Islam ,&nbsp;Patrick E. Hopkins ,&nbsp;Daniel Gall","doi":"10.1016/j.actamat.2025.121135","DOIUrl":"10.1016/j.actamat.2025.121135","url":null,"abstract":"<div><div>Epitaxial 1.5-μm-thick VN(001) and VC(001) films are deposited on MgO(001) by reactive magnetron sputtering in Ar/N<sub>2</sub> and Ar/CH<sub>4</sub> gas mixtures at <em>T<sub>s</sub></em> = 1000 °C, respectively. Cyclic switching between the Ar/N<sub>2</sub> and Ar/CH<sub>4</sub> gas yields compositionally modulated vanadium nitride/carbide films which exhibit a single-crystal epitaxial rock-salt structure matrix but also contain misoriented grains resulting in strongly facetted triangular 375–500 nm wide surface protrusions. The gas switching is adjusted to obtain films containing nominally identical amounts of VN and VC and various modulation periods Λ = 1.9 - 30 nm. They exhibit a stoichiometric anion-to-cation ratio but contain more carbon than nitrogen, suggesting that surface carbon reduces the N<sub>2</sub> sticking coefficient and the nitrogen incorporation rate. X-ray diffraction <em>θ</em>-2<em>θ</em> scans and reciprocal space maps indicate an in-plane compressive strain that decreases from -0.4 % to -0.1 % with increasing Λ, and a slightly decreasing relaxed lattice constant <em>a</em><sub>o</sub> = 4.160 - 4.155 Å. Hardness and elastic moduli measured by nanoindentation are <em>H</em><sub>VN</sub> = 5.1 GPa and <em>E</em><sub>VN</sub> = 226 GPa for VN(001), and <em>H</em><sub>VC</sub> = 19.4 GPa and <em>E</em><sub>VC</sub> = 323 GPa for VC(001). The hardness decreases from <em>H</em> = 16.4 – 11.1 GPa with increasing Λ = 1.9 - 30 nm, while the measured <em>E</em> = 260 ± 20 GPa is independent of Λ. Both <em>H</em> and <em>E</em> values are close to the theoretical isostress rule of mixtures (ROM) prediction, revealing that the modulated VN/VC films exhibit no hardness enhancement. This suggests that neither nitrogen-carbon intermixing nor composition modulation results in dislocation pinning during mechanical deformation. This is attributed to the relatively small 0.8 % VN/VC lattice mismatch which results in negligible local strain variations or coherency strains.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"294 ","pages":"Article 121135"},"PeriodicalIF":8.3,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143940141","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
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