We have performed ab-initio Hartree-Fock molecular orgbital calculations of local atomic structures and chemical bonding states in Si-N covalent amorphous ceramics. Solute elements such as boron, carbon and oxygen were considered in the Si-N network, and the bonding characteristics around the solute...
Theoretical or Mathematical/ aluminium aluminium alloys atomic clusters density functional theory digital simulation metal clusters molecular dynamics method/ Al n-1Li clusters Al n clusters Al n-1Sb clusters density functional theory molecular dynamics simulation triangular faces cluster geometry icosahedral ...
This work focuses on characterizing the integral features of atomic diffusion in Ni/Alnanolaminates based on molecular dynamics (MD) computations. Attention is focused on the simplifiedproblem of extracting the diffusivity, D, in an isothermal system at high temperature. To thisend, a mixing measure...
Influence of oxidation parameters on atomic roughness at the Si‐SiO2 interface The quality of MOS-devices depends strongly on the quality of the interface between Si and SiO 2 . Whereas the chemical composition and electrical properti... PO Hahn,M Henzler - Springer Berlin Heidelberg 被引量: ...
Semi-empirical interatomic potentials have been developed for Al, alpha-Ti, and gamma-TiAl within the embedded atomic method (EAM) by fitting to a large database of experimental as well as ab-initio data. The ab-initio calculations were performed by the linear augmented plane wave (LAPW) meth...
The Atomic Structural Dynamics of γ-Al2O3 Supported Ir−Pt Nanocluster Catalysts Prepared from a Bimetallic Molecular Precursor: A... et al. The atomic structural dynamics of γ-Al2O3 supported Ir-Pt nanocluster catalysts prepared from a bimetallic molecular precursor: a study using ... ...
A linear rf quadrupole Paul ion trap, centred on the MOT, co-traps selected atomic or molecular ions, for example Ca+. Control of the initial ion ... WW Smith,OP Makarov,J Lin - 《Journal of Modern Optics》 被引量: 60发表: 2005年 The slow Ca(2+)-activated K+ current, IAHP, in...
展开 关键词: atomic and molecular physics aluminium ions ion-molecule collisions chemical reactions oxygen ion beams mass spectroscopy beams charged particles collisions 被引量: 61 收藏 引用 批量引用 报错 分享 全部来源 求助全文 ResearchGate osti.gov 相似文献 引证文献Reaction...
Chemical compositions were measured by Inductively Coupled Plasma-Atomic Emission Spectroscopy (ICP-AES) analysis. The chemical analyses were carried out in a Varian 715-ES ICP Optical Emission spectrometer, after the solids were dissolved in HNO3/HCl/HF. Elemental analyses were performed by combustion...
The experimental results suggest that polymeric materials are excellent candidates to be used as substrates in the fabrication of Al2O3 thin films through atomic layer deposition. 展开 DOI: 10.1007/s10854-014-1821-6 年份: 2014 收藏 引用 批量引用 报错 分享...