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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 P m 3 ¯ m 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 P m 3 ¯ m 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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本文针对典型高温气冷堆乏燃料厂房在双发商用飞机撞击载荷下的响应及结构完整性开展研究,并探讨结构特性对撞击损伤的影响。对乏燃料厂房及飞机分别建立有限元模型,通过弹体-目标相互作用分析模拟了飞机撞击过程,综合IAEA与NRC的评价准则对乏燃料厂房在飞机撞击下的损伤程度进行评估。数值结果表明:厂房上对应于机身及发动机的撞击位置发生可接受的局部损伤;乏燃料贮存井墙体对于提高构筑物抗飞机撞击能力有重要作用。此外,构筑物外形对损伤有很大影响,圆柱形壳体的抗飞机撞击能力显著强于方形厂房,是核电厂厂房设计的优化方向之一。  相似文献   
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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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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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  Qing  Xu  Bin  Yu  Yang  Zhan  Wei  Zhao  Yu  Zheng  Jun  Ji  Jian 《Bulletin of Engineering Geology and the Environment》2021,80(8):6513-6525
Bulletin of Engineering Geology and the Environment - Many uncertainties exist in pile-stabilized slopes which make their design substantially complicated. In this paper, a first-order reliability...  相似文献   
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