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Molecular dynamics studies on vacancy-interstitial annihilation in silicon

Acta Physica Sinica

Molecular dynamics (MD) simulation is performed to study the vacancy-interstitial annihilation in crystalline silicon. We choose the Stillinger-Weber potential, which is commonly used for silicon, to describe the interaction between atoms. The system is relaxed under 300K and 1400K respectively. We ...

关键词: molecular dynamics;vacancy and interstitial;diffusion;point-defects;diffusion;mechanisms

ELECTRONIC-PROPERTIES OF ONE-DIMENSIONAL QUASI-LATTICES

Zeitschrift Fur Physik B-Condensed Matter

we study the on-site model of a new class of one-dimensional quasiperiodic lattices, for which the substitution rules are B --> BA, and A --> BAB. By means of the renormalization-group approach, a interesting multifractal spectral behavior has been found, which has been confirmed by numerical ...

关键词: energy-spectrum;quasiperiodic lattices;localization problem;trace;maps;fibonacci;quasicrystal;systems;tilings

铜催化炔丙醇酯与β-羰基膦酸酯的不对称[3+2]环加成反应合成手性膦酰化2,3-二氢呋喃

陈修帅 , 侯传金 , 李晴 , 刘彦军 , 杨瑞丰 , 胡向平

催化学报 doi:10.1016/S1872-2067(16)62488-9

手性2,3-二氢呋喃衍生物是一类重要的杂环化合物,广泛存在于天然产物和生物活性分子中.它们也经常被用于手性四氢呋喃化合物的不对称合成.因此,人们发展了很多合成手性2,3-二氢呋喃化合物的方法,如有机小分子催化的多米诺迈克尔-烷基化反应、“中断的”Feist-Bénary反应或改进的 Feist-Bé...

关键词: , 不对称合成 , 3+2环加成 , β-羰基膦酸酯 , 膦酰化 2,3-二氢呋喃

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