Pub Date : 2026-01-02DOI: 10.1016/j.matdes.2026.115438
Banglei Zhao , Le Wang , Jianwei Chen , Xianyu Li
Ti-6Al-1Cr-2Mo-1V (Ti-6121) is a recently developed titanium alloy with exceptional mechanical properties, making it a promising candidate for aerospace and armor applications. However, the mechanistic understanding of how solution temperature governs phase evolution and mechanical properties remains limited. In this study, we systematically investigate the effect of solution temperature (800–1000 °C) on the microstructure and tensile properties of hot-rolled Ti-6121 alloy subjected to subsequent aging at 550 °C for 6 h. Microstructural characterization reveals that increasing the solution temperature reduces the volume fraction of primary α (αP) phase and promotes β → α’ martensitic transformation above 900 °C. Aging thereafter leads to the precipitation of abundant secondary α (αS) phases. Tensile tests demonstrate that strength increases with solution temperature, while ductility declines. Notably, the alloy solution-treated at 900 °C for 1 h and aged at 550 °C for 6 h achieves an optimal strength–ductility balance, with an ultimate tensile strength of ∼1387 MPa and an elongation of ∼11 %. This superior performance is attributed to the synergistic effects of hierarchically distributed αP phases, nanoscale αS precipitates, and high dislocation density. Our findings provide new insights into the heat treatment-microstructure-property relationships in Ti-6121 alloy, facilitating its development as a high-performance structural material.
{"title":"Achieving an optimal combination of strength and ductility of a hot-rolled Ti-6121 alloy by tuning solution temperature","authors":"Banglei Zhao , Le Wang , Jianwei Chen , Xianyu Li","doi":"10.1016/j.matdes.2026.115438","DOIUrl":"10.1016/j.matdes.2026.115438","url":null,"abstract":"<div><div>Ti-6Al-1Cr-2Mo-1V (Ti-6121) is a recently developed titanium alloy with exceptional mechanical properties, making it a promising candidate for aerospace and armor applications. However, the mechanistic understanding of how solution temperature governs phase evolution and mechanical properties remains limited. In this study, we systematically investigate the effect of solution temperature (800–1000 °C) on the microstructure and tensile properties of hot-rolled Ti-6121 alloy subjected to subsequent aging at 550 °C for 6 h. Microstructural characterization reveals that increasing the solution temperature reduces the volume fraction of primary α (α<sub>P</sub>) phase and promotes β → α’ martensitic transformation above 900 °C. Aging thereafter leads to the precipitation of abundant secondary α (α<sub>S</sub>) phases. Tensile tests demonstrate that strength increases with solution temperature, while ductility declines. Notably, the alloy solution-treated at 900 °C for 1 h and aged at 550 °C for 6 h achieves an optimal strength–ductility balance, with an ultimate tensile strength of ∼1387 MPa and an elongation of ∼11 %. This superior performance is attributed to the synergistic effects of hierarchically distributed α<sub>P</sub> phases, nanoscale α<sub>S</sub> precipitates, and high dislocation density. Our findings provide new insights into the heat treatment-microstructure-property relationships in Ti-6121 alloy, facilitating its development as a high-performance structural material.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"262 ","pages":"Article 115438"},"PeriodicalIF":7.9,"publicationDate":"2026-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145940668","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}
Pub Date : 2026-01-02DOI: 10.1016/j.matdes.2026.115435
J. Jefferson Andrew , Jabir Ubaid , Chanaka Sandaruwan , Shanavas Shajahan , Yarjan Abdul Samad , Wesley J. Cantwell , Kamran A. Khan , Rehan Umer
Graphene and related materials (GRMs) offer promising routes to enhance energy absorption in composites. This study investigates the morphological influence of two expanded graphite (EG) types i.e. nano-engineered worm-like EG (EG-W), and compact EG (EG-C) on microstructure, low-velocity impact, and thermomechanical performance used within recyclable liquid thermoplastic (Elium®) and carbon fiber composites (CF/Elium®). SEM, Raman, and XPS analyses reveal that EG-W’s higher aspect ratio, interconnected morphology, and balanced surface chemistry provide superior dispersion and load-transfer capability compared to EG-C, despite the latter’s higher oxygen functional content. Raman spectroscopy and 2D mapping further confirm notable differences in defect density, exfoliation, and spatial distribution across filler loadings (0–1.5 wt%). EG-W exhibits lower structural disorder () and improved exfoliation (), promoting uniform integration into the polymer matrix. Low-velocity impact tests (5–20 J) demonstrates that an optimal loading of 0.5 wt%, EG-W enhances peak force and energy absorption by 16.6 % and 18.9 %, respectively, compared to EG-C. At higher loadings (1–1.5 wt%), both systems exhibit reduced performance due to nanoparticle agglomeration. These findings highlight the critical role of EG morphology and concentration in tailoring impact resistance, enabling design of advanced recyclable composites for high-performance structural applications.
{"title":"Morphological design of nano-engineered expanded graphite for enhanced dynamic energy absorption in liquid thermoplastic/CF composites","authors":"J. Jefferson Andrew , Jabir Ubaid , Chanaka Sandaruwan , Shanavas Shajahan , Yarjan Abdul Samad , Wesley J. Cantwell , Kamran A. Khan , Rehan Umer","doi":"10.1016/j.matdes.2026.115435","DOIUrl":"10.1016/j.matdes.2026.115435","url":null,"abstract":"<div><div>Graphene and related materials (GRMs) offer promising routes to enhance energy absorption in composites. This study investigates the morphological influence of two expanded graphite (EG) types i.e. nano-engineered worm-like EG (EG-W), and compact EG (EG-C) on microstructure, low-velocity impact, and thermomechanical performance used within recyclable liquid thermoplastic (Elium®) and carbon fiber composites (CF/Elium®). SEM, Raman, and XPS analyses reveal that EG-W’s higher aspect ratio, interconnected morphology, and balanced surface chemistry provide superior dispersion and load-transfer capability compared to EG-C, despite the latter’s higher oxygen functional content. Raman spectroscopy and 2D mapping further confirm notable differences in defect density, exfoliation, and spatial distribution across filler loadings (0–1.5 wt%). EG-W exhibits lower structural disorder (<span><math><mrow><msub><mi>I</mi><mi>D</mi></msub><mo>/</mo><msub><mi>I</mi><mi>G</mi></msub><mo>=</mo><mn>0.06</mn></mrow></math></span>) and improved exfoliation (<span><math><mrow><msub><mi>I</mi><mrow><mn>2</mn><mi>D</mi></mrow></msub><mo>/</mo><msub><mi>I</mi><mi>D</mi></msub><mo>=</mo><mn>9.1</mn></mrow></math></span>), promoting uniform integration into the polymer matrix. Low-velocity impact tests (5–20 J) demonstrates that an optimal loading of 0.5 wt%, EG-W enhances peak force and energy absorption by 16.6 % and 18.9 %, respectively, compared to EG-C. At higher loadings (1–1.5 wt%), both systems exhibit reduced performance due to nanoparticle agglomeration. These findings highlight the critical role of EG morphology and concentration in tailoring impact resistance, enabling design of advanced recyclable composites for high-performance structural applications.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"262 ","pages":"Article 115435"},"PeriodicalIF":7.9,"publicationDate":"2026-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145898111","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}
Pub Date : 2026-01-02DOI: 10.1016/j.matdes.2026.115431
Fuyuan Liu , Yitian Shao , Min Chen
Additive manufacturing (AM) enables the creation of architected lattices with unprecedented geometric freedom, fundamentally expanding the boundaries of modern design. This review positions generative design (GD) as a process-aware and human-in-the-loop framework for exploring high-dimensional design spaces under coupled functional requirements and manufacturable constraints. We define a unified architecture that integrates geometry generation, performance evaluation, and cross-scale optimization, spanning from unit-cell design to the integration of conformal and graded lattice structures.
The review highlights two complementary directions: i) physical model-based methods, which offer interpretable, constraint-faithful guidance from unit-cell archetypes (strut-, plate-, and TPMS-based) to graded or conformal layouts through topology optimization, stress-driven grading, and conformal methods; and ii) data-driven methods, which extend design coverage and accelerate iteration by learning latent geometry-performance relationships for inverse and multi-objective design. We specifically examine how AI-enabled generators, when combined with physics-informed evaluators, can reduce design iteration time by orders of magnitude while simultaneously preserving printability and structural reliability.
Importantly, this review synthesizes AM process-specific generative strategies, emphasizing the explicit embedding of process physics and manufacturing constraints for modalities such as powder bed fusion and vat photopolymerization. Finally, emerging directions in scalable multiscale modeling, uncertainty-aware design, and hybrid physics-informed data-driven frameworks are outlined, pointing toward verifiable and industry-ready generative design methodologies.
{"title":"Generative design strategies for additive manufacturing of lattice structures: A review","authors":"Fuyuan Liu , Yitian Shao , Min Chen","doi":"10.1016/j.matdes.2026.115431","DOIUrl":"10.1016/j.matdes.2026.115431","url":null,"abstract":"<div><div>Additive manufacturing (AM) enables the creation of architected lattices with unprecedented geometric freedom, fundamentally expanding the boundaries of modern design. This review positions generative design (GD) as a process-aware and human-in-the-loop framework for exploring high-dimensional design spaces under coupled functional requirements and manufacturable constraints. We define a unified architecture that integrates geometry generation, performance evaluation, and cross-scale optimization, spanning from unit-cell design to the integration of conformal and graded lattice structures.</div><div>The review highlights two complementary directions: i) physical model-based methods, which offer interpretable, constraint-faithful guidance from unit-cell archetypes (strut-, plate-, and TPMS-based) to graded or conformal layouts through topology optimization, stress-driven grading, and conformal methods; and ii) data-driven methods, which extend design coverage and accelerate iteration by learning latent geometry-performance relationships for inverse and multi-objective design. We specifically examine how AI-enabled generators, when combined with physics-informed evaluators, can reduce design iteration time by orders of magnitude while simultaneously preserving printability and structural reliability.</div><div>Importantly, this review synthesizes AM process-specific generative strategies, emphasizing the explicit embedding of process physics and manufacturing constraints for modalities such as powder bed fusion and vat photopolymerization. Finally, emerging directions in scalable multiscale modeling, uncertainty-aware design, and hybrid physics-informed data-driven frameworks are outlined, pointing toward verifiable and industry-ready generative design methodologies.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"262 ","pages":"Article 115431"},"PeriodicalIF":7.9,"publicationDate":"2026-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145974507","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}
Pub Date : 2026-01-01DOI: 10.1016/j.matdes.2025.115375
Kegu Lu , Yadong Zhou , Gerrit Klaseboer , Redmer van Tijum , Soheil Solhjoo , Maysam Naghinejad , Yutao Pei , Jan Post
Heat treatment of metallic components, while crucial for achieving desired material properties, often induces shape changes that compromise dimensional accuracy. For components manufactured from AISI 420 sheet, this shape change is minor yet critical, presenting significant challenges for experimental measurement and parametric investigation. This work develops and validates a finite element-based constitutive model suite to not only predict this phenomenon but also to design a novel multistage forming process that deliberately amplifies the shape change for measurability. The model, which incorporates mechanical and thermal effects, was implemented in a staged workflow preserving state variables across simulations. Validation against an existing process demonstrated excellent agreement in predicting both earing and annealing-induced shape change. Subsequently, this validated model was employed to design a new process. Among five tooling variants assessed, the optimized design successfully amplifies the shape change to 47.3 µm, a tenfold increase over an existing process. Our analysis reveals that shape change is governed by the magnitude and components of residual stress in conjunction with product geometry. This study contributes a validated constitutive model suite, a systematic workflow for FEM-based process design, and a novel multistage forming process engineered to amplify annealing-induced shape change and enhance measurability.
{"title":"A validated finite element model for designing a multistage forming process to enhance annealing-induced shape change in AISI 420 sheet","authors":"Kegu Lu , Yadong Zhou , Gerrit Klaseboer , Redmer van Tijum , Soheil Solhjoo , Maysam Naghinejad , Yutao Pei , Jan Post","doi":"10.1016/j.matdes.2025.115375","DOIUrl":"10.1016/j.matdes.2025.115375","url":null,"abstract":"<div><div>Heat treatment of metallic components, while crucial for achieving desired material properties, often induces shape changes that compromise dimensional accuracy. For components manufactured from AISI 420 sheet, this shape change is minor yet critical, presenting significant challenges for experimental measurement and parametric investigation. This work develops and validates a finite element-based constitutive model suite to not only predict this phenomenon but also to design a novel multistage forming process that deliberately amplifies the shape change for measurability. The model, which incorporates mechanical and thermal effects, was implemented in a staged workflow preserving state variables across simulations. Validation against an existing process demonstrated excellent agreement in predicting both earing and annealing-induced shape change. Subsequently, this validated model was employed to design a new process. Among five tooling variants assessed, the optimized design successfully amplifies the shape change to 47.3 µm, a tenfold increase over an existing process. Our analysis reveals that shape change is governed by the magnitude and components of residual stress in conjunction with product geometry. This study contributes a validated constitutive model suite, a systematic workflow for FEM-based process design, and a novel multistage forming process engineered to amplify annealing-induced shape change and enhance measurability.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"261 ","pages":"Article 115375"},"PeriodicalIF":7.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939439","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}
Pub Date : 2026-01-01DOI: 10.1016/j.matdes.2025.115378
Randi Swanson , Michael Chapman , Yue Zhou , Ashley Hilmas , Lisa Rueschhoff , Michael Uchic , William G. Fahrenholtz , Scott J. McCormack
Understanding and controlling the grain structure of ZrB2 is critical for optimizing its mechanical and thermal performance in high-temperature applications. Fully dense ZrB2, densified by hot pressing at 2150˚C and 32 MPa, was analyzed in three dimensions using electron backscattered diffraction, electron and optical microscopy, and mechanical polishing serial sectioning. Grain size followed a gamma distribution, with extreme deviations observed only in the largest 0.1% of grains. Large grains exhibited plate-like morphologies, with the shortest-to-longest axis ratio converging to ∼0.4 as grain volume increased. This work revealed a crystallographically controlled growth mechanism orthogonal to [0001] that is independent of the applied uniaxial load. Comparison with a large-area 2D scan showed that while 2D analysis captures grain size distributions, it fails to resolve correlations between grain shape and size. A synthetic hexagonal high symmetry microstructure generated with equiaxed grains and random orientations reproduced the experimental size and misorientation distributions but highlighted deviations in shape and texture observed experimentally. These findings elucidate the role of grain morphology and orientation in ZrB2 microstructural evolution and provide guidance for designing ZrB2 microstructures with tailored anisotropy for performance. The experimental characterization in this study offers insights into the controlled processing of ultra-high-temperature ceramics.
{"title":"Quantitative grain structure and texture analysis of hot-pressed ZrB2 via 3D EBSD","authors":"Randi Swanson , Michael Chapman , Yue Zhou , Ashley Hilmas , Lisa Rueschhoff , Michael Uchic , William G. Fahrenholtz , Scott J. McCormack","doi":"10.1016/j.matdes.2025.115378","DOIUrl":"10.1016/j.matdes.2025.115378","url":null,"abstract":"<div><div>Understanding and controlling the grain structure of ZrB<sub>2</sub> is critical for optimizing its mechanical and thermal performance in high-temperature applications. Fully dense ZrB<sub>2</sub>, densified by hot pressing at 2150˚C and 32 MPa, was analyzed in three dimensions using electron backscattered diffraction, electron and optical microscopy, and mechanical polishing serial sectioning. Grain size followed a gamma distribution, with extreme deviations observed only in the largest 0.1% of grains. Large grains exhibited plate-like morphologies, with the shortest-to-longest axis ratio converging to ∼0.4 as grain volume increased. This work revealed a crystallographically controlled growth mechanism orthogonal to [0001] that is independent of the applied uniaxial load. Comparison with a large-area 2D scan showed that while 2D analysis captures grain size distributions, it fails to resolve correlations between grain shape and size. A synthetic hexagonal high symmetry microstructure generated with equiaxed grains and random orientations reproduced the experimental size and misorientation distributions but highlighted deviations in shape and texture observed experimentally. These findings elucidate the role of grain morphology and orientation in ZrB<sub>2</sub> microstructural evolution and provide guidance for designing ZrB<sub>2</sub> microstructures with tailored anisotropy for performance. The experimental characterization in this study offers insights into the controlled processing of ultra-high-temperature ceramics.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"261 ","pages":"Article 115378"},"PeriodicalIF":7.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939449","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}
Pub Date : 2026-01-01DOI: 10.1016/j.matdes.2025.115376
Yang Li, Yongqi Nie, Xiaoyu Han
Although PEEK material exhibits excellent mechanical properties, its performance still differs from that required for artificial bone implants. Therefore, additives such as carbon fiber (CF) are often incorporated to further enhance its mechanical properties. Additionally, the melting point of PEEK is approximately 343 °C, while the typical 3D printing environment temperature is approximately 25 °C. The significant temperature gradient between the extruded PEEK material and the ambient temperature restricts the alignment of molecular chains within the material, resulting in low crystallinity. To improve the bonding strength between CF and the PEEK matrix, this study employs a synergistic treatment method combining electrochemical oxidation and silane coupling agent to modify the CF surface, thereby enhancing the interfacial connection. Simultaneously, a high-temperature air-assisted printing process is introduced to precisely control the temperature field of the printing environment, suppress thermal stress, and promote molecular chain diffusion and crystallization, effectively strengthening the interlayer bonding. Experimental results demonstrate that the electrochemical oxidation-silane coupling agent modification improves the bonding strength approximately 14 % between CF and the PEEK matrix. The high-temperature air-assisted printing process enhances the interlayer adhesion between extruded layers. This study provides a practical technological approach and theoretical foundation for fabricating high-performance, customized CF/PEEK composite implants.
{"title":"Study on the mechanical properties of surface-modified CF/PEEK composite structures for potential implants fabricated by high-temperature air-assisted 3D printing","authors":"Yang Li, Yongqi Nie, Xiaoyu Han","doi":"10.1016/j.matdes.2025.115376","DOIUrl":"10.1016/j.matdes.2025.115376","url":null,"abstract":"<div><div>Although PEEK material exhibits excellent mechanical properties, its performance still differs from that required for artificial bone implants. Therefore, additives such as carbon fiber (CF) are often incorporated to further enhance its mechanical properties. Additionally, the melting point of PEEK is approximately 343 °C, while the typical 3D printing environment temperature is approximately 25 °C. The significant temperature gradient between the extruded PEEK material and the ambient temperature restricts the alignment of molecular chains within the material, resulting in low crystallinity. To improve the bonding strength between CF and the PEEK matrix, this study employs a synergistic treatment method combining electrochemical oxidation and silane coupling agent to modify the CF surface, thereby enhancing the interfacial connection. Simultaneously, a high-temperature air-assisted printing process is introduced to precisely control the temperature field of the printing environment, suppress thermal stress, and promote molecular chain diffusion and crystallization, effectively strengthening the interlayer bonding. Experimental results demonstrate that the electrochemical oxidation-silane coupling agent modification improves the bonding strength approximately 14 % between CF and the PEEK matrix. The high-temperature air-assisted printing process enhances the interlayer adhesion between extruded layers. This study provides a practical technological approach and theoretical foundation for fabricating high-performance, customized CF/PEEK composite implants.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"261 ","pages":"Article 115376"},"PeriodicalIF":7.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939498","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}
Pub Date : 2026-01-01DOI: 10.1016/j.matdes.2025.115331
Tuba Dolar , Nicolò Maria della Ventura , Florent Mignerot , Zihan Wang , Hannah C. Howard , Christopher T. Kassner , Haydn N.G. Wadley , Daniel S. Gianola , Wei Chen
Adaptive learning implementations for materials design are challenged by the complex, nonlinear relationships between composition and properties, particularly in high-performance applications such as high-temperature compositionally complex refractory alloys. Traditional Bayesian optimization (BO) methods, which typically rely on a single Gaussian Process (GP) surrogate, often struggle to model heterogenous behaviors across the design domain. To address this limitation, we introduce collaborative BO as a multi-agent framework for materials discovery. In the context of optimizing compositions for desired properties, each agent models a specific subregion of the design space, where subregions share similar property trends, and exchanges information with the other agents to expedite exploration and design optimization. Comparative evaluations demonstrate that, when compared to single-agent BO and other approaches discussed in this article multi-agent BO allows flexible information-sharing protocols and effectively reduces iterations of adaptive learning while reliably delivering designs that meet the targeted mechanical properties. These findings provide novel insights into the behavior of refractory multi-component alloys, using the Hf-Ti-Ta-Nb system as a case study, and illustrate the potential of adaptive multi-agent learning in efficiently screening extensive materials libraries. Moreover, the framework is broadly applicable to other problems characterized by diverse data sources, where advanced optimization strategies are essential for accelerated materials discovery.
{"title":"Accelerating materials discovery in heterogeneous composition-property design spaces via collaborative Bayesian optimization","authors":"Tuba Dolar , Nicolò Maria della Ventura , Florent Mignerot , Zihan Wang , Hannah C. Howard , Christopher T. Kassner , Haydn N.G. Wadley , Daniel S. Gianola , Wei Chen","doi":"10.1016/j.matdes.2025.115331","DOIUrl":"10.1016/j.matdes.2025.115331","url":null,"abstract":"<div><div>Adaptive learning implementations for materials design are challenged by the complex, nonlinear relationships between composition and properties, particularly in high-performance applications such as high-temperature compositionally complex refractory alloys. Traditional Bayesian optimization (BO) methods, which typically rely on a single Gaussian Process (GP) surrogate, often struggle to model heterogenous behaviors across the design domain. To address this limitation, we introduce collaborative BO as a multi-agent framework for materials discovery. In the context of optimizing compositions for desired properties, each agent models a specific subregion of the design space, where subregions share similar property trends, and exchanges information with the other agents to expedite exploration and design optimization. Comparative evaluations demonstrate that, when compared to single-agent BO and other approaches discussed in this article multi-agent BO allows flexible information-sharing protocols and effectively reduces iterations of adaptive learning while reliably delivering designs that meet the targeted mechanical properties. These findings provide novel insights into the behavior of refractory multi-component alloys, using the Hf-Ti-Ta-Nb system as a case study, and illustrate the potential of adaptive multi-agent learning in efficiently screening extensive materials libraries. Moreover, the framework is broadly applicable to other problems characterized by diverse data sources, where advanced optimization strategies are essential for accelerated materials discovery.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"261 ","pages":"Article 115331"},"PeriodicalIF":7.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939441","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}
Pub Date : 2026-01-01DOI: 10.1016/j.matdes.2025.115345
Yuhang Ding , Xishuang Jing , Yukai Sun , Yishu Wang , Wanyuan Gui
Ultra-high-speed laser cladding (UHSLC) technique is widely regarded as an effective and efficient method for depositing H13 coatings on 27SiMn steel, aiming at improving the wear resistance of 27SiMn steel and prolonging its service life. However, the inherent rapid heating and rapid solidification in UHSLC process frequently result in micro-cracks, severe elemental segregation, surface defects, and compromised mechanical properties. To address these challenges, high-speed laser remelting (HSLR) was employed as a post-treatment process. The results indicate that HSLR significantly reduces elemental segregation, minimizes cracks, and smooths the surface roughness, thus improving the integrity of H13 coatings. Specifically, with 2200 W remelting power, results revealed 41.5 % less surface roughness and 60.4 % reduced wear loss. In addition, the remelting process enhances wear resistance by promoting the refinement of microstructural, ensuring the long-term stability of coatings under harsh conditions. This study emphasizes the potential of combining UHSLC with HSLR to produce high performance coatings with excellent wear resistance and structural uniformity.
{"title":"Laser remelting as a surface modification strategy for wear resistance improvement in ultra-high-speed laser cladding fabricated H13 coatings","authors":"Yuhang Ding , Xishuang Jing , Yukai Sun , Yishu Wang , Wanyuan Gui","doi":"10.1016/j.matdes.2025.115345","DOIUrl":"10.1016/j.matdes.2025.115345","url":null,"abstract":"<div><div>Ultra-high-speed laser cladding (UHSLC) technique is widely regarded as an effective and efficient method for depositing H13 coatings on 27SiMn steel, aiming at improving the wear resistance of 27SiMn steel and prolonging its service life. However, the inherent rapid heating and rapid solidification in UHSLC process frequently result in micro-cracks, severe elemental segregation, surface defects, and compromised mechanical properties. To address these challenges, high-speed laser remelting (HSLR) was employed as a post-treatment process. The results indicate that HSLR significantly reduces elemental segregation, minimizes cracks, and smooths the surface roughness, thus improving the integrity of H13 coatings. Specifically, with 2200 W remelting power, results revealed 41.5 % less surface roughness and 60.4 % reduced wear loss. In addition, the remelting process enhances wear resistance by promoting the refinement of microstructural, ensuring the long-term stability of coatings under harsh conditions. This study emphasizes the potential of combining UHSLC with HSLR to produce high performance coatings with excellent wear resistance and structural uniformity.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"261 ","pages":"Article 115345"},"PeriodicalIF":7.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939457","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}
Pub Date : 2026-01-01DOI: 10.1016/j.matdes.2025.115382
Krzysztof S. Stopka, Michael D. Sangid
Microstructure-sensitive modeling has shown promise to reduce reliance on experimental test campaigns to determine fatigue performance. However, most existing fatigue life models use metrics focused solely on fatigue crack initiation (FCI), but which are calibrated against and validated with total fatigue life, leading to large errors, especially in the low cycle fatigue (LCF) regime. This work unifies coupon-level experiments and microstructure-sensitive crystal plasticity simulations by explicitly delineating between three stages of life: initiation, small crack growth, and long crack growth. We introduce a load-dependent non-local averaging regularization strategy that reveals microplasticity/hot spot confinement prevalent in high cycle fatigue (HCF) and slip transmission across grain boundaries in LCF. A single parameter, the critical value of the accumulated plastic strain energy density, governs both LCF and HCF, and the model reproduces experimental FCI lives and scatter across five orders of magnitude. Statistics of simulated fatigue hot spots are used to explain experimental trends of larger hot spot volumes encompassing more grains as load increases, and variability in microstructure features and resulting micromechanical fields directly tied to variability in the resulting fatigue life. The unification of LCF and HCF behavior is an important step to adopting model-based strategies for predictions of fatigue performance.
{"title":"A unified model for microstructure-sensitive fatigue crack initiation across low and high cycle fatigue","authors":"Krzysztof S. Stopka, Michael D. Sangid","doi":"10.1016/j.matdes.2025.115382","DOIUrl":"10.1016/j.matdes.2025.115382","url":null,"abstract":"<div><div>Microstructure-sensitive modeling has shown promise to reduce reliance on experimental test campaigns to determine fatigue performance. However, most existing fatigue life models use metrics focused solely on fatigue crack initiation (FCI), but which are calibrated against and validated with total fatigue life, leading to large errors, especially in the low cycle fatigue (LCF) regime. This work unifies coupon-level experiments and microstructure-sensitive crystal plasticity simulations by explicitly delineating between three stages of life: initiation, small crack growth, and long crack growth. We introduce a load-dependent non-local averaging regularization strategy that reveals microplasticity/hot spot confinement prevalent in high cycle fatigue (HCF) and slip transmission across grain boundaries in LCF. A single parameter, the critical value of the accumulated plastic strain energy density, governs both LCF and HCF, and the model reproduces experimental FCI lives and scatter across five orders of magnitude. Statistics of simulated fatigue hot spots are used to explain experimental trends of larger hot spot volumes encompassing more grains as load increases, and variability in microstructure features and resulting micromechanical fields directly tied to variability in the resulting fatigue life. The unification of LCF and HCF behavior is an important step to adopting model-based strategies for predictions of fatigue performance.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"261 ","pages":"Article 115382"},"PeriodicalIF":7.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939458","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}
Pub Date : 2026-01-01DOI: 10.1016/j.matdes.2025.115363
Fei He , Chao Ma , Shan Wan , Xiaodong Wang , Linlin Zhang
The sintering process is a key factor affecting the quality of piezoelectric ceramics, characterized by a complex nonlinear relationship between process parameters and final product quality. This paper proposes a multi-objective parameter optimization model driven by quality prediction to enhance sintering performance. Relationships between key indirect quality indicators (grain size, relative density, and residual stress) and final product properties are established. A BOHB-CatBoost prediction model accurately predicts process parameter impacts, while NSGA-III and TOPSIS-Entropy methods are employed to optimize 15 sintering parameters. Optimal process parameters yield quality indicators of 6.592 μm grain size, 0.975 relative density, and 1.09 MPa residual stress. This study provides valuable insights into tunnel kiln sintering quality control for piezoelectric ceramics, offering guidance for industrial production.
{"title":"Optimization of piezoelectric ceramics sintering process parameters based on multiple indirect quality indicators","authors":"Fei He , Chao Ma , Shan Wan , Xiaodong Wang , Linlin Zhang","doi":"10.1016/j.matdes.2025.115363","DOIUrl":"10.1016/j.matdes.2025.115363","url":null,"abstract":"<div><div>The sintering process is a key factor affecting the quality of piezoelectric ceramics, characterized by a complex nonlinear relationship between process parameters and final product quality. This paper proposes a multi-objective parameter optimization model driven by quality prediction to enhance sintering performance. Relationships between key indirect quality indicators (grain size, relative density, and residual stress) and final product properties are established. A BOHB-CatBoost prediction model accurately predicts process parameter impacts, while NSGA-III and TOPSIS-Entropy methods are employed to optimize 15 sintering parameters. Optimal process parameters yield quality indicators of 6.592 μm grain size, 0.975 relative density, and 1.09 MPa residual stress. This study provides valuable insights into tunnel kiln sintering quality control for piezoelectric ceramics, offering guidance for industrial production.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"261 ","pages":"Article 115363"},"PeriodicalIF":7.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939459","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}