Acta Materialia最新文献

{"title":"Color-coding real-time detection for the health of lithium-ion batteries","authors":"Yuanhui Su ,&nbsp;Yu Huan ,&nbsp;Wang Liu ,&nbsp;Mengyue Ma ,&nbsp;Jinkai Li ,&nbsp;Tao Wei ,&nbsp;Yunhui Huang ,&nbsp;Kevin Huang","doi":"10.1016/j.actamat.2024.120562","DOIUrl":"10.1016/j.actamat.2024.120562","url":null,"abstract":"<div><div>Lithium-ion batteries (LIBs) are pivotal energy devices in our daily lives, yet ensuring the quality and health of LIBs throughout their manufacturing and application processes remains a significant challenge. Here we propose a universal “color-coding” technique to indicate the health of LIBs, by which specific property characteristic and evolution inside LIBs can be unfolded. By defining the standard color coding for the entire manufacturing and application processes of LIBs, we show the change in material characteristics during various processes can be described by variations in standard color coding. Therefore, by establishing a universal color-property database, the proposed “color-coding” method has potential to be used as a practical tool to ensure the quality of materials and healthy operation of batteries.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"283 ","pages":"Article 120562"},"PeriodicalIF":8.3,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142637721","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":"Phase-Field Modeling of Thermally-Grown Oxide and Damage Evolution in Environmental Barrier Coatings","authors":"Tian-Le Cheng, Fei Xue, Yinkai Lei, Richard P. Oleksak, Ömer N. Doğan, You-Hai Wen","doi":"10.1016/j.actamat.2024.120571","DOIUrl":"https://doi.org/10.1016/j.actamat.2024.120571","url":null,"abstract":"Silicon carbide-based ceramic matrix composites protected by environmental barrier coatings (EBCs) present a promising materials solution for next-generation gas turbines. Developming more robust and efficient EBCs is therefore of significant technological importance. During the service in high-temperature oxidative environments, there is a thermally grown oxide (TGO) layer, spontaneously formed in the EBC system. TGO is recognized as a critical factor for the degradation and failure of EBCs, yet the detailed mechanisms of TGO growth and its effect on EBC failure remain unclear. In this study we develop a comprehensive chemo-mechano-phase-field model to simulate growth of the TGO in EBCs, factoring in creep and deformation, and especially the cracking behaviors. The volume expansion due to TGO growth and the resulting large inelastic deformation are addressed by using our recently developed, so-called incremental realization of inelastic deformation (IRID) algorithm, in combination with an adapted Hu-Chen spectral solver for elasticity. Simulations of TGO growth are performed considering different growth modes of TGOs determined mainly by the ratio of oxidant permeability in the topcoat to that in the TGO itself. Large-scale three-dimensional (3D) simulations are performed to model the formation of interconnecting vertical/channel cracks (often called ‘mud cracks’). The simulated crack morphology are in excellent agreement with the experimental observations from the literature. The simulations also provide insights into the cracking of EBCs and its dependence on the structure and constituent properties of the coating system. These results demonstrate the developed damage model can be a useful tool for design of more durable EBCs.","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"21 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142642572","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":"Stress delocalization by grain boundaries densified in microsized alloying particles for advanced sodium storage","authors":"Chunyi Xu ,&nbsp;Song Sun ,&nbsp;Jinhui Zhao ,&nbsp;Xin Zhang ,&nbsp;Xiaolei Feng ,&nbsp;Simon A.T. Redfern ,&nbsp;Chaoqun Xia ,&nbsp;Huiyang Gou ,&nbsp;Gongkai Wang","doi":"10.1016/j.actamat.2024.120570","DOIUrl":"10.1016/j.actamat.2024.120570","url":null,"abstract":"<div><div>Microsized alloying anodes are the next practical step in achieving advanced batteries with higher energy density, yet the major challenge, associated with their alloying processing, lies in electro-mechanical failure phenomena caused by stress concentration. Here, we develop a universal grain boundaries (GBs) strategy on microsized alloying anodes for sodium ion batteries. The densified GBs function as fast diffusion paths to promote more homogenous sodiation. They facilitate consistent sodiation kinetics by stress transportation and delocalization, leading to electrochemical attributes superior to reported nanosized anodes (microsized Bi as a model, 200.5 mAh/[email protected], 1043.1 mAh/cm³@40C, high tap density of ∼2.4 g/cm³). Furthermore, GBs also act as dislocation catchers and barriers, significantly altering the sodiation behavior and subsequent structural evolution, and giving rise to enhanced fracture resistance and cycling stability. This work provides the key insight into GB-associated effects in microsized anodes on electro-mechanical coupling process, essential for development of advanced batteries.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"283 ","pages":"Article 120570"},"PeriodicalIF":8.3,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142610256","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":"Interfacial boron segregation in a high-Mn and high-Al multiphase lightweight steel","authors":"Xizhen Dong ,&nbsp;Aparna Saksena ,&nbsp;Ali Tehranchi ,&nbsp;Baptiste Gault ,&nbsp;Dirk Ponge ,&nbsp;Binhan Sun ,&nbsp;Dierk Raabe","doi":"10.1016/j.actamat.2024.120568","DOIUrl":"10.1016/j.actamat.2024.120568","url":null,"abstract":"<div><div>Interface segregation affects the microstructure evolution and mechanical properties of alloys, including strength, ductility and damage tolerance. This is particularly true for multiphase high-strength steels containing multiple types of interfaces whose characteristics are key factors influencing the steels’ mechanical performance. The different tendencies of solute segregation to different types of interfaces can lead to complex segregation behavior, which needs to be understood. Here, we focus on the segregation behavior of B in a high-Mn, high-Al lightweight steel with a two-phase austenite-ferrite microstructure. We find distinct B segregation at both austenite and ferrite grain boundaries as well as at austenite-ferrite phase boundaries after high temperature annealing (1100°C) and fast quenching. The segregation process is governed by local equilibrium between bulk and interfaces as discussed in terms of thermodynamic and <em>ab initio</em> calculations. Our findings reveal a dependence of B segregation on the interface structure regardless of the adjacent phases, which can be explained in terms of respective interfacial energy in accord with the Gibbs adsorption isotherm. In addition, co-segregation of B and C is observed at both high-angle and low-angle ferrite grain boundaries due to the attractive interaction between the two solutes in the bulk ferrite phase. In contrast, for austenite grain boundaries, C depletion is observed owing to its site competition effect and repulsive interaction with B in austenite. These observations help to guide interface segregation engineering in complex multiphase lightweight steels to improve their mechanical performance.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"283 ","pages":"Article 120568"},"PeriodicalIF":8.3,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142610251","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":"Electric current-induced solid-state crack healing and life extension","authors":"Swanand Telpande ,&nbsp;Chandan Kumar ,&nbsp;Deepak Sharma ,&nbsp;Praveen Kumar","doi":"10.1016/j.actamat.2024.120573","DOIUrl":"10.1016/j.actamat.2024.120573","url":null,"abstract":"<div><div>This study demonstrates the complete closure of a crack and subsequent materials healing via a solid-state process upon application of high-density electric current pulses. This novel method leverages the simultaneous generation of a high-temperature field near the crack tip, a compressive stress zone induced by temperature gradients, and a significant electromagnetic force acting in Mode I, all arising from the flow of electric current around the crack. Finite element-based analysis is employed to optimize the process parameters, ensuring the dominance of the compressive stress field over the tensile electromagnetic force near the crack tip. Conjugate experiments demonstrate that fatigue-induced edge cracks in a metallic material (e.g., SS 316) can be fully healed by applying electric current pulses with extended pulse-width (e.g., 200 ms) and high densities (e.g., 10⁶⁻10⁸ A/m²). Detailed microstructural analysis of the healed region reveals micro-void-free complete bonding between the crack faces, characterized by a narrow strip (&lt;100 μm width) featuring small, recrystallized grains. The observed boundary migration, entrapment of cavities inside grains, and partial alignment of dislocation substructures across the original crack confirm the solid-state diffusion bonding responsible for the materials healing. The yield strength, ductility and fatigue life of the “healed” material are commendable and can be significantly improved to mimic those of as-received material after solutionizing heat treatment. Overall, this study introduces a novel method for controlled crack closure and materials healing in in-service components, offering the potential to extend their operational life significantly.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"283 ","pages":"Article 120573"},"PeriodicalIF":8.3,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142610252","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":"Achieving superior ductility with ultrahigh strength via deformation and strain hardening in the non-recrystallized regions of the heterogeneous-structured high-entropy alloy","authors":"Hongchao Li ,&nbsp;Jun Wang ,&nbsp;Wenyuan Zhang ,&nbsp;Jiawang Zhao ,&nbsp;Jinshan Li ,&nbsp;M.W. Fu","doi":"10.1016/j.actamat.2024.120572","DOIUrl":"10.1016/j.actamat.2024.120572","url":null,"abstract":"<div><div>Developing metallic structural materials with ultrahigh strength and exceptional ductility remains a significant challenge due to the trade-off between both properties. This study presents a heterogeneous-structured high-entropy alloy achieving a superior combination of strength and ductility compared to the reported heterogeneous-structured high entropy alloys through deformation and strain hardening in the non-recrystallized regions. The cold rolling followed by annealing at 760 °C resulted in a heterogeneous microstructure consisting of a small fraction of ultrafine recrystallized grains and extensive non-recrystallized regions, with a significant amount of L1₂ precipitates throughout the alloy. The architected microstructure led to a significant enhancement of yield strength through mechanisms including dislocation strengthening, L1₂ strengthening, and grain boundary strengthening. During the deformation, the non-recrystallized regions accommodated substantial strain through the reactivation of pre-existing deformation bands and the synergistic deformation of the FCC and L1₂ phases, thereby markedly enhancing ductility. Moreover, the metastable FCC matrix underwent FCC→BCC phase transformation, leading to the formation of numerous short-range BCC domains, which further contributed to the pronounced strain hardening. Consequently, the alloy annealing at 760 °C achieved a yield strength of 1.73 GPa, an ultimate strength of 2.05 GPa, and an elongation of 21.0 %. This study underscores a novel strategy for the concurrent enhancement of strength and ductility and provides valuable insights for the design of high-performance alloys.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"283 ","pages":"Article 120572"},"PeriodicalIF":8.3,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142637682","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":"Creep and failure at metal-oxide interfaces","authors":"Shen J. Dillon ,&nbsp;Ryan M. Schoell ,&nbsp;Andrew Wright ,&nbsp;Jian Luo ,&nbsp;Eugen Rabkin ,&nbsp;Khalid Hattar","doi":"10.1016/j.actamat.2024.120563","DOIUrl":"10.1016/j.actamat.2024.120563","url":null,"abstract":"<div><div>Small-scale bicrystal creep experiments were performed on contacts formed via <em>in situ</em> high-temperature diffusion bonding of metal-oxide interfaces including Ag-ZrO₂, Pd-ZrO₂, Pt-ZrO₂, and Ag-high entropy oxide_. This work characterizes deformation and failure at metal-oxide interfaces during mechanical loading. Interfacial sliding can be activated easily, while tensile interfacial creep was not observed at any condition of stress or temperature measured. Plastic strain, instead, localizes within the metal under tensile loading. A variety of mechanisms for plastic strain occur in the metal including lattice dislocation-mediated plasticity, twinning, low-angle grain boundary formation, and low-angle grain boundary creep. Surface and low-angle grain boundary diffusion occur under conditions where no metal-oxide tensile creep is observed, highlighting the significant differences in their interfacial mechanical response. High-temperature interfacial failure occurs when the mean curvature at the contact neck is approximately zero and the applied stresses comparable to brittle fracture stresses. The brittle fracture stresses were measured to be <span><math><mrow><msub><mi>σ</mi><mi>f</mi></msub><mo>=</mo><mn>180</mn><mo>±</mo><mn>90</mn><mspace></mspace><mi>M</mi><mi>P</mi><mi>a</mi></mrow></math></span> at the Ag-ZrO₂ interface at <span><math><mrow><mn>225</mn><msup><mspace></mspace><mo>∘</mo></msup><mi>C</mi></mrow></math></span>, <span><math><mrow><msub><mi>σ</mi><mi>f</mi></msub><mo>=</mo><mn>460</mn><mo>±</mo><mn>160</mn><mspace></mspace><mi>M</mi><mi>P</mi><mi>a</mi></mrow></math></span> at the Pd-ZrO₂ interface at <span><math><mrow><mn>680</mn><msup><mspace></mspace><mo>∘</mo></msup><mi>C</mi></mrow></math></span>, and <span><math><mrow><msub><mi>σ</mi><mi>f</mi></msub><mo>=</mo><mn>640</mn><mo>±</mo><mn>440</mn><mi>M</mi><mi>P</mi><mi>a</mi></mrow></math></span> at the Pt-ZrO₂ interface at <span><math><mrow><mn>1010</mn><msup><mspace></mspace><mo>∘</mo></msup><mi>C</mi></mrow></math></span>.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"283 ","pages":"Article 120563"},"PeriodicalIF":8.3,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142703340","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":"Advancing the thermodynamic modeling of multicomponent phases in hydrogen-para-equilibrium","authors":"Peter Hannappel, Felix Heubner, Mateusz Balcerzak, Thomas Weißgärber","doi":"10.1016/j.actamat.2024.120529","DOIUrl":"https://doi.org/10.1016/j.actamat.2024.120529","url":null,"abstract":"We present an advanced approach for the thermodynamic modeling of metal hydrides within the Calculation of Phase Diagrams (CALPHAD) framework. As the traditional CALPHAD method requires significant and time-consuming manual input, often introducing biases into the assessment process, we present a novel solution to automate this. The core of our approach is the development of an open-source, Python-based computational tool designed to calculate para-equilibrium states in hydrogen-multicomponent phases. This tool facilitates a semi-automatic pathway to enhance the CALPHAD evaluation procedure, significantly reducing manual input. We validated our approach by rapidly assessing the (Ce,La)Ni₅–H system, a representative material system with significant implications for metal hydride-based hydrogen applications. Our method confirms existing data and reveals new insights into this system’s sorption properties and phase behavior. Using our Python-based tool to optimize parameter sets and calculate Pressure-Composition-Isotherms (PCI), we demonstrate the feasibility of predicting temperature-dependent plateau pressures and hydrogen capacities of multicomponent metal hydrides. This work holds significant potential for future applications in designing hydrogen storage materials, predicting their properties, and extending the methodology to other metal hydride systems.","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"41 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142599806","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":"Stress-driven triple junction reconstruction facilitates cooperative grain boundary deformation","authors":"Yingbin Chen ,&nbsp;Qi Zhu ,&nbsp;Jian Han ,&nbsp;Tianlin Huang ,&nbsp;Ze Zhang ,&nbsp;Jiangwei Wang","doi":"10.1016/j.actamat.2024.120565","DOIUrl":"10.1016/j.actamat.2024.120565","url":null,"abstract":"<div><div>Triple junctions (TJs), essential components linking neighboring grain boundaries (GBs), are of great significance for the deformation of entire GB networks in polycrystalline materials. However, kinetic behaviors of TJs and their coupling with GB plasticity remain largely unexplored, especially at atomic scale. Using atomistic <em>in situ</em> nanomechanical testing, we reveal a regime of dynamic TJ reconstruction for accommodating the coordinated deformation of GB network in gold and platinum polycrystals, proceeding through different modes of structural transformations, including disordered atomic arrangement, subgrain, dense stacking faults, and nanotwins. Such TJ reconstruction preferentially nucleates at TJs predicted with strong dragging effect, which serves as an effective route to facilitate the cooperative motion of neighboring GBs, in contrast to the widely-believed TJ deformation in steady state. This reconstruction-coordinated TJ kinetics provides novel insights into complicated GB network evolution and calls for a revisit of TJ roles in polycrystalline materials.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"283 ","pages":"Article 120565"},"PeriodicalIF":8.3,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142703895","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":"Structural relevance among nano-phases along the common habit planes {111} and its implications for the design of cross-over Al alloys","authors":"Zhengqing Liu ,&nbsp;Peipei Ma ,&nbsp;Yong Jiang ,&nbsp;Fuhua Cao ,&nbsp;Yong Zhang ,&nbsp;Chunhui Liu","doi":"10.1016/j.actamat.2024.120535","DOIUrl":"10.1016/j.actamat.2024.120535","url":null,"abstract":"<div><div>Ω, T₁, Y, η' and η nano-phases in different series Al alloys are known to all precipitate along the major slip planes {111}_Al. Their precipitation in multi-element cross-over Al alloys could thus be very intricate. In this work, atomic resolution HAADF-STEM and first-principles calculations were combined to comprehensively investigate their atomic structures and energetics in a set of model Al alloys. Our results revealed that they all tend to initially form a 2D layered structure consisting of an isostructural (Al,Cu) O-unit along the {111}, and that their further evolution sensitively depends on alloy composition. Alloying with Mg and/or Ag stabilizes the O-units to form a single-layer Ω (SL-Ω or Ω') in Al-Cu-Mg(-Ag) alloys. Alloying with Li stabilizes O-units to form SL-T₁ in Al-Cu-Li alloys. Alloying with Mg and Zn stabilizes O-units to form SL-Y in Al-Zn-Mg-Cu alloys. For cross-over Al alloys with a low Mg+Zn and low Li content, O-units would grow into O-O pairs to induce the SL-Ω (Ω') → multi-layer (ML)-Ω transformation. Increasing the Li content helps SL-T₁ grow continuously or transform into ML-T₁ with an O-O'-O stacking. Both mechanisms take actions to suppress ML-Ω. For cross-over Al alloys with high Mg+Zn content, O-units grow into O-R pairs and further into R-R⁻¹ pairs, inducing the transformation of SL-Ω/T₁/Y → η' → η in strong preference over Ω and T₁ in Al-Zn-Mg-Cu(-Ag)(-Li) alloys. These results can fundamentally explain diverse experimental observations and provide many profound perspectives on the competitive precipitation in cross-over Al alloys.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"283 ","pages":"Article 120535"},"PeriodicalIF":8.3,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657927","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}