机译:Ti原子在TiN(001)上的扩散:从头算和经典分子动力学模拟
Department of Physics, Chemistry and Biology (IFM), Linkoeping University, SE-58183 Linkoeping, Sweden;
Department of Physics, Chemistry and Biology (IFM), Linkoeping University, SE-58183 Linkoeping, Sweden;
Department of Physics, Chemistry and Biology (IFM), Linkoeping University, SE-58183 Linkoeping, Sweden;
Department of Physics, Chemistry and Biology (IFM), Linkoeping University, SE-58183 Linkoeping, Sweden,Department of Materials Science, University of Illinois, Urbana, IL 61801, USA,Department of Physics, University of Illinois, Urbana, IL 61801, USA,Frederick Seitz Materials Research Laboratory, University of Illinois, Urbana, IL 61801, USA;
Department of Physics, Chemistry and Biology (IFM), Linkoeping University, SE-58183 Linkoeping, Sweden,Department of Materials Science, University of Illinois, Urbana, IL 61801, USA,Department of Physics, University of Illinois, Urbana, IL 61801, USA,Frederick Seitz Materials Research Laboratory, University of Illinois, Urbana, IL 61801, USA;
Department of Physics, Chemistry and Biology (IFM), Linkoeping University, SE-58183 Linkoeping, Sweden;
Surface diffusion; Nitrides; Molecular dynamics simulations; Density functional theory;
机译:表面振动对层间传质的影响:从头算分子动力学研究Ti原子/ TiN(001)岛的Ti吸附原子下降途径和速率
机译:表面振动对层间大量运输的影响:TIS / TIN(001)岛的TI ADATOM脑卒中途径的AB ININIO分子动力学研究
机译:氮/ VN(001)表面反应的从头算分子动力学模拟:空位催化的N-2解离化学吸附,N原子迁移和N-2解吸
机译:Ni〜(2+)Adatom扩散对NiO(001)表面的分子动力学模拟研究
机译:非晶态二氧化硅化学机械抛光的经典分子动力学和从头算。
机译:基于链霉亲和素的生物素化配体在人工金属酶中的灵活性-从经典和从头算力场的分子动力学模拟中获得的启示
机译:Ti原子在TiN(001)上的扩散:从头算和经典分子动力学模拟