Pub Date : 2026-01-01DOI: 10.1016/j.matdes.2025.115308
Minh-Tam Hoang , Jobin Joy , Eric Hintsala , Kevin Schmalbach , Douglas D. Stauffer , Anjana Talapatra , Moujhuri Sau , Justin Y. Cheng , Yukinori Yamamoto , Benjamin Eftink , Laurent Capolungo , Nathan A. Mara
Confidently predicting high-temperature deformation, including creep and creep rupture, is paramount for the design and commercialization of candidate materials for advanced nuclear energy systems. To accelerate creep quantification, we introduce a framework that enables rapid, cost-effective, and reliable prediction of creep rupture lifetimes, minimizing reliance on time-intensive bulk creep testing. Unlike conventional creep analysis, which requires extensive time and resources, our method leverages a maximum of four short-term bulk creep tests as training data for prediction. This framework combines high-throughput nanoindentation up to 700 C with these targeted bulk tests to inform our creep rupture model in order to predict rupture lifetimes. The strong agreement between our predictions and conventional experimental data demonstrates the effectiveness of our approach for accelerated creep analysis and lifetime prediction of structural components in high-temperature applications. Our multi-pronged approach motivates further integration of computational tools and advanced instrumentation to establish a universal framework for understanding high-temperature material responses.
{"title":"An accelerated framework for predicting creep rupture lifetimes in engineering alloys","authors":"Minh-Tam Hoang , Jobin Joy , Eric Hintsala , Kevin Schmalbach , Douglas D. Stauffer , Anjana Talapatra , Moujhuri Sau , Justin Y. Cheng , Yukinori Yamamoto , Benjamin Eftink , Laurent Capolungo , Nathan A. Mara","doi":"10.1016/j.matdes.2025.115308","DOIUrl":"10.1016/j.matdes.2025.115308","url":null,"abstract":"<div><div>Confidently predicting high-temperature deformation, including creep and creep rupture, is paramount for the design and commercialization of candidate materials for advanced nuclear energy systems. To accelerate creep quantification, we introduce a framework that enables rapid, cost-effective, and reliable prediction of creep rupture lifetimes, minimizing reliance on time-intensive bulk creep testing. Unlike conventional creep analysis, which requires extensive time and resources, our method leverages a maximum of four short-term bulk creep tests as training data for prediction. This framework combines high-throughput nanoindentation up to 700 <span><math><msup><mspace></mspace><mrow><mo>∘</mo></mrow></msup></math></span>C with these targeted bulk tests to inform our creep rupture model in order to predict rupture lifetimes. The strong agreement between our predictions and conventional experimental data demonstrates the effectiveness of our approach for accelerated creep analysis and lifetime prediction of structural components in high-temperature applications. Our multi-pronged approach motivates further integration of computational tools and advanced instrumentation to establish a universal framework for understanding high-temperature material responses.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"261 ","pages":"Article 115308"},"PeriodicalIF":7.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939456","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.2025.115319
Albrecht Radtke, Philipp Weißgraeber
Composite laminates are prone to delamination due to their layered structure. Translaminar reinforcements such as z-pins enhance delamination resistance by bridging cracks, but their insertion induces complex local effects — fiber displacement, resin-rich pockets, and fiber distortion — that strongly influence in-plane properties. Existing micromechanical models often rely on non-physical simplifications, such as discontinuous fiber paths or constant fiber volume fractions. Moreover, most are limited to circular pin geometries, preventing transferability to alternative reinforcement shapes. These shortcomings hinder an accurate prediction of structure–property relationships in pinned laminates.
This work introduces a new parametric modeling framework that combines analytical resin zone contour descriptions with a coupled fiber orientation and fiber volume fraction field. A novel segmented resin zone contour is proposed, enabling physically consistent and easily adaptable representations of experimentally observed microstructures for arbitrary pin geometries. The model additionally accounts for overlapping distortion zones. Validation against micrographs and literature data confirms that the segmented contour reproduces realistic distortion patterns and stiffness trends, including reduced longitudinal stiffness degradation for rectangular pins. The presented approach thus provides a physically grounded, geometry-independent basis for future analyses of through-thickness reinforced composites.
{"title":"Modeling fiber distortion and resin pockets in through-thickness reinforced composite laminates and their impact on in-plane properties","authors":"Albrecht Radtke, Philipp Weißgraeber","doi":"10.1016/j.matdes.2025.115319","DOIUrl":"10.1016/j.matdes.2025.115319","url":null,"abstract":"<div><div>Composite laminates are prone to delamination due to their layered structure. Translaminar reinforcements such as z-pins enhance delamination resistance by bridging cracks, but their insertion induces complex local effects — fiber displacement, resin-rich pockets, and fiber distortion — that strongly influence in-plane properties. Existing micromechanical models often rely on non-physical simplifications, such as discontinuous fiber paths or constant fiber volume fractions. Moreover, most are limited to circular pin geometries, preventing transferability to alternative reinforcement shapes. These shortcomings hinder an accurate prediction of structure–property relationships in pinned laminates.</div><div>This work introduces a new parametric modeling framework that combines analytical resin zone contour descriptions with a coupled fiber orientation and fiber volume fraction field. A novel segmented resin zone contour is proposed, enabling physically consistent and easily adaptable representations of experimentally observed microstructures for arbitrary pin geometries. The model additionally accounts for overlapping distortion zones. Validation against micrographs and literature data confirms that the segmented contour reproduces realistic distortion patterns and stiffness trends, including reduced longitudinal stiffness degradation for rectangular pins. The presented approach thus provides a physically grounded, geometry-independent basis for future analyses of through-thickness reinforced composites.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"261 ","pages":"Article 115319"},"PeriodicalIF":7.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939496","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.2025.115337
Jieyang Fang, Xiukun Hu, Qiong Wu, Hangfu Yang, Hongliang Ge
This study presents the Griffiths phase (GP) induced by the formation of a mixed Eu3+/Eu2+ valence state in a low-temperature Eu2B2O5 + δ system. The existence of a short-range ferromagnetically ordered GP is confirmed through modified Curie-Weiss and critical behavior analysis based on temperature dependence of heat capacity. Large magnetic entropy changes of up to 50.8J kg−1 K−1 near the Curie temperature TC and 36.09 J kg−1 K−1 near the GP temperature are achieved under a 5T magnetic field. The obtained nearest neighbor exchange energy J1 reveals the weak coupling between spins. A Brillouin function analysis revealed free-spin behaviors of Eu2+ near TC and constrained spin dynamics of Eu2+ due to mixed-valence interactions within the GP regime. Spin polarization in the PM matrix stimulated by the applied magnetic field generates a large magnetocaloric effect (MCE), implying that reasonable GP construction can produce an excellent MCE in cryogenic magnetic refrigeration materials.
{"title":"Mixed-valence induced Griffiths phase and large magnetocaloric effect in Eu2B2O5 + δ system","authors":"Jieyang Fang, Xiukun Hu, Qiong Wu, Hangfu Yang, Hongliang Ge","doi":"10.1016/j.matdes.2025.115337","DOIUrl":"10.1016/j.matdes.2025.115337","url":null,"abstract":"<div><div>This study presents the Griffiths phase (GP) induced by the formation of a mixed Eu<sup>3+</sup>/Eu<sup>2+</sup> valence state in a low-temperature Eu<sub>2</sub>B<sub>2</sub>O<sub>5 + δ</sub> system. The existence of a short-range ferromagnetically ordered GP is confirmed through modified Curie-Weiss and critical behavior analysis based on temperature dependence of heat capacity. Large magnetic entropy changes of up to 50.8J kg<sup>−1</sup> K<sup>−1</sup> near the Curie temperature <em>T</em><sub>C</sub> and 36.09 J kg<sup>−1</sup> K<sup>−1</sup> near the GP temperature are achieved under a 5T magnetic field. The obtained nearest neighbor exchange energy <em>J</em><sub>1</sub> reveals the weak coupling between spins. A Brillouin function analysis revealed free-spin behaviors of Eu<sup>2+</sup> near <em>T</em><sub>C</sub> and constrained spin dynamics of Eu<sup>2+</sup> due to mixed-valence interactions within the GP regime. Spin polarization in the PM matrix stimulated by the applied magnetic field generates a large magnetocaloric effect (MCE), implying that reasonable GP construction can produce an excellent MCE in cryogenic magnetic refrigeration materials.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"261 ","pages":"Article 115337"},"PeriodicalIF":7.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939501","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.2025.115365
Luis H. Olivas-Alanis , Agnieszka Chmielewska-Wysocka , Sahil Khambhampati , Stephen Niezgoda , Ciro Rodriguez , David Dean
Bone graft fixation plates, or osteosynthesis plates, are commonly employed in reconstructive surgery to repair segmental bone defects arising from trauma, pathology, or degenerative conditions. Fixation system failures are often attributed to stress concentration or stress shielding. We hypothesize that a fixation system promoting compressive force across the healing interface, while minimally disrupting physiological loading, may reduce hardware failure and bone resorption, respectively. This study investigates the potential of Nickel-Titanium (NiTi) alloys and engineered porous structures for providing superior mechanical integration, compared to conventional Ti6Al4V systems.
Non-personalized NiTi plates, produced by Powder Bed Fusion using Laser Beam (PBF-LB), with varied pore geometries—orthogonal struts and Schoen’s gyroid structures—were evaluated via four-point bending, following ASTM F382 guidelines. Thermo-chemical analysis confirmed the presence of the martensitic phase at both room and physiological temperatures, indicating shape memory behavior. Mechanical testing revealed no significant difference in stiffness between the two pore designs, with elastic moduli ranging from 13 to 22 GPa. Orthogonal geometries exhibited increased deflection after 50,000 bending cycles, suggesting progressive strain accumulation, but neither design failed catastrophically after 1 million cycles. These findings support NiTi fixation plates for systems designed to promote biomechanically favorable healing through stiffness matching and holistic device engagement.
{"title":"Engineered porosity for stiffness-matched, PBF-LB, Nickel-Titanium mandibular graft fixation plates","authors":"Luis H. Olivas-Alanis , Agnieszka Chmielewska-Wysocka , Sahil Khambhampati , Stephen Niezgoda , Ciro Rodriguez , David Dean","doi":"10.1016/j.matdes.2025.115365","DOIUrl":"10.1016/j.matdes.2025.115365","url":null,"abstract":"<div><div>Bone graft fixation plates, or osteosynthesis plates, are commonly employed in reconstructive surgery to repair segmental bone defects arising from trauma, pathology, or degenerative conditions. Fixation system failures are often attributed to stress concentration or stress shielding. We hypothesize that a fixation system promoting compressive force across the healing interface, while minimally disrupting physiological loading, may reduce hardware failure and bone resorption, respectively. This study investigates the potential of Nickel-Titanium (NiTi) alloys and engineered porous structures for providing superior mechanical integration, compared to conventional Ti6Al4V systems.</div><div>Non-personalized NiTi plates, produced by Powder Bed Fusion using Laser Beam (PBF-LB), with varied pore geometries—orthogonal struts and Schoen’s gyroid structures—were evaluated via four-point bending, following ASTM F382 guidelines. Thermo-chemical analysis confirmed the presence of the martensitic phase at both room and physiological temperatures, indicating shape memory behavior. Mechanical testing revealed no significant difference in stiffness between the two pore designs, with elastic moduli ranging from 13 to 22 GPa. Orthogonal geometries exhibited increased deflection after 50,000 bending cycles, suggesting progressive strain accumulation, but neither design failed catastrophically after 1 million cycles. These findings support NiTi fixation plates for systems designed to promote biomechanically favorable healing through stiffness matching and holistic device engagement.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"261 ","pages":"Article 115365"},"PeriodicalIF":7.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939589","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.2025.115354
Yiqi Zhou , Ke Sang , Peihu Yuan , Lili Li , Yu Yan , Zhigang Yang , Chi Zhang
The broader application of laser powder bed fusion (LPBF) processed 2205 duplex stainless steel (DSS) is often limited by its wear resistance and pitting corrosion performance. To address this, two types of WC/W2C reinforcing particles—small irregular (1–15 μm) and large spherical (15–45 μm)—were incorporated into the 2205 DSS matrix via LPBF. The distinct dissolution behaviors of these particles dictated the resultant properties. Small angular particles underwent complete dissolution, leading to pronounced solid solution strengthening which enhanced corrosion and wear resistance. This composite achieved a hardness increase of over 40 HV0.5, a polarization resistance > 0.8 × 105 Ω·cm2, and a critical pitting temperature (CPT) elevation of > 5 °C, alongside improved wear resistance (reduced wear depth > 5 μm). In contrast, the large spherical particles only partially dissolved, forming micro-galvanic cells with the matrix that severely degraded pitting corrosion resistance, reducing the CPT by 10 °C, despite offering superior wear performance. This study reveals a critical wear-corrosion performance trade-off in LPBF fabricated composites, governed by the dissolution dynamics and morphology of the reinforcing particles.
{"title":"The trade-off between wear and corrosion performance in WC/W2C reinforced laser powder bed fusion duplex stainless steel composites","authors":"Yiqi Zhou , Ke Sang , Peihu Yuan , Lili Li , Yu Yan , Zhigang Yang , Chi Zhang","doi":"10.1016/j.matdes.2025.115354","DOIUrl":"10.1016/j.matdes.2025.115354","url":null,"abstract":"<div><div>The broader application of laser powder bed fusion (LPBF) processed 2205 duplex stainless steel (DSS) is often limited by its wear resistance and pitting corrosion performance. To address this, two types of WC/W<sub>2</sub>C reinforcing particles—small irregular (1–15 μm) and large spherical (15–45 μm)—were incorporated into the 2205 DSS matrix via LPBF. The distinct dissolution behaviors of these particles dictated the resultant properties. Small angular particles underwent complete dissolution, leading to pronounced solid solution strengthening which enhanced corrosion and wear resistance. This composite achieved a hardness increase of over 40 HV<sub>0.5</sub>, a polarization resistance > 0.8 × 10<sup>5</sup> Ω·cm<sup>2</sup>, and a critical pitting temperature (CPT) elevation of > 5 °C, alongside improved wear resistance (reduced wear depth > 5 μm). In contrast, the large spherical particles only partially dissolved, forming micro-galvanic cells with the matrix that severely degraded pitting corrosion resistance, reducing the CPT by 10 °C, despite offering superior wear performance. This study reveals a critical wear-corrosion performance trade-off in LPBF fabricated composites, governed by the dissolution dynamics and morphology of the reinforcing particles.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"261 ","pages":"Article 115354"},"PeriodicalIF":7.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939334","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.2025.115370
Rehana Bano , Béla Viskolcz , Béla Fiser
The development of low-cost and efficient electrocatalysts for the ambient nitrogen reduction reaction (NRR) is essential for the synthesis of NH3 and offers a substitute for the conventional Haber-Bosch process. In the present work, density functional theory (DFT) is employed to investigate the electrochemical nitrogen reduction reaction (NRR) catalysed by TM@Mg12O12 (TM=Sc ∼ Zn) nanocages. All complexes exhibit chemisorption interactions with interaction energies ranging from −2.49 eV to −1.11 eV, except Zn@ Mg12O12 (−0.48 eV) which shows physisorption. The energy gaps (Eg) of TM@Mg12O12 are significantly reduced compared with pristine Mg12O12 indicating enhanced conductivity. Electronic properties and interaction types were analyzed using density of states, natural bond orbital, interaction region indicator, and quantum theory of atoms in molecules analyses. The results reveal that TM doping notably enhances N2 activation relative to pure Mg12O12. Among all candidates, Mn@Mg12O12 exhibits the highest NRR activity, with a limiting potential of −0.84 V along the alternating pathway. The stability and energetics of intermediates were further assessed to determine the optimal reaction mechanism for NH3 synthesis. This study provides fundamental insights into the rational design of single-atom catalysts supported on three-dimensional nanocages, contributing to the development of efficient electrocatalysts for ambient ammonia synthesis.
{"title":"Electronic structure and catalytic activity of TM@Mg12O12 nanocages for ambient ammonia synthesis","authors":"Rehana Bano , Béla Viskolcz , Béla Fiser","doi":"10.1016/j.matdes.2025.115370","DOIUrl":"10.1016/j.matdes.2025.115370","url":null,"abstract":"<div><div>The development of low-cost and efficient electrocatalysts for the ambient nitrogen reduction reaction (NRR) is essential for the synthesis of NH<sub>3</sub> and offers a substitute for the conventional Haber-Bosch process. In the present work, density functional theory (DFT) is employed to investigate the electrochemical nitrogen reduction reaction (NRR) catalysed by TM@Mg<sub>12</sub>O<sub>12</sub> (TM=Sc ∼ Zn) nanocages. All complexes exhibit chemisorption interactions with interaction energies ranging from −2.49 eV to −1.11 eV, except Zn@ Mg<sub>12</sub>O<sub>12</sub> (−0.48 eV) which shows physisorption. The energy gaps (E<sub>g</sub>) of TM@Mg<sub>12</sub>O<sub>12</sub> are significantly reduced compared with pristine Mg<sub>12</sub>O<sub>12</sub> indicating enhanced conductivity. Electronic properties and interaction types were analyzed using density of states, natural bond orbital, interaction region indicator, and quantum theory of atoms in molecules analyses. The results reveal that TM doping notably enhances N<sub>2</sub> activation relative to pure Mg<sub>12</sub>O<sub>12</sub>. Among all candidates, Mn@Mg<sub>12</sub>O<sub>12</sub> exhibits the highest NRR activity, with a limiting potential of −0.84 V along the alternating pathway. The stability and energetics of intermediates were further assessed to determine the optimal reaction mechanism for NH<sub>3</sub> synthesis. This study provides fundamental insights into the rational design of single-atom catalysts supported on three-dimensional nanocages, contributing to the development of efficient electrocatalysts for ambient ammonia synthesis.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"261 ","pages":"Article 115370"},"PeriodicalIF":7.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939368","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.2025.115368
Wenqing Wang , Anas A. Abu-Odeh , David H. Cook , Robert O. Ritchie , Mark Asta , Satish Rao
The refractory medium-entropy alloy (RMEA) exhibits exceptional tensile ductility and fracture toughness at ambient temperature, but its engineering applications are limited by a lack of high temperature strength. Using a machine-learning interatomic potential (MLIP) with near-density functional theory (DFT) accuracy, we conducted molecular dynamics (MD) and statics simulations of the behavior of dislocations with both screw and edge characters. We also analyze experimentally measured yield strengths using the Rao-Suzuki model and the Maresca-Curtin model modified to include a temperature-dependent shear modulus and a bulk modulus-dependent misfit volume, thereby uncovering the mechanisms underlying the yielding of this RMEA. Compared with the published experimental yield strength, the models parameterized by the MLIP effectively reproduce the experimental results over a wide temperature range. The models and MD simulations indicate that yielding is governed by screw dislocations, with dipole dragging as the dominant mechanism. In MD simulations, we observed a potential softening mechanism not considered by the Rao-Suzuki screw model: slow migration of interstitial jogs along the dislocation core, which could lead to the annihilation of vacancy and interstitial jog pairs by their combination.
{"title":"A theoretical study of solid solution strengthening in the refractory medium entropy alloy Nb45Ta25Ti15Hf15","authors":"Wenqing Wang , Anas A. Abu-Odeh , David H. Cook , Robert O. Ritchie , Mark Asta , Satish Rao","doi":"10.1016/j.matdes.2025.115368","DOIUrl":"10.1016/j.matdes.2025.115368","url":null,"abstract":"<div><div>The refractory medium-entropy alloy (RMEA) <span><math><msub><mtext>Nb</mtext><mrow><mn>45</mn></mrow></msub><msub><mtext>Ta</mtext><mrow><mn>25</mn></mrow></msub><msub><mtext>Ti</mtext><mrow><mn>15</mn></mrow></msub><msub><mtext>Hf</mtext><mrow><mn>15</mn></mrow></msub></math></span> exhibits exceptional tensile ductility and fracture toughness at ambient temperature, but its engineering applications are limited by a lack of high temperature strength. Using a machine-learning interatomic potential (MLIP) with near-density functional theory (DFT) accuracy, we conducted molecular dynamics (MD) and statics simulations of the behavior of dislocations with both screw and edge characters. We also analyze experimentally measured yield strengths using the Rao-Suzuki model and the Maresca-Curtin model modified to include a temperature-dependent shear modulus and a bulk modulus-dependent misfit volume, thereby uncovering the mechanisms underlying the yielding of this RMEA. Compared with the published experimental yield strength, the models parameterized by the MLIP effectively reproduce the experimental results over a wide temperature range. The models and MD simulations indicate that yielding is governed by screw dislocations, with dipole dragging as the dominant mechanism. In MD simulations, we observed a potential softening mechanism not considered by the Rao-Suzuki screw model: slow migration of interstitial jogs along the dislocation core, which could lead to the annihilation of vacancy and interstitial jog pairs by their combination.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"261 ","pages":"Article 115368"},"PeriodicalIF":7.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939450","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.2025.115389
Majid Shafaie , Mehrdad Keneshlou , Sina Askarinejad
Yld2011-27p is a highly accurate criterion for modeling anisotropic material behavior, though its anisotropic parameter identification traditionally requires extensive experimentation. The present study proposes two data-driven approaches, direct and indirect, based on the earing geometry of a single deep drawing test for efficiently determining these parameters. A deep neural network (DNN) trained by preliminary finite element data is used in the direct method while a combination of deep neural network and genetic algorithm (GA) is used in the indirect method to calibrate the Yld2011-27p anisotropic parameters. These models are iteratively updated through finite element simulations via a Python script and an Abaqus VUMAT subroutine, until the simulated results align with experimental observations. The entire process is automated, requiring only the experimental output and parameter bounds from the user. The approach significantly reduces experimental effort while achieving high prediction accuracy. The direct and indirect frameworks reached final contour prediction errors of 0.94 mm and 0.88 mm, respectively, which are lower than the error of the experimentally calibrated parameters (0.97 mm).
{"title":"Orthotropic behavior characterization in sheet metal forming: parameter identification of Yld2011-27p model using deep learning and genetic algorithm","authors":"Majid Shafaie , Mehrdad Keneshlou , Sina Askarinejad","doi":"10.1016/j.matdes.2025.115389","DOIUrl":"10.1016/j.matdes.2025.115389","url":null,"abstract":"<div><div>Yld2011-27p is a highly accurate criterion for modeling anisotropic material behavior, though its anisotropic parameter identification traditionally requires extensive experimentation. The present study proposes two data-driven approaches, direct and indirect, based on the earing geometry of a single deep drawing test for efficiently determining these parameters. A deep neural network (DNN) trained by preliminary finite element data is used in the direct method while a combination of deep neural network and genetic algorithm (GA) is used in the indirect method to calibrate the Yld2011-27p anisotropic parameters. These models are iteratively updated through finite element simulations via a Python script and an Abaqus VUMAT subroutine, until the simulated results align with experimental observations. The entire process is automated, requiring only the experimental output and parameter bounds from the user. The approach significantly reduces experimental effort while achieving high prediction accuracy. The direct and indirect frameworks reached final contour prediction errors of 0.94 mm and 0.88 mm, respectively, which are lower than the error of the experimentally calibrated parameters (0.97 mm).</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"261 ","pages":"Article 115389"},"PeriodicalIF":7.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939453","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.2025.115425
Yang Hua , Hairui Pei , Yukui Cai , Reza Teimouri , Zhanqiang Liu
In the burnishing of nickel-based superalloy Inconel 718, the extent of surface plastic deformation and its interaction with material’s work-hardenability play a critical role in generating and distributing compressive residual stress (CRS). However, once plastic deformation exceeds a certain threshold, the work-hardened surface layer acts as a rigid shell that restricts further improvement in CRS magnitude and depth. Ductility enhancement through an in-situ thermal assistance, namely laser-assisted burnishing (LAB), is a promising solution. Designing an efficient LAB process that achieves a targeted CRS profile, however, requires a comprehensive understanding of interaction between the elastic and plastic stress states during processing that can be well identified through a physics-based model. To this regard, development a comprehensive model that can predict the distribution of residual stress in LAB process remained as an open issue that merits further studies. This work proposed a fully coupled thermo-mechanical-based finite element model to analyze the impact of LAB process factors on residual stress distribution through considering the hardening behavior during the machining process. The obtained results have been then verified using comparison of measured and predicted residual stress profile taking into account surface residual stress, magnitude and the depth of maximum CRS, and the depth a which the CRS becomes zero. It was found from the results, that over the 10 benchmark tests, the average prediction error for the foresaid residual stress indices is 8.5 %, 9.1 % and 10.3 %, respectively.
{"title":"A new residual stress prediction model for laser-assisted burnishing inconel718","authors":"Yang Hua , Hairui Pei , Yukui Cai , Reza Teimouri , Zhanqiang Liu","doi":"10.1016/j.matdes.2025.115425","DOIUrl":"10.1016/j.matdes.2025.115425","url":null,"abstract":"<div><div>In the burnishing of nickel-based superalloy Inconel 718, the extent of surface plastic deformation and its interaction with material’s work-hardenability play a critical role in generating and distributing compressive residual stress (CRS). However, once plastic deformation exceeds a certain threshold, the work-hardened surface layer acts as a rigid shell that restricts further improvement in CRS magnitude and depth. Ductility enhancement through an in-situ thermal assistance, namely laser-assisted burnishing (LAB), is a promising solution. Designing an efficient LAB process that achieves a targeted CRS profile, however, requires a comprehensive understanding of interaction between the elastic and plastic stress states during processing that can be well identified through a physics-based model. To this regard, development a comprehensive model that can predict the distribution of residual stress in LAB process remained as an open issue that merits further studies. This work proposed a fully coupled thermo-mechanical-based finite element model to analyze the impact of LAB process factors on residual stress distribution through considering the hardening behavior during the machining process. The obtained results have been then verified using comparison of measured and predicted residual stress profile taking into account surface residual stress, magnitude and the depth of maximum CRS, and the depth a which the CRS becomes zero. It was found from the results, that over the 10 benchmark tests, the average prediction error for the foresaid residual stress indices is 8.5 %, 9.1 % and 10.3 %, respectively.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"262 ","pages":"Article 115425"},"PeriodicalIF":7.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145941131","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.2025.115421
Pablo Garcia-Chao , Winfried Kranendonk , Cornelis Bos , Jilt Sietsma , Sven Erik Offerman
Producing robust recrystallization models which can assist metallic microstructural design requires effectively understanding recrystallization nucleation. When the nucleation of static recrystallization (SRX) occurs at deformed grain boundaries, strain-induced boundary migration (bulging) is generally accepted as the nucleation mechanism. However, the present study challenges that view, showing, for a Ni-30%Fe alloy, that nucleation at deformed grain boundaries is not solely determined by bulging: results indicate that the number of bulges developed in the deformed microstructure is over four times larger than the number of SRX grains. On the other hand, SRX nucleation is shown to occur only when the low-angle boundary (LAB) between a pre-existing bulge and its parent grain transforms into a high-angle boundary (HAB). Based on this, a novel nucleation criterion is proposed, which may apply to SRX irrespective of the nucleation site (and to dynamic/metadynamic recrystallization): nucleation occurs whenever the misorientation of the LAB surrounding a bulge reaches the minimum HAB misorientation (e.g., 15°). Besides, correlation exists between the dislocation density accumulated around the various triple junction and grain boundary types in the microstructure, and their nucleation efficiency. This has been attributed to the higher fraction of relatively large initial subgrain misorientations measured for higher boundary dislocation density.
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