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浏览/检索结果: 共199条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 Graphical models of dominant topologies of polymer-substrate adhesive-interfacial strength and toughness 期刊论文  OAI收割 ACTA MECHANICA SINICA, 2025, 卷号: 41, 期号: 3, 页码: 11 作者:  王新天洋;  Liao LJ(廖丽涓);  Wu XQ(吴先前);  Huang CG(黄晨光)   |  收藏  |  浏览/下载：8/0  |  提交时间：2024/11/01 Graph theory  Molecular dynamics simulation  Strength and toughness  Highly cross-linked adhesive interface system  Dominant topological characteristics   Graphical models of dominant topologies of polymer-substrate adhesive-interfacial strength and toughness 期刊论文  OAI收割 ACTA MECHANICA SINICA, 2025, 卷号: 41 作者:  Wang, Xintianyang;  Liao, Lijuan;  Wu, Xianqian;  Huang, Chenguang   |  收藏  |  浏览/下载：23/0  |  提交时间：2024/11/20 Graph theory  Molecular dynamics simulation  Strength and toughness  Highly cross-linked adhesive interface system  Dominant topological characteristics   Equivariance is essential, local representation is a need: A comprehensive and critical study of machine learning potentials for tobermorite phases 期刊论文  OAI收割 COMPUTATIONAL MATERIALS SCIENCE, 2025, 卷号: 246, 页码: 14 作者:  Zhu, Keming;  Zhang, Zhibin   |  收藏  |  浏览/下载：3/0  |  提交时间：2024/12/06 Machine learning potential  Tobermorite  Density functional theory  Molecular dynamics   Atomic mechanisms for the fracture of AlMo0.5NbTa0.5TiZr refractory high entropy superalloy 期刊论文  OAI收割 INTERNATIONAL JOURNAL OF PLASTICITY, 2024, 卷号: 183, 页码: 22 作者:  Cao FH(曹富华);  Li HY(李洪毅);  Chen Y(陈艳);  Wang HY(汪海英);  Peng,Zheng   |  收藏  |  浏览/下载：3/0  |  提交时间：2024/12/19 Refractory HEA  Fracture  Crack propagation  Molecular dynamics  Density-functional theory   Recognizing the function of different silane coupling agents on MXene adsorption/barrier behavior in solvent-borne epoxy coatings: Experimental studies, density functional theory, and molecular dynamics simulations 期刊论文  OAI收割 PROGRESS IN ORGANIC COATINGS, 2024, 卷号: 192, 页码: 15 作者:  Pourhashem, Sepideh;  Hadizadeh, Mohammad Hassan;  Ji, Xiaohong;  Zhou, Ziyang;  Duan, Jizhou   |  收藏  |  浏览/下载：2/0  |  提交时间：2024/08/29 Amino-silane functionalized MXene  Nano-SiO2 decorated MXene  Corrosion resistance  Epoxy coating  Density functional theory/molecular dynamics  simulations   Molecular insights into the dispersibility of asphaltene and crude oil rheological properties under the effect of multi-alkylated aromatic amides 期刊论文  OAI收割 CHEMICAL ENGINEERING SCIENCE, 2024, 卷号: 285, 页码: 12 作者:  Zhu, Bojin;  Li, Zhen;  Han, Tiankun;  Yan, Youguo   |  收藏  |  浏览/下载：23/0  |  提交时间：2024/04/07 Asphaltene dispersibility  Crude oil viscosity  Molecular dynamics simulation  Density function theory calculation   Molecular dynamics simulation of the transformation of Fe-Co alloy by machine learning force field based on atomic cluster expansion 期刊论文  OAI收割 CHEMICAL PHYSICS LETTERS, 2023, 卷号: 826, 页码: 6 作者:  Li, Yongle;  Xu, Feng;  Hou, Long;  Sun, Luchao;  Su, Haijun   |  收藏  |  浏览/下载：10/0  |  提交时间：2024/01/07 Molecular dynamics  Atomic cluster expansion  Fe-Co Alloy  Density functional theory  Phase transition  Force field   Interfacial role of Ionic liquids in CO2 electrocatalytic Reduction: A mechanistic investigation 期刊论文  OAI收割 CHEMICAL ENGINEERING JOURNAL, 2023, 卷号: 457, 页码: 10 作者:  Guo, Shuai;  Liu, Yawei;  Wang, Yanlei;  Dong, Kun;  Zhang, Xiangping   |  收藏  |  浏览/下载：0/0  |  提交时间：2023/05/19 Ionic liquids  CO(2 )electrocatalytic reduction reaction  Density functional theory  Transition state  Hydrogen bond  Molecular dynamics simulations   Atomic-Scale Design of Anode Materials for Alkali Metal (Li/Na/K)-Ion Batteries: Progress and Perspectives 期刊论文  OAI收割 ADVANCED ENERGY MATERIALS, 2022, 页码: 29 作者:  Olsson, Emilia;  Yu, Jiale;  Zhang, Haiyan;  Cheng, Hui-Ming;  Cai, Qiong   |  收藏  |  浏览/下载：40/0  |  提交时间：2022/07/14 anodes  density functional theory  lithium-ion batteries  materials design  molecular dynamics  potassium-ion batteries  sodium-ion batteries   A classical density functional approach to depletion interaction of Lennard-Jones binary mixtures 期刊论文  OAI收割 Communications in Theoretical Physics, 2022, 卷号: 74, 期号: 3 作者:  Chen,Yue;  Chen,Wei;  Chen,Xiaosong   |  收藏  |  浏览/下载：29/0  |  提交时间：2022/06/15 molecular simulation  density functional theory  depletion interaction  soft matter physics  colloid–polymer mixtures