Pub Date : 2025-12-08DOI: 10.1016/j.scriptamat.2025.117134
John Snitzer , Wei-Ying Chen , Xiaoyuan Lou
This study elucidates the evolution of additively manufactured (AM) microstructure of 316H stainless steels (SSs) by direct energy deposition (DED) and laser powder bed fusion (LPBF) during high-temperature dislocation creep . Utilizing in-situ irradiation characterization, the effects of creep-developed microstructures at different stages on the irradiation resistance of AM 316H SS. Precipitates along the prior dislocation cell walls contributed to the resistance to dislocation creep in both materials, with DED 316H being inferior in creep resistance compared to LPBF 316H Under irradiation, dislocation loop formation was observed in both materials within the cell interior. At the doses up to 5 dpa, there was little evidence to support that the creep developed microstructures significantly impact the irradiation resistance of AM 316H SS. It was, however, determined that the processing method itself can affect irradiation resistance. At 5 dpa, the effects of processing condition and creep are no longer observed.
{"title":"Creep-induced microstructural evolution of additively manufactured 316H stainless steels and its effects on radiation resistance","authors":"John Snitzer , Wei-Ying Chen , Xiaoyuan Lou","doi":"10.1016/j.scriptamat.2025.117134","DOIUrl":"10.1016/j.scriptamat.2025.117134","url":null,"abstract":"<div><div>This study elucidates the evolution of additively manufactured (AM) microstructure of 316H stainless steels (SSs) by direct energy deposition (DED) and laser powder bed fusion (LPBF) during high-temperature dislocation creep . Utilizing <em>in-situ</em> irradiation characterization, the effects of creep-developed microstructures at different stages on the irradiation resistance of AM 316H SS. Precipitates along the prior dislocation cell walls contributed to the resistance to dislocation creep in both materials, with DED 316H being inferior in creep resistance compared to LPBF 316H Under irradiation, dislocation loop formation was observed in both materials within the cell interior. At the doses up to 5 dpa, there was little evidence to support that the creep developed microstructures significantly impact the irradiation resistance of AM 316H SS. It was, however, determined that the processing method itself can affect irradiation resistance. At 5 dpa, the effects of processing condition and creep are no longer observed.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"274 ","pages":"Article 117134"},"PeriodicalIF":5.6,"publicationDate":"2025-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145735015","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 : 2025-12-08DOI: 10.1016/j.scriptamat.2025.117113
Chunguang Tang , Muhammad A. Ghouri , Jiaojiao Yi , Matthew R. Barnett
The Calculation of Phase Diagrams (CALPHAD) method has proven useful in assessing the phase stability of multi-component alloys. This success does not extend to the prediction of stacking fault energy (SFE) in fcc systems. We propose this can be viewed as a consequence of the (largely unknown) compositional dependency of the binary interaction terms. To make the case, we compare CALPHAD-predicted SFEs with atomistic computations based on the axial Ising model. To facilitate the search for new multi-component alloys while acknowledging this shortfall in knowledge, we propose an approach whereby binary interaction terms are refined during the search. As an illustrative case study, we apply this method to a directed search for Cr-Fe-Ni alloys with reduced Ni contents while preserving the value of the SFE.
{"title":"Searching for new multi-component alloys with desirable stacking fault energies: The compositional dependency of binary interaction terms","authors":"Chunguang Tang , Muhammad A. Ghouri , Jiaojiao Yi , Matthew R. Barnett","doi":"10.1016/j.scriptamat.2025.117113","DOIUrl":"10.1016/j.scriptamat.2025.117113","url":null,"abstract":"<div><div>The Calculation of Phase Diagrams (CALPHAD) method has proven useful in assessing the phase stability of multi-component alloys. This success does not extend to the prediction of stacking fault energy (SFE) in fcc systems. We propose this can be viewed as a consequence of the (largely unknown) compositional dependency of the binary interaction terms. To make the case, we compare CALPHAD-predicted SFEs with atomistic computations based on the axial Ising model. To facilitate the search for new multi-component alloys while acknowledging this shortfall in knowledge, we propose an approach whereby binary interaction terms are refined during the search. As an illustrative case study, we apply this method to a directed search for Cr-Fe-Ni alloys with reduced Ni contents while preserving the value of the SFE.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"274 ","pages":"Article 117113"},"PeriodicalIF":5.6,"publicationDate":"2025-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145735014","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 : 2025-12-06DOI: 10.1016/j.scriptamat.2025.117131
Yibo Zhang , Yaojun Li , Qian Liao , Yuexia Wang , Xianfeng Ma , Fei Zhu , Yuzhou Wang
Conventional nuclear ceramics suffer drastic thermal conductivity degradation under nuclear radiation. MAX phase materials, with their hybrid metallic-ceramic bond characteristics, represent promising fuel materials capable of mitigating irradiation-induced conductivity changes. Nonetheless, the critical property of post-irradiation thermal conductivity of MAX phase remains unexplored. In this study, we investigated the thermal conductivity of Ti3SiC2 following He ion irradiation. Multimodal microstructural characterization revealed irradiation-induced lattice disturbance and a high density of He bubbles. State-of-the-art spatial-domain thermoreflectance measurement demonstrated roughly 74% reduction in thermal conductivity, less severe than conventional ceramics but exceeding typical metals. This intermediate degradation stems from the electron-dominated thermal transport in Ti3SiC2, which is particularly sensitive to small-scale defects. First-principles calculation revealed the distinct impact of irradiation defects on electron transport, with Si and He related defects exhibiting the largest influence. The material’s retained thermal performance under irradiation suggests promising potential for enhancing thermal properties in advanced nuclear fuels.
{"title":"Helium ion induced degradation of microstructure and thermal conductivity in MAX phase Ti3SiC2","authors":"Yibo Zhang , Yaojun Li , Qian Liao , Yuexia Wang , Xianfeng Ma , Fei Zhu , Yuzhou Wang","doi":"10.1016/j.scriptamat.2025.117131","DOIUrl":"10.1016/j.scriptamat.2025.117131","url":null,"abstract":"<div><div>Conventional nuclear ceramics suffer drastic thermal conductivity degradation under nuclear radiation. MAX phase materials, with their hybrid metallic-ceramic bond characteristics, represent promising fuel materials capable of mitigating irradiation-induced conductivity changes. Nonetheless, the critical property of post-irradiation thermal conductivity of MAX phase remains unexplored. In this study, we investigated the thermal conductivity of Ti<sub>3</sub>SiC<sub>2</sub> following He ion irradiation. Multimodal microstructural characterization revealed irradiation-induced lattice disturbance and a high density of He bubbles. State-of-the-art spatial-domain thermoreflectance measurement demonstrated roughly 74% reduction in thermal conductivity, less severe than conventional ceramics but exceeding typical metals. This intermediate degradation stems from the electron-dominated thermal transport in Ti<sub>3</sub>SiC<sub>2</sub>, which is particularly sensitive to small-scale defects. First-principles calculation revealed the distinct impact of irradiation defects on electron transport, with Si and He related defects exhibiting the largest influence. The material’s retained thermal performance under irradiation suggests promising potential for enhancing thermal properties in advanced nuclear fuels.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"274 ","pages":"Article 117131"},"PeriodicalIF":5.6,"publicationDate":"2025-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145683455","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 : 2025-12-05DOI: 10.1016/j.scriptamat.2025.117120
Runguang Li, Ziyu Ma, Jun Wang, Hossein Beladi, Matthew R. Barnett
Stacking fault energy (SFE) critically affects twinning and martensitic transformation in FCC metals. As an intrinsic parameter, it is expected to remain constant under various testing conditions at the same temperature. The widely used Reed-Schramm method estimates SFE from stacking fault probability (SFP) and root mean square (rms) microstrain in deformed metals. In this study, synchrotron high-energy X-ray diffraction was used to evaluate the SFP and rms microstrain in a tensile-deformed TWIP steel. The SFP showed a strong correlation with grain orientation, whereas rms microstrain was relatively orientation-insensitive. These parameters yielded orientation-sensitive measured SFE (mSFE) values ranging from 4 to 30 mJ/m², correlating with the developed [111]//LD (low mSFE) and [100]//LD (high mSFE) texture components. Transmission electron microscopy further revealed microstructural differences, with dense, highly extended stacking faults in [111]//LD grains but few in [100]//LD grains. These findings highlight the limitations of diffraction-based experimental strategies in determining the SFE.
{"title":"FCC stacking fault energies from diffraction depend on orientation","authors":"Runguang Li, Ziyu Ma, Jun Wang, Hossein Beladi, Matthew R. Barnett","doi":"10.1016/j.scriptamat.2025.117120","DOIUrl":"10.1016/j.scriptamat.2025.117120","url":null,"abstract":"<div><div>Stacking fault energy (SFE) critically affects twinning and martensitic transformation in FCC metals. As an intrinsic parameter, it is expected to remain constant under various testing conditions at the same temperature. The widely used Reed-Schramm method estimates SFE from stacking fault probability (SFP) and root mean square (rms) microstrain in deformed metals. In this study, synchrotron high-energy X-ray diffraction was used to evaluate the SFP and rms microstrain in a tensile-deformed TWIP steel. The SFP showed a strong correlation with grain orientation, whereas rms microstrain was relatively orientation-insensitive. These parameters yielded orientation-sensitive measured SFE (mSFE) values ranging from 4 to 30 mJ/m², correlating with the developed [111]//LD (low mSFE) and [100]//LD (high mSFE) texture components. Transmission electron microscopy further revealed microstructural differences, with dense, highly extended stacking faults in [111]//LD grains but few in [100]//LD grains. These findings highlight the limitations of diffraction-based experimental strategies in determining the SFE.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"274 ","pages":"Article 117120"},"PeriodicalIF":5.6,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145683453","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 : 2025-12-05DOI: 10.1016/j.scriptamat.2025.117116
Lawrence Cho , Emily Pittman , Leslie Lamberson , Alec Williamson , David Ulrich , Garrison Hommer , Daniel M. Field , Krista R. Limmer , Kip O. Findley , John G. Speer
This study employed rapid, short-time duration (1 s) tempering to improve the dynamic performance of high-strength steel (HSS) and ultra-high-strength steel (UHSS), compared to quenched and conventionally (1800 s) tempered microstructures. Rapid tempering significantly improved the Charpy toughness of both steels compared to the conventionally tempered condition at an equivalent tempering parameter (TP) or hardness level. For conventionally tempered conditions, tempered martensite embrittlement was observed within the tempering temperature range of 200–400 °C, whereas rapid tempering exhibited increased Charpy toughness with increasing tempering temperature across all tempering conditions. Dynamic compression experiments indicated that rapid tempering led to improved ductility compared to the conventionally tempered condition at an equivalent TP. This work shows that the same rapid tempering strategy used for HSS is directly transferable to a higher-carbon UHSS and provides the first systematic evidence of improved strength-ductility combinations and cracking resistance under dynamic compression, supported by Kolsky bar experiments.
{"title":"Rapid tempering to enhance dynamic performance of high and ultra-high strength steels","authors":"Lawrence Cho , Emily Pittman , Leslie Lamberson , Alec Williamson , David Ulrich , Garrison Hommer , Daniel M. Field , Krista R. Limmer , Kip O. Findley , John G. Speer","doi":"10.1016/j.scriptamat.2025.117116","DOIUrl":"10.1016/j.scriptamat.2025.117116","url":null,"abstract":"<div><div>This study employed rapid, short-time duration (1 s) tempering to improve the dynamic performance of high-strength steel (HSS) and ultra-high-strength steel (UHSS), compared to quenched and conventionally (1800 s) tempered microstructures. Rapid tempering significantly improved the Charpy toughness of both steels compared to the conventionally tempered condition at an equivalent tempering parameter (TP) or hardness level. For conventionally tempered conditions, tempered martensite embrittlement was observed within the tempering temperature range of 200–400 °C, whereas rapid tempering exhibited increased Charpy toughness with increasing tempering temperature across all tempering conditions. Dynamic compression experiments indicated that rapid tempering led to improved ductility compared to the conventionally tempered condition at an equivalent TP. This work shows that the same rapid tempering strategy used for HSS is directly transferable to a higher-carbon UHSS and provides the first systematic evidence of improved strength-ductility combinations and cracking resistance under dynamic compression, supported by Kolsky bar experiments.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"274 ","pages":"Article 117116"},"PeriodicalIF":5.6,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145683452","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 : 2025-12-05DOI: 10.1016/j.scriptamat.2025.117123
Chiharu Ota, Johji Nishio, Ryosuke Iijima
We discovered previously unreported defects in the 4H-SiC epilayers that do not lie along the [0001] direction or on the () plane. Each defect consists of a pair of partial dislocations separated by a stacking fault rather than forming a perfect dislocation. Because they have inclination angles of 52° and 65° from the [0001] direction toward the [] direction, we refer to them as “pseudo- threading edge dislocations (TEDs).” The spacing between partial dislocations in the pseudo-TEDs also increases, reaching up to 12 nm at an inclination angle of 90° Based on the observed crystallographic orientation, the pseudo-TEDs appear to stabilize along the () planes. Furthermore, comparison of the elastic strain energy between TEDs in the form of perfect dislocations and the total energy of basal plane dislocations suggests that as the inclination angle increases, the pseudo-TED structure becomes more favorable compared with a perfect dislocation.
{"title":"Inclined TEDs with pairs of partial dislocations located away from the basal plane in 4H-SiC epilayers","authors":"Chiharu Ota, Johji Nishio, Ryosuke Iijima","doi":"10.1016/j.scriptamat.2025.117123","DOIUrl":"10.1016/j.scriptamat.2025.117123","url":null,"abstract":"<div><div>We discovered previously unreported defects in the 4H-SiC epilayers that do not lie along the [0001] direction or on the (<span><math><mrow><mn>11</mn><mover><mn>2</mn><mo>¯</mo></mover><mn>0</mn></mrow></math></span>) plane. Each defect consists of a pair of partial dislocations separated by a stacking fault rather than forming a perfect dislocation. Because they have inclination angles of 52° and 65° from the [0001] direction toward the [<span><math><mrow><mn>11</mn><mover><mn>2</mn><mo>¯</mo></mover><mn>0</mn></mrow></math></span>] direction, we refer to them as “pseudo- threading edge dislocations (TEDs).” The spacing between partial dislocations in the pseudo-TEDs also increases, reaching up to 12 nm at an inclination angle of 90° Based on the observed crystallographic orientation, the pseudo-TEDs appear to stabilize along the (<span><math><mrow><mn>11</mn><mover><mn>2</mn><mo>¯</mo></mover><mrow><mo>(</mo><mrow><mn>2</mn><mi>n</mi></mrow><mo>)</mo></mrow></mrow></math></span>) planes. Furthermore, comparison of the elastic strain energy between TEDs in the form of perfect dislocations and the total energy of basal plane dislocations suggests that as the inclination angle increases, the pseudo-TED structure becomes more favorable compared with a perfect dislocation.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"274 ","pages":"Article 117123"},"PeriodicalIF":5.6,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145683454","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 : 2025-12-04DOI: 10.1016/j.scriptamat.2025.117122
Nan Wang , Jide Liu , Xinli Wang , Wei Xu , Jinguo Li
Trace addition of yttrium (Y) significantly enhances the high-temperature creep resistance of a second-generation nickel-based single crystal superalloy. This study reveals the underlying mechanism by elucidating the influence of Y on atomic diffusion and dislocation recovery during creep at 1100°C/90 MPa. Through coupled APT and TEM, it demonstrates that Y preferentially partitions to the γ′ phase, altering interfacial chemistry and suppressing atomic diffusivity in the γ matrix, γ′ phase and dislocation cores, respectively. This diffusion barrier decelerates the evolution of dislocation networks, while retarding their degradation. Most critically, it profoundly inhibits the climb-controlled motion of a<100> super-dislocations, which is the primary recovery mechanism. Consequently, Y doping preserves a stable dislocation network and suppresses recovery processes, resulting in an exceptionally low steady-state strain rate. These findings uncover a novel mechanism whereby trace Y enhances creep resistance by inhibiting diffusion-mediated dislocation recovery, establishing a foundation for a new alloy design strategy.
{"title":"Inhibiting dislocation recovery via yttrium-induced diffusion barriers: A novel strategy for creep resistance in Ni-based single crystal superalloys","authors":"Nan Wang , Jide Liu , Xinli Wang , Wei Xu , Jinguo Li","doi":"10.1016/j.scriptamat.2025.117122","DOIUrl":"10.1016/j.scriptamat.2025.117122","url":null,"abstract":"<div><div>Trace addition of yttrium (Y) significantly enhances the high-temperature creep resistance of a second-generation nickel-based single crystal superalloy. This study reveals the underlying mechanism by elucidating the influence of Y on atomic diffusion and dislocation recovery during creep at 1100°C/90 MPa. Through coupled APT and TEM, it demonstrates that Y preferentially partitions to the γ′ phase, altering interfacial chemistry and suppressing atomic diffusivity in the γ matrix, γ′ phase and dislocation cores, respectively. This diffusion barrier decelerates the evolution of dislocation networks, while retarding their degradation. Most critically, it profoundly inhibits the climb-controlled motion of a<100> super-dislocations, which is the primary recovery mechanism. Consequently, Y doping preserves a stable dislocation network and suppresses recovery processes, resulting in an exceptionally low steady-state strain rate. These findings uncover a novel mechanism whereby trace Y enhances creep resistance by inhibiting diffusion-mediated dislocation recovery, establishing a foundation for a new alloy design strategy.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"274 ","pages":"Article 117122"},"PeriodicalIF":5.6,"publicationDate":"2025-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145684057","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 : 2025-12-03DOI: 10.1016/j.scriptamat.2025.117121
Xiaobo Yu , Zhenyou Li , Yang Bai , Qinghua Zhang , Peng Chen , Hong Zhao , Lin Gu , Qian Zhan
The physical origin of controlling ferroelectric properties in defect-engineered Aurivillius-phase layered materials lies in the local polarization evolution mediated by structural defects. Nevertheless, the role of widely prevalent out-of-phase boundary (OPB) defects in configuring polarization remains unclear. This study uses Bi3.15Nd0.85Ti3O12 film, optimized with a HfO2 buffer layer, as a model system to elucidate the intrinsic mechanism behind the enhanced local polarization within the OPB defect regions. Atomic-scale quantitative analysis reveals that OPB defects enhance the in-plane displacement of B-site cations and co-align their out-of-plane polarization directions within the perovskite layers. This reconfiguration disrupts the intrinsic antipolar ordering by eliminating the antiparallel alignment of out-of-plane dipoles between adjacent pseudo-perovskite blocks in the pristine lattice. Strain and vacancy redistribution further promote the polarization configuration transition by disrupting charge compensation. These findings provide mechanistic insights into defect-modulated ferroelectricity and suggest a new approach for designing high-performance devices through strain and defect engineering.
{"title":"Defect-driven polarization reconfiguration in Bi3.15Nd0.85Ti3O12 film","authors":"Xiaobo Yu , Zhenyou Li , Yang Bai , Qinghua Zhang , Peng Chen , Hong Zhao , Lin Gu , Qian Zhan","doi":"10.1016/j.scriptamat.2025.117121","DOIUrl":"10.1016/j.scriptamat.2025.117121","url":null,"abstract":"<div><div>The physical origin of controlling ferroelectric properties in defect-engineered Aurivillius-phase layered materials lies in the local polarization evolution mediated by structural defects. Nevertheless, the role of widely prevalent out-of-phase boundary (OPB) defects in configuring polarization remains unclear. This study uses Bi<sub>3.15</sub>Nd<sub>0.85</sub>Ti<sub>3</sub>O<sub>12</sub> film, optimized with a HfO<sub>2</sub> buffer layer, as a model system to elucidate the intrinsic mechanism behind the enhanced local polarization within the OPB defect regions. Atomic-scale quantitative analysis reveals that OPB defects enhance the in-plane displacement of B-site cations and co-align their out-of-plane polarization directions within the perovskite layers. This reconfiguration disrupts the intrinsic antipolar ordering by eliminating the antiparallel alignment of out-of-plane dipoles between adjacent pseudo-perovskite blocks in the pristine lattice. Strain and vacancy redistribution further promote the polarization configuration transition by disrupting charge compensation. These findings provide mechanistic insights into defect-modulated ferroelectricity and suggest a new approach for designing high-performance devices through strain and defect engineering.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"274 ","pages":"Article 117121"},"PeriodicalIF":5.6,"publicationDate":"2025-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145684055","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}
We developed a deep learning (DL) framework based on convolutional neural networks (CNNs) to predict elastic constants of hexagonal materials by leveraging high image-recognition capability of CNNs. Resonant frequency data were converted into three-channel RGB images, referred to as ”elasticity images” for CNN training. Without mode identification, the trained models accurately predicted all five independent elastic constants. We reveal that the average Young modulus is a critical for classification of hexagonal materials based on their elasticity images. Furthermore, we extended the Blackman diagram, originally developed for cubic crystals, to hexagonal systems, enabling a substantial reduction of five-dimensional elastic-constant space. We then established a two-step DL scheme: first, classification using the average Young modulus, followed by regression of the five elastic constants in the classified average-Young-modulus class. The prediction error was approximately 5 % for the principal elastic constants and 1.5 % for the average Young modulus.
{"title":"Two-step deep learning for decoding elastic constants of hexagonal-symmetry materials from resonant-spectrum image","authors":"Kazuya Kohira , Shota Nakamura , Hiroki Fukuda , Kazuhiro Kyotani , Hirotsugu Ogi","doi":"10.1016/j.scriptamat.2025.117115","DOIUrl":"10.1016/j.scriptamat.2025.117115","url":null,"abstract":"<div><div>We developed a deep learning (DL) framework based on convolutional neural networks (CNNs) to predict elastic constants of hexagonal materials by leveraging high image-recognition capability of CNNs. Resonant frequency data were converted into three-channel RGB images, referred to as ”elasticity images” for CNN training. Without mode identification, the trained models accurately predicted all five independent elastic constants. We reveal that the average Young modulus is a critical for classification of hexagonal materials based on their elasticity images. Furthermore, we extended the Blackman diagram, originally developed for cubic crystals, to hexagonal systems, enabling a substantial reduction of five-dimensional elastic-constant space. We then established a two-step DL scheme: first, classification using the average Young modulus, followed by regression of the five elastic constants in the classified average-Young-modulus class. The prediction error was approximately 5 % for the principal elastic constants and 1.5 % for the average Young modulus.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"274 ","pages":"Article 117115"},"PeriodicalIF":5.6,"publicationDate":"2025-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145684056","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 : 2025-12-02DOI: 10.1016/j.scriptamat.2025.117117
Xiang Lu , Wenlong Wang , Pingping Zhao , Qingke Zhang , Cheng Xu , Yuanxiang Zhang , Qiangfei Hu , Lijing Yang , Zhenlun Song
In this study, the corrosion process of Cu-30 %Ni alloys in acidic NaCl solution was investigated by a quasi-in-situ method. The grain boundaries and twinned regions were two preferentially corroded sites. The adjacent grains of the preferentially corroded grain boundaries generally formed non-Σ3 high-angle grain boundaries. Their lattice misorientation angle rather than the surface orientation determined the intergranular corrosion susceptibility. By comparison, the preferentially corroded twinned regions were governed by the surface orientation of the twin and adjacent matrix. The large surface crystal planes deviation angle resulted in high corrosion susceptibility. Based on these observations, the corrosion behavior of polycrystalline material is predicted by computational models. The results showed that the intergranular corrosion susceptibility is similar for different matrix textures, but a high intragranular corrosion susceptibility is found in the twin-containing {100} grains. Thus, dominant twin-containing {100} grains should be avoided in Cu-Ni alloys in order to obtain high corrosion resistance.
{"title":"Investigation into the effect of adjacent crystallographic orientations on corrosion behavior in single-phase copper-nickel alloys by quasi-in-situ method","authors":"Xiang Lu , Wenlong Wang , Pingping Zhao , Qingke Zhang , Cheng Xu , Yuanxiang Zhang , Qiangfei Hu , Lijing Yang , Zhenlun Song","doi":"10.1016/j.scriptamat.2025.117117","DOIUrl":"10.1016/j.scriptamat.2025.117117","url":null,"abstract":"<div><div>In this study, the corrosion process of Cu-30 %Ni alloys in acidic NaCl solution was investigated by a quasi-in-situ method. The grain boundaries and twinned regions were two preferentially corroded sites. The adjacent grains of the preferentially corroded grain boundaries generally formed non-Σ3 high-angle grain boundaries. Their lattice misorientation angle rather than the surface orientation determined the intergranular corrosion susceptibility. By comparison, the preferentially corroded twinned regions were governed by the surface orientation of the twin and adjacent matrix. The large surface crystal planes deviation angle resulted in high corrosion susceptibility. Based on these observations, the corrosion behavior of polycrystalline material is predicted by computational models. The results showed that the intergranular corrosion susceptibility is similar for different matrix textures, but a high intragranular corrosion susceptibility is found in the twin-containing {100} grains. Thus, dominant twin-containing {100} grains should be avoided in Cu-Ni alloys in order to obtain high corrosion resistance.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"274 ","pages":"Article 117117"},"PeriodicalIF":5.6,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145652003","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}
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