Acta MaterialiaPub Date : 2025-06-22DOI: 10.1016/j.actamat.2025.121284
Sizheng Zheng, Xu Hou, Peng Han, Tao Xu, Takahiro Shimada, Jie Wang
{"title":"Tunable Lamb Wave Bandgap Based on 90° Diffuse Domain Walls in Ferroelectric Thin Films","authors":"Sizheng Zheng, Xu Hou, Peng Han, Tao Xu, Takahiro Shimada, Jie Wang","doi":"10.1016/j.actamat.2025.121284","DOIUrl":"https://doi.org/10.1016/j.actamat.2025.121284","url":null,"abstract":"Ferroelectric and piezoelectric thin films hold significant potential for tunable acoustic devices. While the elastodynamic properties of ferroelectric thin films have been studied for various domain structures, the influence of diffuse domain walls on acoustic waves remains unexplored. In this study, using a phase-field perturbation model, the effect of 90° diffuse domain walls on Lamb wave propagation in ferroelectric thin films is investigated. Modal analysis reveals that the local negative shear modulus induces localized shear vibrations within the diffuse domain walls, disrupting the symmetry of Lamb wave mode in ferroelectric thin films. This disruption further leads to strong coupling between distorted symmetric and antisymmetric Lamb modes, resulting in multiple bandgap formations. The bandgaps can be successfully tuned through changing the spacing of domain walls, which can be easily realized by applying external strains or electric fields. In addition, the nonlinear scaling laws are predicted for the bandgaps, which are in good agreement with previous experimental reports. This work suggests an effective method for designing tunable acoustic metamaterials based on ferroelectric thin films.","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"14 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144337645","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Bionic Perception of Surface Adhesion via a Magnetized Spring-like Sensor with Axial Stretchability","authors":"Yuanzhe Liang, Biao Qi, Ming Lei, Yingyi Zhang, Yifan Liu, Yinning Zhou, Jianyi Luo, Bingpu Zhou","doi":"10.1021/acsnano.5c07356","DOIUrl":"https://doi.org/10.1021/acsnano.5c07356","url":null,"abstract":"Perception of surface adhesion is one essential capability of a human fingertip, which is normally realized by touching the target surface with subsequent skin vibrations. However, such functionality is difficult to realize in flexible sensors and robotic systems due to the challenges in axial stretchability with reliable electrical feedback. In this study, we developed a bionic three-dimensional flexible magnetized spring (3D-FMS) that can quantitatively recognize surface adhesion based on electromagnetic induction. Combined with the laser processing with predefined patterns, we show that a raw flexible cube can be converted to highly stretchable spring-like geometry with excellent bidirectional deformation in axial orientation. Furthermore, the mechanical elongation caused by adhesion is critical for the induced voltage signals, allowing us to establish a model that relates adhesion strength with electrical outputs in a linear behavior. Via optimization of the process parameters, the device exhibits tailored stiffness to modulate the sensing sensitivity and working range on demand. With the established interactive interface, the wearable tests and robotic integration demonstrate the potential of the 3D-FMS for adhesion perception as a human fingertip. We expect that the strategy will offer a valuable reference to explore 3D wearable devices that advances robotic systems with more bionic functions such as stickiness determination.","PeriodicalId":21,"journal":{"name":"ACS Nano","volume":"7 1","pages":""},"PeriodicalIF":17.1,"publicationDate":"2025-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144340912","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
IntermetallicsPub Date : 2025-06-21DOI: 10.1016/j.intermet.2025.108888
Rongtian Cao, Jianlin Lu, Zhongsheng Yang, Songyu Wang, Lei Wang, Junjie Li, Zhijun Wang, Jincheng Wang, Feng He
{"title":"Minimal Al promotes dual-superlattice precipitates in Ni2.1CoCrFeTa0.2 high entropy alloy with excellent tensile properties","authors":"Rongtian Cao, Jianlin Lu, Zhongsheng Yang, Songyu Wang, Lei Wang, Junjie Li, Zhijun Wang, Jincheng Wang, Feng He","doi":"10.1016/j.intermet.2025.108888","DOIUrl":"10.1016/j.intermet.2025.108888","url":null,"abstract":"<div><div>L1<sub>2</sub> and D0<sub>22</sub> superlattices have shown excellent strengthening effects and good thermal stability in high entropy alloys (HEA). Cooperating these two precipitates in one alloy has been proved promising in enhancing the comprehensive properties. However, design of the dual-superlattice precipitates in HEAs is still challenging due to unexplored interactions between the L1<sub>2</sub> and D0<sub>22</sub> phases during thermal aging. Here, we showed that addition of minimal L1<sub>2</sub>-forming Al (0.5 at. %) led to L1<sub>2</sub>-D0<sub>22</sub> dual superlattice precipitates in Ni<sub>2.1</sub>CoCrFeTa<sub>0.2</sub>. Our results showed that as the content of Al increases from 0 to only 1 at. %, the dominant precipitates in Ni<sub>2.1</sub>CoCrFeTa<sub>0.2</sub> changed from single D0<sub>22</sub> phase to L1<sub>2</sub>-D0<sub>22</sub> dual phases, and finally single L1<sub>2</sub> phase. Samples were annealed at different temperatures ranging from 650 °C to 750 °C. When the temperature is higher than 700 °C, D0<sub>22</sub> phase become unstable, the dual-superlattice structure will be disrupted. Superior tensile strength of 1550 MPa and good fracture elongation of 16 % are achieved by aging the (Ni<sub>2.1</sub>CoCrFeTa<sub>0.2</sub>)<sub>99.5</sub>Al<sub>0.5</sub> HEA at 700 °C for 84 h. These insights provide guidance for the design of precipitation-hardened alloys with better mechanical properties.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"185 ","pages":"Article 108888"},"PeriodicalIF":4.3,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144330552","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}
Chengjie Gong , Wenbo Ma , Tong Liu , Yanxiang Zhang , Mufu Yan
{"title":"A comparison analysis on electrical conductivity relaxation methods","authors":"Chengjie Gong , Wenbo Ma , Tong Liu , Yanxiang Zhang , Mufu Yan","doi":"10.1016/j.mseb.2025.118500","DOIUrl":"10.1016/j.mseb.2025.118500","url":null,"abstract":"<div><div>This study compares the Distribution of Characteristic Times (DCT) and ECRTOOLS for analyzing oxygen transport kinetics in mixed ionic-electronic conductors (MIECs). Experimental validation on dense Sr<sub>2</sub>Fe<sub>1.5</sub>Mo<sub>0.5</sub>O<sub>6−</sub><em><sub>δ</sub></em>(SFM)<!--> <!-->under stepwise oxygen partial pressure changes demonstrates that ECRTOOLS, relying on three-dimensional Fickian diffusion and single-mechanism assumptions, fails to accurately fit data. In contrast, DCT converts time-domain relaxation into frequency-domain spectra, resolving multi-mechanistic dynamics via characteristic time distributions. DCT distinguishes surface exchange control (single peak), bulk diffusion control (τ<sub>P1</sub>/τ<sub>P2</sub> = 9), and mixed control (τ<sub>P1</sub>/τ<sub>P2</sub> > 9), achieving lower residuals than ECRTOOLS. While ECRTOOLS yields unphysical parameters violating Biot number consistency, DCT captures synergistic oxygen vacancy-surface exchange interactions. Challenges persist in interpreting non-ideal spectral artifacts and linking peaks to microstructural properties. This work establishes DCT as a superior tool for probing complex transport mechanisms, advancing the design of electrochemical devices like solid oxide fuel cells.<sup>[email protected]</sup></div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"321 ","pages":"Article 118500"},"PeriodicalIF":3.9,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144335690","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Michal Bartošák, Vladimír Mára, Tomáš Vražina, Miroslav Španiel, Ivo Šulák
{"title":"Low-cycle fatigue behaviour of boron-added 9% Cr martensitic steel: Effects of temperature, strain rate, and strain amplitude","authors":"Michal Bartošák, Vladimír Mára, Tomáš Vražina, Miroslav Španiel, Ivo Šulák","doi":"10.1016/j.ijfatigue.2025.109110","DOIUrl":"https://doi.org/10.1016/j.ijfatigue.2025.109110","url":null,"abstract":"The Low-Cycle Fatigue (LCF) behaviour of a boron-added 9% Cr martensitic stainless steel, COST FB2, was investigated at temperatures of 300 <mml:math altimg=\"si64.svg\" display=\"inline\"><mml:mrow><mml:mo>°</mml:mo><mml:mi mathvariant=\"normal\">C</mml:mi></mml:mrow></mml:math>, 600 <mml:math altimg=\"si64.svg\" display=\"inline\"><mml:mrow><mml:mo>°</mml:mo><mml:mi mathvariant=\"normal\">C</mml:mi></mml:mrow></mml:math>, and 650 <mml:math altimg=\"si64.svg\" display=\"inline\"><mml:mrow><mml:mo>°</mml:mo><mml:mi mathvariant=\"normal\">C</mml:mi></mml:mrow></mml:math>. Mechanical strain amplitudes were prescribed between <mml:math altimg=\"si188.svg\" display=\"inline\"><mml:mrow><mml:mn>3</mml:mn><mml:mo linebreak=\"goodbreak\" linebreakstyle=\"after\">×</mml:mo><mml:mn>1</mml:mn><mml:msup><mml:mrow><mml:mn>0</mml:mn></mml:mrow><mml:mrow><mml:mo>−</mml:mo><mml:mn>3</mml:mn></mml:mrow></mml:msup></mml:mrow></mml:math> and <mml:math altimg=\"si63.svg\" display=\"inline\"><mml:mrow><mml:mn>8</mml:mn><mml:mo linebreak=\"goodbreak\" linebreakstyle=\"after\">×</mml:mo><mml:mn>1</mml:mn><mml:msup><mml:mrow><mml:mn>0</mml:mn></mml:mrow><mml:mrow><mml:mo>−</mml:mo><mml:mn>3</mml:mn></mml:mrow></mml:msup></mml:mrow></mml:math>, with four different strain rates ranging from <mml:math altimg=\"si193.svg\" display=\"inline\"><mml:mrow><mml:mn>3</mml:mn><mml:mo>.</mml:mo><mml:mover accent=\"false\"><mml:mrow><mml:mn>3</mml:mn></mml:mrow><mml:mo accent=\"true\">¯</mml:mo></mml:mover><mml:mo linebreak=\"goodbreak\" linebreakstyle=\"after\">×</mml:mo><mml:mn>1</mml:mn><mml:msup><mml:mrow><mml:mn>0</mml:mn></mml:mrow><mml:mrow><mml:mo>−</mml:mo><mml:mn>5</mml:mn></mml:mrow></mml:msup></mml:mrow></mml:math>/s to <mml:math altimg=\"si199.svg\" display=\"inline\"><mml:mrow><mml:mn>1</mml:mn><mml:mo linebreak=\"goodbreak\" linebreakstyle=\"after\">×</mml:mo><mml:mn>1</mml:mn><mml:msup><mml:mrow><mml:mn>0</mml:mn></mml:mrow><mml:mrow><mml:mo>−</mml:mo><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:mrow></mml:math>/s applied at the higher test temperatures. Cyclic softening was observed under all the investigated loading conditions, driven by a reduction in dislocation density and lath coarsening, which became more pronounced at higher strain amplitudes and temperatures. Investigations into the damage mechanisms revealed transgranular cracking as the predominant failure mode, with the frequency of secondary cracks increasing with strain amplitude. At 600 <mml:math altimg=\"si64.svg\" display=\"inline\"><mml:mrow><mml:mo>°</mml:mo><mml:mi mathvariant=\"normal\">C</mml:mi></mml:mrow></mml:math> and 650 <mml:math altimg=\"si64.svg\" display=\"inline\"><mml:mrow><mml:mo>°</mml:mo><mml:mi mathvariant=\"normal\">C</mml:mi></mml:mrow></mml:math>, environmentally assisted cracking and oxidation effects became more significant, especially at higher strain amplitudes and lower loading frequencies. Fatigue lifetime decreased with an increasing temperature and strain amplitude, and a decreasing strain rate. To account for the environmentally as","PeriodicalId":14112,"journal":{"name":"International Journal of Fatigue","volume":"244 1","pages":""},"PeriodicalIF":6.0,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144337731","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}
{"title":"Graphite braced Multi-scale Porous SiOC/Sn Ceramics as Novel Anode Materials for Lithium-Ion Batteries","authors":"Yiling Quan, Xiwen Xia, Peifeng Feng, Wanru Lin, Xuedong Wu, Mingguang Zhang, Kun Liang, Yujie Song, Xigao Jian, Jian Xu","doi":"10.1016/j.electacta.2025.146642","DOIUrl":"https://doi.org/10.1016/j.electacta.2025.146642","url":null,"abstract":"To improve the conductivity and porosity of polymer derived SiOC ceramics, we incorporated graphite into the Sn-containing SiOC precursor (SG), thereby constructing multiscale porous architectures. The introduction of graphite has a dual effect. Firstly, it stabilizes the foam structure of the polymer, and secondly, it acts as a carbon source, promoting the carbothermal reduction of Sn oxide, releasing more gas, and leading to the formation of micropores. As a result, the specific surface area increases from 31 m<sup>2</sup> g<sup>-1</sup> to 68 m<sup>2</sup> g<sup>-1</sup>. The excellent electrical conductivity of graphite and the more stable porous structure brought by the introduction of graphite enhanced the electrochemical performance of the material as an anode, enabling SG to exhibit a high specific capacity of 412.3 mA h g<sup>-1</sup> at 1 A g<sup>-1</sup> while maintaining an outstanding rate performance. Moreover, the material retains a capacity of 341.3 mA h g<sup>-1</sup> even after enduring 1000 cycles at a current density of 1 A g<sup>-1</sup>, demonstrating remarkable cycling stability. The integration of polymer-derived SiOC ceramics with graphite to construct a multi-scale porous strategy paves the way for the practical use of advanced lithium-ion batteries.","PeriodicalId":305,"journal":{"name":"Electrochimica Acta","volume":"244 1","pages":""},"PeriodicalIF":6.6,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144337590","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Materials & DesignPub Date : 2025-06-21DOI: 10.1016/j.matdes.2025.114283
F. Theska , S.R. Street , M. Lison-Pick , M.J. Paul , B. Gludovatz , S. Primig
{"title":"On the mechanisms controlling grain boundary cracking in Ni-based superalloy René 41 with boron and carbon additions","authors":"F. Theska , S.R. Street , M. Lison-Pick , M.J. Paul , B. Gludovatz , S. Primig","doi":"10.1016/j.matdes.2025.114283","DOIUrl":"10.1016/j.matdes.2025.114283","url":null,"abstract":"<div><div>Cast & wrought Ni-based superalloys with the highest alloying contents are designed to endure the harshest environments in gas turbine engines. Their high-temperature properties are unlocked by complex microstructures of a γ-matrix, γ’ precipitates, and various grain boundary (GB) (co–)precipitates, typically GB-γ’, carbides, and/or borides. However, their applications are often limited by GB cracking. Micro-alloying additions of B and C are added to improve GB cohesion but may further promote M<sub>6</sub>C, M<sub>23</sub>C<sub>6</sub>, and M<sub>2</sub>B precipitation in addition to GB-γ’. Three mechanisms known to control GB cracking are mesoscale strains and stresses, the nanoscale structure, and the nanoscale chemical environment of such GB microstructures, but systematic studies are unavailable.</div><div>We aim to advance the limited understanding of the onset of GB cracking in the Ni-based superalloy René 41 by investigating these three mechanisms for GB cracking. In-situ tensile testing reveals a sequence of slip band formation, interface decohesion and the onset of GB cracking. Crystal plasticity finite element modeling shows no direct correlation between equivalent strains and stresses and GB cracking susceptibility. No local nanoscale phase transformations and/or formation of defect structures are detected across interfaces between the γ-matrix and GB-M<sub>2</sub>B, M<sub>6</sub>C, or M<sub>23</sub>C<sub>6</sub>. Atom probe microscopy reveals a correlation between low interfacial excess of B and Mo and severe decohesion at γ-matrix / GB-M<sub>2</sub>B interfaces. In contrast, GB microstructures with GB-γ’ encapsulating GB-M<sub>2</sub>B preserve a high interfacial excess of B and, thus, GB cohesion. A microstructural model summarizes the GB microstructure – property relationship applicable to various similar Ni-based superalloys.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"256 ","pages":"Article 114283"},"PeriodicalIF":7.6,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144338301","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}
Materials LettersPub Date : 2025-06-21DOI: 10.1016/j.matlet.2025.138969
Chengwei Kuang , Fenglin Wang , Dan Wu , Hao Wan , Xiaohe Liu
{"title":"Two-dimensional Ni/C nanosheets derived from metal-organic frameworks for enhanced oxygen evolution reaction","authors":"Chengwei Kuang , Fenglin Wang , Dan Wu , Hao Wan , Xiaohe Liu","doi":"10.1016/j.matlet.2025.138969","DOIUrl":"10.1016/j.matlet.2025.138969","url":null,"abstract":"<div><div>Two-dimensional (2D) metal–organic frameworks (MOFs) nanosheets and their derivatives have drawn great interest due to their ultrathin thickness, large surface areas and accessible active sites. Herein, 2D Ni<sub>2</sub>(NDC)<sub>2</sub>(DABCO) (NDC = 2,6-naphthalenedicarboxylic acid, DABCO = 1,4-diazabicyclo[2.2.2]octane) nanosheets are fabricated by modulator-assisted synthesis. After further pyrolysis treatment, the Ni/C nanosheets exhibit remarkable catalytic activities in the oxygen evolution reaction (OER) with a low overpotential of 293 mV at a current density of 10 mA cm<sup>−2</sup> and a small Tafel slope of 58 mV dec<sup>–1</sup>. This work provides a convenient and effective method for the synthesis of 2D Ni<sub>2</sub>(NDC)<sub>2</sub>(DABCO) nanosheets.</div></div>","PeriodicalId":384,"journal":{"name":"Materials Letters","volume":"398 ","pages":"Article 138969"},"PeriodicalIF":2.7,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144335679","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"High-performance PVDF/Sepiolite composite separator for Li-ion batteries","authors":"Xianghui Ding , Yifan Zhang , Quan Pei , Yiting Tong , Jiafeng Zhai , Changxing Zhao , Yun Ou , Jing Chen , Shuhong Xie","doi":"10.1016/j.mseb.2025.118517","DOIUrl":"10.1016/j.mseb.2025.118517","url":null,"abstract":"<div><div>PVDF has a relatively high polarity leading to better affinity with electrolyte, and its relatively high dielectric constant promotes the dissociation of lithium ions. Sepiolite has a unique fibrous morphology, forming a rich pore structure, which can enhance the specific surface area and thermal stability of separators. In this work, the PVDF/sepiolite composite separator is prepared by electrospinning technology. Benefiting from the high polarity and dielectric constant of PVDF and the special structure of sepiolite, the composite separator reveals excellent electrolyte adsorption and electrochemical performance. It shows a high ionic conductivity (3.04 × 10<sup>-3</sup> S·cm<sup>−1</sup>) and a high lithium-ion transference number (<span><math><mrow><msub><mtext>t</mtext><msup><mrow><mtext>L</mtext><mtext>i</mtext></mrow><mrow><mo>+</mo><mspace></mspace></mrow></msup></msub></mrow></math></span> = 0.781), With excellent rate capacity (110mAh g<sup>−1</sup> even at 5C) and cycle performance (∼165mAh g<sup>−1</sup> after 250 cycles at 0.5C with a capacity retention of 99 %). The thermal stability and electrochemical performance of the composite separator is enhanced by adding appropriate amount of sepiolite.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"321 ","pages":"Article 118517"},"PeriodicalIF":3.9,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144335689","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Huiran Zhang, Mengmeng Dai, Yudian Lin, Baoyu Xu, Pin Wu, Lei Huang, Huanyu Xu, Shengzhou Li, Yan Xu, Zheng Tang, Jincang Zhang, Renchao Che, Tao Xu, Dongbo Dai
{"title":"Subgroup Discovery Similarity Score (SDSS): A Significant Criterion for the Integration of Statistical Knowledge into Machine Learning in Materials Science","authors":"Huiran Zhang, Mengmeng Dai, Yudian Lin, Baoyu Xu, Pin Wu, Lei Huang, Huanyu Xu, Shengzhou Li, Yan Xu, Zheng Tang, Jincang Zhang, Renchao Che, Tao Xu, Dongbo Dai","doi":"10.1016/j.mtphys.2025.101772","DOIUrl":"https://doi.org/10.1016/j.mtphys.2025.101772","url":null,"abstract":"In materials science research, knowledge and machine learning (ML) have a mutually reinforcing relationship. In efforts to improve the ability of learning material datasets, researchers obtain statistical knowledge from ML models and integrate it into subsequent ML models in different ways. However, determining the most suitable method for integrating statistical knowledge into the next stage remains challenging. This limits the precise application of knowledge-driven approaches. In this work, the Subgroup Discovery Similarity Score (SDSS) is proposed as a key criterion for integrating statistical knowledge into ML models. Statistical knowledge is extracted from material datasets by subgroup discovery. In the solid solution strengthening (<span><span style=\"\"></span><span data-mathml='<math xmlns=\"http://www.w3.org/1998/Math/MathML\" />' role=\"presentation\" style=\"font-size: 90%; display: inline-block; position: relative;\" tabindex=\"0\"><svg aria-hidden=\"true\" focusable=\"false\" height=\"0.24ex\" role=\"img\" style=\"vertical-align: -0.12ex;\" viewbox=\"0 -51.7 0 103.4\" width=\"0\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"><g fill=\"currentColor\" stroke=\"currentColor\" stroke-width=\"0\" transform=\"matrix(1 0 0 -1 0 0)\"></g></svg><span role=\"presentation\"><math xmlns=\"http://www.w3.org/1998/Math/MathML\"></math></span></span><script type=\"math/mml\"><math></math></script></span>) dataset, a divide-and-conquer strategy achieves a correlation coefficient of 0.96 and a MAPE of 18.44%, and reveals distinct strengthening mechanisms for the face-centered cubic (FCC) and body-centered cubic (BCC) phases. In the piezoelectric coefficients (<span><span style=\"\"></span><span data-mathml='<math xmlns=\"http://www.w3.org/1998/Math/MathML\" />' role=\"presentation\" style=\"font-size: 90%; display: inline-block; position: relative;\" tabindex=\"0\"><svg aria-hidden=\"true\" focusable=\"false\" height=\"0.24ex\" role=\"img\" style=\"vertical-align: -0.12ex;\" viewbox=\"0 -51.7 0 103.4\" width=\"0\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"><g fill=\"currentColor\" stroke=\"currentColor\" stroke-width=\"0\" transform=\"matrix(1 0 0 -1 0 0)\"></g></svg><span role=\"presentation\"><math xmlns=\"http://www.w3.org/1998/Math/MathML\"></math></span></span><script type=\"math/mml\"><math></math></script></span>) dataset, statistical knowledge is encoded as features and embedded into the ML model for feature enhancement, effectively reducing the prediction error. The results suggest that our framework can extract and integrate statistical knowledge from material datasets into ML models without prior domain knowledge.","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"14 1","pages":""},"PeriodicalIF":11.5,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144335397","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}