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	Coexistence simulations of silicate melts and liquid iron and the exchanges of oxygen between the Earth's mantle and core 期刊论文 OAI收割 CHINESE JOURNAL OF GEOPHYSICS-CHINESE EDITION, 2022, 卷号: 65, 期号: 11, 页码: 4249-4258 作者: Zhang ZhiGang; Liu Jin; Zhang YiGang; Li Juan \| 收藏 \| 浏览/下载：18/0 \| 提交时间：2023/03/31 Core-mantle differentiation Silicate melts Liquid iron alloy First principles simulations Deep oxygen Machine learning
	Effects of pressure on the generalized stacking fault energy and twinning propensity of face-centered cubic metals 期刊论文 OAI收割 JOURNAL OF ALLOYS AND COMPOUNDS, 2021, 卷号: 866, 页码: 12 作者: Yan, J. X.; Zhang, Z. J.; Yu, H.; Li, K. Q.; Hu, Q. M. \| 收藏 \| 浏览/下载：38/0 \| 提交时间：2021/10/15 Molecular dynamics simulations First-principles calculations High-pressure High entropy alloy Twinning Phase transitions
	Equilibrium Mg isotope fractionation among aqueous Mg2+, carbonates, brucite and lizardite: Insights from first-principles molecular dynamics simulations 期刊论文 OAI收割 Geochimica et Cosmochimica Acta, 2019, 卷号: 250, 页码: 117-129 作者: Wenzhong Wang; Chen Zhou; Yun Liu; Zhongqing Wu; Fang Huang \| 收藏 \| 浏览/下载：19/0 \| 提交时间：2020/09/21 Mg Isotopes Equilibrium Fractionation Density Functional Theory First-principles Molecular Dynamics Simulations Aqueous mg2+concentration Effect Carbonates Brucite
	Equilibrium Mg isotope fractionation among aqueous Mg2+, carbonates, brucite and lizardite: Insights from first-principles molecular dynamics simulations 期刊论文 OAI收割 Geochimica et Cosmochimica Acta, 2019, 卷号: 250, 页码: 117-129 作者: Wenzhong Wang; Chen Zhou; Yun Liu; Zhongqing Wu; Fang Huang \| 收藏 \| 浏览/下载：19/0 \| 提交时间：2020/12/04 Mg Isotopes Equilibrium Fractionation Density Functional Theory First-principles Molecular Dynamics Simulations Aqueous Mg2++ Concentration Effect Carbonates Brucite
	Numerical simulations for adaptive optics system (EI CONFERENCE) 会议论文 OAI收割 31st Chinese Control Conference, CCC 2012, July 25, 2012 - July 27, 2012, Hefei, China 作者: Wang X.-J. 收藏 \| 浏览/下载：27/0 \| 提交时间：2013/03/25 The simulation methods for the adaptive optics (AO) system are studied. Based on the global structure of the AO system the key principles for each module are first discussed systematically including the wave propagation principles wave-front representation coordinates transformation between the coordinates considered wave-front reconstruction algorithm and DM principles. The purpose of these discussions is to establish the theoretical foundations for the numerical simulations of the AO system. Then the simulation steps are described in detail and a series of numerical simulation results are given which validate the effectiveness of our simulation work. 2012 Chinese Assoc of Automati.
	First principles calculation of elastic and lattice constants of orthorhombic Cu3Sn crystal 期刊论文 OAI收割 Journal of Alloys and Compounds, 2008, 卷号: 466, 期号: 1-2, 页码: 517-520 X. Y. Pang; S. Q. Wang; L. Zhang; Z. Q. Liu; J. K. Shang 收藏 \| 浏览/下载：16/0 \| 提交时间：2012/04/13 Intermetallics Crystal structure Elasticity Computer simulations First principles free solder nanoindentation 1st-principles exchange growth sn
	The first principle studies of the structural and vibrational properties of solid -HMX under compression 期刊论文 OAI收割 Molecular Physics, 2008, 卷号: 106, 期号: 21-23, 页码: 2569-2580 L. Y. Lu; D. Q. Wei; X. R. Chen; D. Lian; G. F. Ji; Q. M. Zhang; Z. Z. Gong 收藏 \| 浏览/下载：26/0 \| 提交时间：2012/04/13 -HMX crystal 1 first principles calculations 3 structure and vibrational 5 frequencies under compression 7-tetranitro-1 beta-cyclotetramethylene tetranitramine 3 generalized gradient 5 approximation 7-te molecular-dynamics simulations electronic-structure