Computational Materials Science最新文献

{"title":"Atomistic informed phase-field modeling of edge dislocation evolution in Σ3, Σ9, and Σ19 silicon bi-crystals","authors":"Armin Sabetghadam-Isfahani,&nbsp;Mahdi Javanbakht,&nbsp;Mohammad Silani","doi":"10.1016/j.commatsci.2025.113893","DOIUrl":"10.1016/j.commatsci.2025.113893","url":null,"abstract":"<div><div>A phase-field method is utilized to investigate the progression of dislocations in silicon bi-crystals under shear stresses at different temperatures. The study main feature is that the primary parameters of the phase field model such as the Burgers vector, the slip system height, and the distance between the dislocation cores are derived from molecular dynamics simulations at different temperatures. These calculations exhibit close alignment with existing theoretical predictions and unlike previous models, lead to a more physical dislocation growth. Due to the generation of dislocation pileup at one grain and consequently, the high stress concentration at the grain boundary, two titled slip systems at <span><math><mrow><mo>±</mo><msup><mrow><mn>30</mn></mrow><mi>o</mi></msup></mrow></math></span> appear in the adjacent grain, along with the amorphization near the grain boundary. Here, the number of dislocations for each slip system is calculated using both the molecular dynamics and phase field methods for different temperatures and under different applied shear stresses and a good agreement between their results is found. As result, the number of dislocations enhances as the temperature or the applied shear increases but not proportionally for all the slip systems. This is evidenced by a reduction in attraction forces and changes in atomic arrangement. The transformation work fields resolved by the phase field method are also compared among three silicon structures. Additionally, a parallel set of slip systems was analyzed, where different dislocations slide over each other, resulting in highly dense pileups along the grain boundary. Out of the three structures that were examined, the ∑19 structure shows the most prominent changes in atomic structure, indicating a higher propensity for such changes in equivalent conditions. The survey also confirms that all the samples under study retain structural stability within the working temperature range of 100 K to 600 K. However, as the temperature exceeds 600 K, the system loses its stability. Also, increasing the applied shear stress shows a higher impact on the ∑19 structure. Consequently, both embedded external shear stress, and working temperature are identified as critical factors influencing the dislocation evolution in silicon bi-crystals.</div></div>","PeriodicalId":10650,"journal":{"name":"Computational Materials Science","volume":"254 ","pages":"Article 113893"},"PeriodicalIF":3.1,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143848617","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}

{"title":"Thermal transport properties of monolayer hexagonal group-III nitrides: A comparative first principles investigation","authors":"Ning Zhang ,&nbsp;Xiumin Yu ,&nbsp;Weibo Shi ,&nbsp;Jian Zhang ,&nbsp;Zhonglu Guo ,&nbsp;Fanbin Meng ,&nbsp;Chengchun Tang","doi":"10.1016/j.commatsci.2025.113906","DOIUrl":"10.1016/j.commatsci.2025.113906","url":null,"abstract":"<div><div>Monolayer hexagonal group-III nitrides have drawn increasing attention because of their great application potential in electronic and energy devices, which are inevitably involved with thermal transport. Hence, in this work, we performed a comparative study of the thermal transport properties of <em>h</em>-MN monolayers by integrating the Boltzmann transport equation and the Wigner transport equation with first principles calculations. The results show that the phonons are gradually becoming softer from <em>h</em>-BN to <em>h</em>-InN with a significant phonon frequency gap appearing in <em>h</em>-AlN, <em>h</em>-GaN, and <em>h</em>-InN, which originates from the varied bonding strength and atomic mass. Then, we highlighted that <em>h</em>-InN exhibits an ultra-low thermal conductivity of 8.5–9.4 W/mK at 300 K, which is in sharp contrast to that of <em>h</em>-BN despite their similar planar structures. Meanwhile, with the order from <em>h</em>-BN, <em>h</em>-AlN, <em>h</em>-GaN to <em>h</em>-InN, the contributions of acoustic branches to thermal conductivity significantly decrease, while the contributions of optical branches increase. Further comparative analysis on heat capacities, group velocities, phonon lifetime, and phonon anharmonicity were employed to illuminate the underlying variation mechanism of the thermal conductivity of <em>h</em>-MN monolayers. Last but not least, an electronic level insight was proposed that the unpaired lone-pair valence electrons and significant polarized In-N and Ga-N bonds will lead to their increased phonon anharmonicities and lower thermal conductivities than that of <em>h</em>-BN. We believe this work will provide a fundamental guideline for the rational design of monolayer group-III nitrides and related devices in terms of thermal transport.</div></div>","PeriodicalId":10650,"journal":{"name":"Computational Materials Science","volume":"254 ","pages":"Article 113906"},"PeriodicalIF":3.1,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143844649","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}

{"title":"Dependence of etching resistance properties on different crystal orientation of sapphire in fluorine-based environment","authors":"Lu Hu,&nbsp;Lei Zhang,&nbsp;Zhengang Yuan,&nbsp;Tun Wang,&nbsp;Ying Shi","doi":"10.1016/j.commatsci.2025.113901","DOIUrl":"10.1016/j.commatsci.2025.113901","url":null,"abstract":"<div><div>Alumina have been widely applied as the first generation etching resistance ceramics materials, but their etching behavior and related mechanism were not investigated at atomic level in detail. In this paper, the etching-resistance performance of α-Al₂O₃ single crystal on the (11 <span><math><mover><mrow><mn>2</mn></mrow><mrow><mo>¯</mo></mrow></mover></math></span> 0), (0001), and (11 <span><math><mover><mrow><mn>0</mn></mrow><mrow><mo>¯</mo></mrow></mover></math></span> 2) planes (refer to A, C, R plane) were explored theoretically and experimentally. The first principle calculation was adapted to evaluate the adsorption energy of F and CF₃ radical on the three crystal planes with different orientations respectively. The results indicated that the C-plane oriented adsorption structure was the most stable. Then, the reaction energy barriers required to dissociate CF₃ radicals from the surface to form Al-F bonds were calculated to be 0.78, 0.71 and 0.82 eV, respectively, which further indicated that the C-plane was more prone to fluorinate to form AlF_xO_y on the surface, and the energy required to remove AlF₃ achieved the highest value of 6.15 eV, which relatively prevented the erosion to continue further. Meanwhile, the polished sapphire surfaces with (11 <span><math><mover><mrow><mn>2</mn></mrow><mrow><mo>¯</mo></mrow></mover></math></span> 0), (0001) and (11 <span><math><mover><mrow><mn>0</mn></mrow><mrow><mo>¯</mo></mrow></mover></math></span> 2) orientations were etched in SF₆ atmosphere to examine the etching-resistance performance. It was demonstrated that the C-plane exhibited the best surface quality and the lowest etching rate after fluorine-based plasma etching, while the R-plane exhibited significantly worse plasma etching resistance than that of the C-plane and A-plane. The experimental results were in good agreement with the DFT calculation.</div></div>","PeriodicalId":10650,"journal":{"name":"Computational Materials Science","volume":"254 ","pages":"Article 113901"},"PeriodicalIF":3.1,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143848615","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}

{"title":"Molecular dynamics analysis of effects of Ca2+ contaminant concentrations on proton exchange membrane transport performance for proton exchange membrane fuel cells","authors":"Yihuizi Li,&nbsp;Yujia Yang,&nbsp;Jiawen Li,&nbsp;Jun Chu,&nbsp;Qiong Hou,&nbsp;Jinzhu Tan","doi":"10.1016/j.commatsci.2025.113896","DOIUrl":"10.1016/j.commatsci.2025.113896","url":null,"abstract":"<div><div>Components of proton exchange membrane fuel cells (PEMFCs), such as bipolar plates, gaskets, etc., may undergo deterioration and generate metal ions during long-term operation. Metal ion contaminants can damage PEMFCs. This study uses molecular dynamics (MD) simulation to explore the impact of metal ion (i.e. calcium ion) and its concentrations on transportation performance of proton exchange membrane (PEM). Six levels of Ca²⁺ concentrations (i.e. 0 %, 10 %, 20 %, 25 %, 30 % and 35 %）are used in this work. Six molecular dynamics simulation models containing Nafion212 membrane polymer chains, water molecules, hydronium ions and calcium ions are built corresponding to the six concentrations of calcium ion for MD simulations. Then, the radial distribution functions (RDFs), coordination numbers (CNs), mean square displacements (MSDs) and diffusion coefficients (Ds), relative concentration distributions (RCs) of water molecules (H₂O), hydronium ions (H₃O⁺) and Ca²⁺ in Nafion212 membrane are analyzed to study the effects of Ca²⁺ and its concentrations on PEM performance by MD simulation methods. Results show that compared with protons, calcium ions have a stronger interaction with sulfonic acid groups and are more easily attracted to sulfonic acid groups. Calcium ion significantly weakens transport of protons and water molecules in Nafion membrane, and the effect becomes more serious as Ca²⁺ concentration increases.</div></div>","PeriodicalId":10650,"journal":{"name":"Computational Materials Science","volume":"254 ","pages":"Article 113896"},"PeriodicalIF":3.1,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143844647","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}

{"title":"A multiscale approach for enhancement mechanism of amorphous-carbon interphase on C/C composites","authors":"Dongmei Zhao ,&nbsp;Lingzhi Cong ,&nbsp;Mingyi Tan ,&nbsp;Xinghong Zhang ,&nbsp;Yuhang Jing","doi":"10.1016/j.commatsci.2025.113876","DOIUrl":"10.1016/j.commatsci.2025.113876","url":null,"abstract":"<div><div>Interphase plays a significant role in composite materials, which could be optimized to enhance the mechanical properties of composites. This paper proposes a multi-scale strategy based on Molecular Dynamics (MD) and Finite Element Method (FEM) to investigate the enhancement mechanism of amorphous carbon (a-C) interphase in C/C woven composites. Firstly, at the micro-scale, MD simulations are conducted to evaluate the influence of density and thickness of the a-C interphase to the C/C micro representative volume element (micro-RVE). Further, at the meso-scale, FEM simulations with the 3D Hashin damage and the maximum stress criterion are conducted to evaluate the damage evolution and the effective mechanical properties of the woven composites. Comprehensive multiscale simulations reveal that the microstructure and interphase property of the a-C interphase significantly impact the micro-RVE of C/C composite at the microscopic level, which would influence the effective mechanical property of the meso-RVE of C/C woven composites.</div></div>","PeriodicalId":10650,"journal":{"name":"Computational Materials Science","volume":"254 ","pages":"Article 113876"},"PeriodicalIF":3.1,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143844648","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}

{"title":"A phase-field model for simulating detwinning in nanotwinned materials","authors":"Yixi Shen ,&nbsp;Irene J. Beyerlein","doi":"10.1016/j.commatsci.2025.113868","DOIUrl":"10.1016/j.commatsci.2025.113868","url":null,"abstract":"<div><div>Nanotwins are nanostructures commonly observed in sputtered single-element and alloyed metals with low stacking fault energy. Nanotwins can improve several material and functional properties but are susceptible to detwinning under sufficiently elevated temperatures. In this work, we present an anisotropic multi-phase phase field model with fully variational evolution to treat the large boundary energy differences characteristic of nanotwinned structures in face centered cubic materials. This model formulation is first verified and validated against MD simulation, theory, and experiment. Using the model, we study the processes of grain boundary detachment and subsequent detwinning of nanotwins with thicknesses ranging from 1 nm to 15 nm under annealing temperatures at and below 700K. The simulations reveal that nanotwin migration velocity depends strongly on nanotwin thickness and annealing temperature, with thinner nanotwins and higher temperatures promoting faster migration. We further establish a connection between boundary thermodynamics and microstructural evolution. In particular, a tapered morphology for the nanotwin tip during detwinning emerges as a signature of high incoherent twin boundary energy, higher mobility, and lower thermal stability.</div></div>","PeriodicalId":10650,"journal":{"name":"Computational Materials Science","volume":"254 ","pages":"Article 113868"},"PeriodicalIF":3.1,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143834589","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}

{"title":"Hyperparameter optimization and neural architecture search algorithms for graph Neural Networks in cheminformatics","authors":"Ali Ebadi,&nbsp;Manpreet Kaur,&nbsp;Qian Liu","doi":"10.1016/j.commatsci.2025.113904","DOIUrl":"10.1016/j.commatsci.2025.113904","url":null,"abstract":"<div><div>Cheminformatics, an interdisciplinary field bridging chemistry and information science, leverages computational tools to analyze and interpret chemical data, playing a critical role in drug discovery, material science, and environmental chemistry. Traditional methods, reliant on rule-based algorithms and expert-curated datasets, face challenges in scalability and adaptability. Recently, machine learning and deep learning have revolutionized cheminformatics by offering data-driven approaches that uncover complex patterns in vast chemical datasets, advancing molecular property prediction, chemical reaction modeling, and de novo molecular design. Among the most promising techniques are Graph Neural Networks (GNNs), which have emerged as a powerful tool for modeling molecules in a manner that mirrors their underlying chemical structures. Despite their success, the performance of GNNs is highly sensitive to architectural choices and hyperparameters, making optimal configuration selection a non-trivial task. Neural Architecture Search (NAS) and Hyperparameter Optimization (HPO) are crucial for improving GNN performance, but the complexity and computational cost of these processes have traditionally hindered progress. This review examines various strategies for automating NAS and HPO in GNNs, highlighting their potential to enhance model performance, scalability, and efficiency in key cheminformatics applications. As the field evolves, automated optimization techniques are expected to play a pivotal role in advancing GNN-based solutions in cheminformatics.</div></div>","PeriodicalId":10650,"journal":{"name":"Computational Materials Science","volume":"254 ","pages":"Article 113904"},"PeriodicalIF":3.1,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143838784","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}

{"title":"A high accuracy machine-learning potential model for Mo-Re binary alloy","authors":"ZhiPeng Sun ,&nbsp;YiNan Wang ,&nbsp;WenJie Li ,&nbsp;Xi Qiu ,&nbsp;Ben Xu ,&nbsp;XiaoYang Wang","doi":"10.1016/j.commatsci.2025.113870","DOIUrl":"10.1016/j.commatsci.2025.113870","url":null,"abstract":"<div><div>Molybdenum is a promising candidate material for advanced nuclear reactors. However, its application in nuclear energy facilities is limited by its intrinsic brittleness, a common characteristic of body-centered cubic transition metals, which often exhibit poor plasticity and workability. The addition of Re to Mo can exploit the “Re softening effect” to enhance plasticity. To better understand the physical origin of this effect and explore the nanoscale atomistic mechanisms in Mo-Re alloys under service conditions, atomic-scale simulation methods, such as molecular dynamics (MD), are widely used as a complementary theoretical tool to experimental studies. However, the reliability of MD simulations is constrained by the limitations of existing empirical interatomic potentials. To address this challenge, this study employs state-of-the-art deep-potential methods to develop a machine learning-based interatomic potential for Mo-Re alloys. This advanced potential model achieves first-principles accuracy across a wide range of material properties, including elastic constants, surface energies, point defects, dislocations, and melting points, within a single potential. It enables high-accuracy atomic-scale simulations and investigations into the microstructural evolution of Mo-Re alloys under complex multi-field coupling conditions (irradiation, heat, and stress), which will establish the theoretical foundation for understanding the Re softening effect.</div></div>","PeriodicalId":10650,"journal":{"name":"Computational Materials Science","volume":"254 ","pages":"Article 113870"},"PeriodicalIF":3.1,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143834588","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}

{"title":"Effect of Nb element on onset of deformation-induced martensitic transformation in iron: Insight from molecular dynamics simulations","authors":"Hao Sun ,&nbsp;Jianfeng Jin ,&nbsp;Weiyao Liang ,&nbsp;Shaojie Li ,&nbsp;Chen Chen ,&nbsp;Mingtao Wang ,&nbsp;Gaowu Qin","doi":"10.1016/j.commatsci.2025.113892","DOIUrl":"10.1016/j.commatsci.2025.113892","url":null,"abstract":"<div><div>Niobium (Nb) is a crucial alloying element in advanced steels, influencing deformation-induced martensitic transformation (DIMT) in advanced high-strength multiphase steels. In this work, molecular dynamics (MD) simulations were used to investigate the effects of Nb on DIMT characteristics in iron, focusing on the onset strain (<span><math><msub><mrow><mi>ε</mi></mrow><mrow><mi>S</mi></mrow></msub></math></span>), final strain (<span><math><msub><mrow><mi>ε</mi></mrow><mrow><mi>F</mi></mrow></msub></math></span>) and complete transformation rate <span><math><mrow><mo>(</mo><msub><mrow><mi>η</mi></mrow><mrow><mi>C</mi></mrow></msub></mrow></math></span>) of DIMT at atomic level. MD simulations reveal that Nb stabilizes residual face-centered cubic (FCC) austenite at 300 K, maintaining approximately 56 vol% austenite with Nb concentrations between 0.05 and 0.4 at.%. Tensile simulations at 300 K for these Nb concentrations show the yield stresses ranging from 7.55GPa to 8.94GPa, attributed to a combination of phase transformation and dislocation mechanisms. Across these Nb concentrations, the <span><math><msub><mrow><mi>ε</mi></mrow><mrow><mi>S</mi></mrow></msub></math></span> remains consistent at approximately 4.34 %, and the <span><math><msub><mrow><mi>η</mi></mrow><mrow><mi>C</mi></mrow></msub></math></span> is about 98 %. The formation of Lomer-Cottrell (LC) dislocations during yielding acts as a precursor for DIMT. Varying Nb content alters the competition between interface- and LC-triggered DIMT mechanisms. These findings provide valuable insights into the role of Nb in controlling DIMT and offer theoretical guidance for designing and developing high-performance Nb-alloyed steels.</div></div>","PeriodicalId":10650,"journal":{"name":"Computational Materials Science","volume":"253 ","pages":"Article 113892"},"PeriodicalIF":3.1,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143828377","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}

{"title":"Effects of surface termination and tensile strain on the thermal conductivity of the Ti3C2Tx MXene","authors":"Jun Jiang,&nbsp;Hao Jin,&nbsp;Ziye Xia,&nbsp;Yitong Zong,&nbsp;Jingwei Sun,&nbsp;Bo Liu","doi":"10.1016/j.commatsci.2025.113890","DOIUrl":"10.1016/j.commatsci.2025.113890","url":null,"abstract":"<div><div>This study investigates the effects of surface termination and tensile strain on the thermal conductivity of Ti₃C₂T_x MXene nanosheets using ReaxFF molecular dynamics (MD) simulations. The results demonstrate that the thermal conductivity of Ti₃C₂O₂ MXene is significantly higher than that of Ti₃C₂(OH)₂ MXene, primarily due to its higher phonon group velocity and longer phonon mean free path (MFP). The presence of <img>OH functional groups in Ti₃C₂(OH)₂ MXene results in reduced thermal conductivity compared to the <img>O groups in Ti₃C₂O₂. This reduction is attributed to high-frequency vibrations of hydrogen atoms, which enhance phonon scattering and suppress low-frequency phonon modes. Furthermore, the thermal conductivity of Ti₃C₂T_x MXenes exhibits a nonmonotonic dependence on the fraction of <img>OH groups. Specifically, it decreases initially with increasing <img>OH content up to a fraction of 0.8, followed by a slight increase at higher concentrations. This behavior is explained by the interplay between phonon scattering and the uniformity of <img>OH group distribution. The application of tensile strain further reduces thermal conductivity by broadening the C-atom projected phonon spectrum and inducing phonon peak splitting, which enhances phonon scattering and shortens phonon lifetime. These findings offer critical insights into the tunability of thermal conductivity in MXenes, providing a foundation for optimizing their performance in applications such as electronics, energy conversion, and thermoelectric devices.</div></div>","PeriodicalId":10650,"journal":{"name":"Computational Materials Science","volume":"253 ","pages":"Article 113890"},"PeriodicalIF":3.1,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143825633","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}