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浏览/检索结果: 共60条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择提交时间升序提交时间降序发表日期升序发表日期降序题名升序题名降序作者升序作者降序 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  |   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  |   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  |   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  |   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  |   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  |   Investigating the property and strength of intermolecular interaction in saturated and unsaturated cyclic cations constructed ionic liquids 期刊论文  OAI收割 Journal of Molecular Liquids, 2021, 卷号: 335 作者:  Zhang, Tao;  Ding, Wei-Lu;  Zhang, Yaqin;  Bi, Kailun;  Lu, Yumiao   |  收藏  |   Novel atomic-scale mechanism of incipient plasticity in a chemically complex CrCoNi medium-entropy alloy associated with inhomogeneity in local chemical environment 期刊论文  OAI收割 ACTA MATERIALIA, 2020, 卷号: 194, 页码: 283-294 作者:  Cao FH(曹富华);  Wang YJ(王云江);  Dai LH(戴兰宏)   |  收藏  |   Raman Spectroscopic and Theoretical Study of Scandium Fluoride and Oxyfluoride Anions in Molten FLiNaK 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY B, 2020, 卷号: 124, 期号: 30, 页码: 6671-6678 作者:  Wang, CY;  Chen, XT;  Wei, R;  Gong, Y   |  收藏  |   Synthesis of Macromolecular Aromatic Epoxy Resins as Anticorrosive Materials: Computational Modeling Reinforced Experimental Studies 期刊论文  OAI收割 ACS OMEGA, 2020, 卷号: 5, 期号: 7, 页码: 3151-3164 作者:  Dagdag, Omar;  Safi, Zaki;  Qiang, Yujie;  Erramli, Hamid;  Guo, Lei   |  收藏  |