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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 have found that < 111 > is the preferred recombination direction and propose the presence of an energy barrier in the < 110 > direction. From the calculated value of energy barrier along < 110 > we give a reasonable explanation for the difference between Tang's and Zawadzki's data.

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 simulation. A Cantor-like energy spectra is obtained by using the Kohmoto-Kadanaff-Tang (KKT) renormalization-group method. Three kinds of wave-function behavior (extended, localized, and intermediate states) are definitely found.

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

Improved Nonlinear Equation Method for Numerical Prediction of Jominy EndQuench Curves

SONG Yuepeng , LIU Guoquan , LIU Shengxin , LIU Jiantao , FENG Chengming

钢铁研究学报(英文版)

Without considering the effects of alloying interaction on the Jominy endquench curves, the prediction results obtained by YU Baihai′s nonlinear equation method for multialloying steels were different from those experimental ones reported in literature. Some alloying elements have marked influence on Jominy endquench curves of steels. An improved mathematical model for simulating the Jominy endquench curves is proposed by introducing a parameter named alloying interactions equivalent (Le). With the improved model, the Jominy endquench curves of steels so obtained agree very well with the experimental ones.

关键词: Jominy endquench curve;nonlinear equation method;alloying interaction parameter;computer simulation

1998 COMPREHENSIVE TABLE OF CONTENTS

中国腐蚀与防护学报

N。1Atmospheric Corrosivlty for Steels………………………………………………… .LIANG Caideng HO[I i。-tat(6)Caustic Stress Corrosion Cr。king of Alloy 800 Part 2.The Effect of Thiosul执e……………………………………… KONG De-sheng YANG Wu ZHAO Guo-zheng HUANG De.ltL。ZHANG Yu。。he CHEN She。g-bac(13)SERS slid E16CttOCh6iniC81 Stlldy Of Illhibit1Oli M6ch&tllsth Of ThlollY68 Oil ITOll ID H....

关键词:

三维晶粒长大速率方程的大尺度Potts模型Monte Carlo仿真验证

王浩 , 刘国权 , 秦湘阁

金属学报

采用Potts模型Monte Carlo方法对3种现存的三维个体晶粒长大速率拓扑依赖性 方程进行了仿真验证. 结果表明, Rivier速率方程认为晶粒 体积变化率dVf/dt与晶粒面数f成线性关系, 与仿真 结果明显不符, 不适用于描述三维晶粒长大过程的动力 学. 当晶粒面数f≥8时, Yu-Liu速率方程和 MacPherson-Srolovitz速率方程均与仿真结果很好吻合, 表明这两者均可以用来定量描述三维晶粒长大过程的动力学;当 f<8时, 这两个方程均与仿真结果有显著差异.

关键词: 三维晶粒长大 , topology-dependent grain growth rate equation

三维晶粒长大速率方程的大尺度Potts模型Monte Carlo仿真验证

王浩 , 刘国权 , 秦湘阁

金属学报 doi:10.3321/j.issn:0412-1961.2008.01.003

采用Potts模型Monte Carlo方法对3种现存的三维个体晶粒长大速率拓扑依赖性方程进行了仿真验证.结果表明,Rivier速率方程认为晶粒体积变化率dVf/dt与晶粒面数,成线性关系,与仿真结果明显不符,不适用于描述三维晶粒长大过程的动力学.当晶粒面数f≥8时,Yu-Liu速率方程和MacPherson-Srolovitz速率方程均与仿真结果很好吻合,表明这两者均可以用来定量描述三维晶粒长大过程的动力学;当f<8时,这两个方程均与仿真结果有显著差异.

关键词: 三维晶粒长大,拓扑依赖性长大速率方程,Potts模型,Monte Carlo仿真

环保型无卤素膜片开关银浆有机成份的选型研究

李文琳 , 李章炜 , 幸七四 , 张扬

贵金属

膜片开关用银浆制备使用的有机体系中,树脂、溶剂和添加剂对产品的性能和有害元素控制有重要的意义。经对比实悚,以热塑性聚酯为主体树脂,以MEA混合溶剂为溶剂,以YU-201、硅烷偶联剂以及自制增强塑性材料M-17材料为混合添加剂,制成有机载体。使用该载体制备出的浆料符合膜片开关银浆性能要求,且满足欧盟RoHS指标卤素控制要求。

关键词: 复合材料 , 环保型 , 无卤素 , 膜片开关 , 银浆

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