机译:使用大规模从头算分子动力学模拟的SiC中离子-固体相互作用增强缺陷的电荷转移
Pacific Northwest National Laboratory, P. O. Box 999, Richland, Washington 99352, USA;
Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu, 610054, China;
Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu, 610054, China;
Forschungszentrum Dresden-Rossendorf Institute of Ion Beam Physics and Materials Research, D-01314 Dresden, Germany;
Pacific Northwest National Laboratory, P. O. Box 999, Richland, Washington 99352, USA;
interactions of particles and radiation with matter; charge transfer; ion-molecule; ion-ion; and charge-transfer reactions;
机译:从头算分子动力学模拟Gd2Zr2O7和Gd2Ti2O7中的离子-固体相互作用
机译:SiC衬底上石墨烯生长的原子机理:基于新的电荷转移键序型电势的大规模分子动力学模拟
机译:石墨烯生长对SiC衬底的原子制造机制:基于新的电荷转移键序型电位的大规模分子动力学模拟
机译:水在硅藻土中扩散的分子动力学模拟:基于从头算的相互作用
机译:通过使用力场和从头算分子动力学模拟研究氢键相互作用。
机译:不可极化的无机盐溶液界面:NaClNaBr和NaI在可转移的分子间电势4点中具有电荷依赖性极化率(TIP4P-QDP)的分子动力学模拟
机译:石墨烯生长对SiC衬底的原子制造机制:基于新的电荷转移键序型电位的大规模分子动力学模拟