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浏览/检索结果: 共37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发表日期升序发表日期降序提交时间升序提交时间降序作者升序作者降序 Towards fatigue-resistant steels: Interfacial fatigue crack mechanisms in complex inclusions revealed by TEM and atomic simulations 期刊论文  OAI收割 MATERIALS & DESIGN, 2025, 卷号: 253, 页码: 9 作者:  Lyu, Ziyu;  Gu, Chao;  Liu WQ(刘文琦);  Bao, Yanping;  Lian, Junhe   |  收藏  |  浏览/下载：3/0  |  提交时间：2025/06/23 Interface structure  Fatigue  First-principal calculation  Molecular dynamics  Complex inclusion   Machine Learning-Accelerated First-Principles Study of Atomic Configuration and Ionic Diffusion in Li10GeP2S12 Solid Electrolyte 期刊论文  OAI收割 MATERIALS, 2024, 卷号: 17, 期号: 8, 页码: 14 作者:  Qi, Changlin;  Zhou, Yuwei;  Yuan XZ(袁晓泽);  Peng Q(彭庆);  Yang, Yong   |  收藏  |  浏览/下载：24/0  |  提交时间：2024/05/27 Li10GeP2S12 solid electrolyte  first-principles calculation  Ewald-summation-based electrostatic energy  machine learning- and active-learning-based LAsou method  ab initio molecular dynamics   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;  Li, Jiawei   |  收藏  |  浏览/下载：26/0  |  提交时间：2024/04/07 Asphaltene dispersibility  Crude oil viscosity  Molecular dynamics simulation  Density function theory calculation   Molecular dynamics study on the behavior and binding mechanism of target protein Transgelin-2 with its agonist TSG12 for anti-asthma drug discovery 期刊论文  OAI收割 COMPUTERS IN BIOLOGY AND MEDICINE, 2023, 卷号: 153, 页码: 7 作者:  Wu, Leyun;  Wang, Guangpu;  Zhou, Liping;  Mo, Mengxia;  Shi, Yulong   |  收藏  |  浏览/下载：46/0  |  提交时间：2023/04/10 Pharmaceutical sciences  Molecular dynamics simulation  Free energy calculation  Asthma  Target protein  Transgelin-2  Agonist   Molecular dynamics study on the stability of foot-and-mouth disease virus particle in salt solution 期刊论文  OAI收割 MOLECULAR SIMULATION, 2021, 页码: 8 作者:  Li, Chen;  Chen, Wei;  Lin, Xuan   |  收藏  |  浏览/下载：67/0  |  提交时间：2021/08/31 Foot-and-mouth disease virus  saline solution  stability  molecular dynamics simulation  free energy calculation   Experimental and theoretical investigation of the control and balance of active sites on oxygen plasma-functionalized MoSe 2 nanosheets for efficient hydrogen evolution reaction 期刊论文  OAI收割 APPLIED CATALYSIS B-ENVIRONMENTAL, 2021, 卷号: 288 作者:  Xiao, Dezhi;  Bao, De-Liang;  Liang, Xiongyi;  Wang, Ying;  Shen, Jie   |  收藏  |  浏览/下载：53/0  |  提交时间：2021/04/26 Plasma functionalization  Oxygen doping  Ion energy and flux  Molecular dynamics calculation  Hydrogen evolution reaction   High CO2 absorption capacity of metal-based ionic liquids: A molecular dynamics study 期刊论文  OAI收割 GREEN ENERGY & ENVIRONMENT, 2021, 卷号: 6, 期号: 2, 页码: 253-260 作者:  Li, Biwen;  Wang, Chenlu;  Zhang, Yaqin;  Wang, Yanlei   |  收藏  |  浏览/下载：78/0  |  提交时间：2021/08/31 Ionic liquids  CO2 capture  Molecular dynamics simulations  First principle calculation   Theoretical investigation of phonon contributions to thermal expansion coefficients for rare earth monosilicates RE2SiO5 (RE = Dy, Ho, Er, Tm, Yb and Lu) 期刊论文  OAI收割 JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 2020, 卷号: 40, 期号: 7, 页码: 2658-2666 作者:  Li, Yiran;  Wang, Jiemin;  Wang, Jingyang   |  收藏  |  浏览/下载：22/0  |  提交时间：2021/02/02 Rare earth silicate  First-principles calculation  Lattice dynamics  Thermal expansion  Environmental barrier coating   Constraining the in-medium nucleon-nucleon cross section from the width of nuclear giant dipole resonance 期刊论文  OAI收割 PHYSICS LETTERS B, 2020, 卷号: 807, 页码: - 作者:  Wang, R;  Zhang, Z;  Chen, LW;  Ko, CM;  Ma, YG   |  收藏  |  浏览/下载：35/0  |  提交时间：2021/09/06 MICROSCOPIC CALCULATION  DYNAMICS  DISAPPEARANCE  DEPENDENCE  EQUATION  FLOW  COLLISIONS  TRANSPORT  STATE   Study on deuteron formation mechanism in nucleon-induced reactions 期刊论文  OAI收割 NUCLEAR SCIENCE AND TECHNIQUES, 2020, 卷号: 31, 期号: 8, 页码: - 作者:  He, YJ;  Guo, CC;  Su, J;  Zhu, L;  An, ZD   |  收藏  |  浏览/下载：43/0  |  提交时间：2021/09/06 CHARGED-PARTICLE-PRODUCTION  QUANTUM MOLECULAR-DYNAMICS  REACTION CROSS-SECTION  INTRANUCLEAR CASCADE CALCULATION  HEAVY-ION COLLISIONS  65 MEV INCIDENT  H-1(N,GAMMA)H-2 REACTION  COLLECTIVE FLOW  NEUTRONS  ENERGIES