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A first‐principles‐based effective Hamiltonian is developed and employed to investigate finite‐temperature structural properties of a prototype of perovskite halides, that is CsPbI3. Such simulations, when using first‐principles‐extracted coefficients, successfully reproduce the existence of an orthorhombic Pnma state and its iodine octahedral tilting angles around room temperature. However, they also yield a direct transformation from Pnma to cubic upon heating, unlike measurements that reported the occurrence of an intermediate long‐range‐tilted tetragonal P4/mbm phase in‐between the orthorhombic and cubic phases. Such disagreement, which may cast some doubts about the extent to which first‐principle methods can be trusted to mimic hybrid perovskites, can be resolved by “only” changing one short‐range tilting parameter in the whole set of effective Hamiltonian coefficients. In such a case, some reasonable values of this specific parameter result in the predictions that i) the intermediate P4/mbm state originates from fluctuations over many different tilted states; and ii) the cubic phase is highly locally distorted and develops strong transverse antiphase correlation between first‐nearest neighbor iodine octahedral tiltings, before undergoing a phase transition to P4/mbm under cooling. 相似文献
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Wireless Personal Communications - The existing long term evolution networks originally designed for human-to-human communications are hard to tackle numerous and bursty random access requests from... 相似文献
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Rui ZHAO Weikai LI Tian WANG Ke ZHAN Zheng YANG Ya YAN Bin ZHAO Junhe YANG 《材料科学前沿(英文版)》2020,14(2):188
Effective thermal management of electronic integrated devices with high powder density has become a serious issue, which requires materials with high thermal conductivity (TC). In order to solve the problem of weak bonding between graphite and Cu, a novel Cu/graphite film/Cu sandwich composite (Cu/GF/Cu composite) with ultrahigh TC was fabricated by electro-deposition. The micro-riveting structure was introduced to enhance the bonding strength between graphite film and deposited Cu layers by preparing a rectangular array of micro-holes on the graphite film before electro-deposition. TC and mechanical properties of the composites with different graphite volume fractions and current densities were investigated. The results showed that the TC enhancement generated by the micro-riveting structure for Cu/GF/Cu composites at low graphite content was more effective than that at high graphite content, and the strong texture orientation of deposited Cu resulted in high TC. Under the optimizing preparing condition, the highest in-plane TC reached 824.3 W·m−1·K−1, while the ultimate tensile strength of this composite was about four times higher than that of the graphite film. 相似文献
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Yuanyuan Zhang Haiyan Lu Bing Wang Zhuo Zhang Xiaorong Lin Zhongzheng Chen Bin Li 《International Journal of Food Science & Technology》2015,50(6):1397-1404
Removal of imidacloprid and acetamiprid in tea infusions by microfiltration membrane using dead‐end model was investigated in the present study. The results showed that microfiltration significantly promoted the removal of both pesticides (P < 0.05) in tea infusions. Furthermore, the extent of removal was strongly influenced by the pore size of membrane, operational pressure and the concentrations of tea infusions. The initial concentration of imidacloprid and acetamiprid showed no significant effect on their removal rates. The maximum removal rates were 79.7% for imidacloprid and 81.9% acetamiprid. The changes in major chemical components of tea infusions after microfiltration were evaluated. The results indicated that microfiltration caused no considerable changes in total polyphenols and total free amino acids, and small but statistically significant losses (6.3–18.0%) of eight catechins and three methylxanthines when filtration volume reached to 200 mL. The present study validated the application of microfiltration as a potentially feasible and promising method for the removal of imidacloprid and acetamiprid residues from tea infusions. 相似文献
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本研究针对水泥窑余热发电系统的工作条件,根据耐磨材料的损毁机理,采用高铝矾土、煅烧氧化铝粉、黏土、硅微粉等为原料,以磷酸二氢铝为结合剂,以铝酸钙水泥为促硬剂,通过添加掩蔽剂和优化配料工艺,制备了水泥窑余热发电系统用耐磨材料,并对不同处理温度对耐磨材料的性能影响进行了分析。结果表明增强骨料与基质的结合能力有利于耐磨性的提高,磷酸及磷酸盐与氧化铝之间会随着温度的升高生成不同的磷酸铝相,都能够起到结合作用,比采用水泥结合更有利于提高材料在不同温度下的强度和耐磨性。使用结果表明,制备的耐磨材料施工性能优良,凝结硬化时间适当,强度高,抗冲刷性能好,在水泥窑余热发电系统中取得了良好的使用效果。 相似文献