中国科学院机构知识库网格系统: 检索

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	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
	Cluster Hardening Effects on Twinning in Mg-Zn-Ca Alloys 期刊论文 OAI收割 METALS, 2022, 卷号: 12, 期号: 4, 页码: 10 作者: Liu, Ruixue; Wang, Jie; Wang, Leyun; Zeng, Xiaoqin; Jin, Zhaohui \| 收藏 \| 浏览/下载：30/0 \| 提交时间：2022/07/01 Mg-Zn-Ca alloy twin boundary solute cluster hardening molecular dynamics simulation
	Structures and energetics of multiple helium atoms in a tungsten monovacancy 期刊论文 OAI收割 JOURNAL OF NUCLEAR MATERIALS, 2022, 卷号: 561 作者: Song, Chi; Hou, Jie; Kong, Xiang-Shan; Chen, L.; Wang, Sake \| 收藏 \| 浏览/下载：34/0 \| 提交时间：2022/12/23 Helium cluster Vacancy Tungsten Atomistic structure ab initio molecular dynamics
	The effects of Fe substrate orientations on Cu-55 cluster deposition with different incident energies 期刊论文 OAI收割 NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 2021, 卷号: 496, 页码: 52-60 作者: He, Yiwen; Zhang, Shixu; He, Luanxuan; Wang, Xuejian; Zheng, Zhijun \| 收藏 \| 浏览/下载：42/0 \| 提交时间：2021/12/09 Molecular dynamics simulation Cu-55 cluster Deposition Crystal orientation Fe substrates
	Effect of H on the formation of vacancy dislocation loops in alpha-Fe 期刊论文 OAI收割 JOURNAL OF NUCLEAR MATERIALS, 2020, 卷号: 542 作者: Pan, Xin-Dong; Lu, Tao; Lyu, Yi-Ming; Xu, Yu-Ping; Zhou, Hai-Shan \| 收藏 \| 浏览/下载：83/0 \| 提交时间：2020/12/28 Hydrogen alpha-Fe Vacancy cluster Dislocation loop Molecular dynamics
	Modification to solution-diffusion model for performance prediction of nanofiltration of long-alkyl-chain ionic liquids aqueous solutions based on ion cluster 期刊论文 OAI收割 GREEN ENERGY & ENVIRONMENT, 2020, 卷号: 5, 期号: 1, 页码: 105-113 作者: Qian, Jianguo; Yan, Ruiyi; Liu, Xiaomin; Li, Chunshan; Zhang, Xiangping \| 收藏 \| 浏览/下载：26/0 \| 提交时间：2020/05/06 Solution-diffusion model Nanofiltration Long-alkyl-chain ionic liquid Molecular dynamic simulation Ion cluster
	Ceria-supported ruthenium clusters transforming from isolated single atoms for hydrogen production via decomposition of ammonia 期刊论文 OAI收割 APPLIED CATALYSIS B-ENVIRONMENTAL, 2020, 卷号: 268, 页码: - 作者: Hu, XC; Fu, XP; Wang, WW; Wang, X; Wu, K \| 收藏 \| 浏览/下载：41/0 \| 提交时间：2021/09/06 INITIO MOLECULAR-DYNAMICS COX-FREE HYDROGEN SELECTIVE SYNTHESIS GOLD NANOPARTICLES NH3 DECOMPOSITION STABLE CATALYSTS CARBON NANOTUBES RU NANOPARTICLES OXIDE CLUSTER METAL
	Construction of Active Site in a Sintered Copper-Ceria Nanorod Catalyst 期刊论文 OAI收割 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2019, 卷号: 141, 期号: 44, 页码: 17548-17557 作者: Yu, WZ; Wang, WW; Li, SQ; Fu, XP; Wang, X \| 收藏 \| 浏览/下载：143/0 \| 提交时间：2020/10/16 INITIO MOLECULAR-DYNAMICS GAS SHIFT REACTION CO OXIDATION CARBON-MONOXIDE GOLD NANOPARTICLES CUO-CEO2 CATALYSTS CRYSTAL PLANE OXIDE CLUSTER TRANSITION ADSORPTION
	Water oxidation on a mononuclear manganese heterogeneous catalyst 期刊论文 OAI收割 NATURE CATALYSIS, 2018, 卷号: 1, 期号: 11, 页码: 870-877 作者: Guan, JQ; Duan, ZY; Zhang, FX; Kelly, SD; Si, R \| 收藏 \| 浏览/下载：34/0 \| 提交时间：2019/12/17 O BOND FORMATION ELECTROCATALYTIC OXYGEN EVOLUTION COBALT OXIDE NANOPARTICLES PHOTOSYSTEM-II MOLECULAR-DYNAMICS EVOLVING COMPLEX HIGHLY EFFICIENT CLUSTER MODEL PHOTOSYNTHESIS