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771.
通过拟合Mg的晶格能、晶格常数、弹性常数,并将其与前人的结果相比较后获得了描述Mg的最优长程Finnis-Sinclair(F-S)势函数参数,使用同样方法并引入修正因子后得到了Zn的长程F-S势参数.基于单质Zn,Mg的F-S势参数,进一步拟合合金Mg21Zn25,MgZn2,Mg2Zn11的晶格常数、晶格能获得Zn-Mg原子对的F-S势参数,构建了整套描述Zn-Mg合金的长程F-S势参数.在此
关键词:
长程Finnis-Sinclair势
Zn-Mg合金
分子动力学模拟 相似文献
772.
A method based on higher-order cross-correlation is proposed to fetch the Doppler information on flow velocity within areas under low signal-to-noise ratio (SNR) by spectral domain optical coherence tomography. The proposed method is theoretically developed and validated by measurement of a moving mirror with known velocities. Standard deviations of flow velocities of the mirror under different SNRs are determined by the proposed method and compared with those by the modified phase-resolved method. Measurement of flowing particles within a glass capillary is also conducted, and Doppler flow velocity maps of the glass capillary are reconstructed by both methods. All experimental results demonstrate that the proposed method can significantly suppress noise, thus rendering it suitable for flow measurement under low SNR cases. 相似文献
773.
We propose a self-coupled optical waveguide (SCOW)-based resonator to generate an optical resonance analogous to electromagnetically induced transparency (EIT). The EIT-like effect is formed by the coherent interference between two resonance paths inherent to the SCOW resonator. For cascaded SCOW resonators, the spectrum they produce is significantly affected by the phase shift between them, with the EIT-like peak flattened or split as the two extreme cases. We also investigate the dispersion characteristics of an infinite array of SCOW resonators and show that the dispersion relation and group index in the EIT subband can be greatly changed by a small phase shift between the SCOW resonators. 相似文献
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777.
本文报道了锌、镉、汞、铅硫化物半导体极超微粒子的制备以及它们的光谱性质,比较了它们的粗、细粒子的吸收光谱和荧光光谱的差异,用量子化粒径效应解释了当超微粒子的粒径减小时出现的能级分裂.同时讨论了上述物质的极超微粒子在老化过程中的行为及其原因. 相似文献
778.
正This special issue of Acta Mathematica Scientia is dedicated to Prof.Boling Guo on the occasion of his 80thbirthday.Prof.Guo was born in Longmen town,Xinluo district,Longyan city,Fujian province,China.After graduating from the Longyan No.1 High School,he was admitted into the Department of Mathematics,Fudan University where he worked after graduation until 1963.In 1963,he moved to Beijing Institute of Applied Physics and 相似文献
779.
Dr. Jiaxu Wei Dr. Xijiao Mu Dr. Yang Hu Prof. Liangliang Liu Dr. Xiaoxia Wu Dr. Qingyi Liu Dr. Tong Zhang Prof. Yong Peng Prof. Jing Cao Prof. Chun-Hua Yan Prof. Yu Tang 《Angewandte Chemie (International ed. in English)》2023,62(26):e202302986
Solid solution-oxide heterostructures combine the advantages of solid solution and heterojunction materials to improve electronic structure and optical properties by metal doping, and enhance charge separation and transfer in semiconductor photocatalysts by creating a built-in electric field. Nevertheless, the effective design and synthesis of these materials remains a significant challenge. Here, we develop a generally applicable strategy that leverages the transformable properties of metal–organic frameworks (MOFs) to prepare solid solution-oxide heterojunctions with controllable structural and chemical compositions. The process consists of three main steps. First, MOFs with different topological structures and metal centers are transformed, accompanied by pre-nucleation of a metal oxide. Second, solid solution is prepared through calcination of the transformed MOFs. Finally, a heterojunction is formed by combining solid solution with another metal oxide group through endogenous overflow. DFT calculations and study on carrier dynamics show that the structure of the material effectively prevents electrons from returning to the bulk phase, exhibiting superior photocatalytic reduction performance of CO2. This study is expected to promote the controllable synthesis and research of MOF-derived heterojunctions. 相似文献
780.
Prof. Dr. Masatoshi Tosaka Hinako Takeuchi Masato Kibune Tianxiang Tong Nanyi Zhu Prof. Dr. Shigeru Yamago 《Angewandte Chemie (International ed. in English)》2023,62(29):e202305127
Stochastic simulation of the formation process of hyperbranched polymers (HBPs) based on the reversible deactivation radical polymerization (RDRP) using a branch-inducing monomer, evolmer, has been carried out. The simulation program successfully reproduced the change of dispersities (Đs) during the polymerization process. Furthermore, the simulation suggested that the observed Đs (=1.5–2) are due to the distribution of the number of branches instead of undesired side reactions, and that the branch structures are well controlled. In addition, the analysis of the polymer structure reveals that the majority of HBPs have structures close to the ideal one. The simulation also suggested the slight dependence of branch density on molecular weight, which was experimentally confirmed by synthesizing HBPs with an evolmer having phenyl group. 相似文献