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现行常用的非破损检测结构混凝土抗压强度技术规程中只给出了结构混凝土推定强度的计算方法,其计算结果的可信程度并不能确定.运用概率论知识,引入置信区间的概念,利用非中心t分布建立数学模型,对规程中推定强度进行概率分析,计算其置信度,以供工程实践参考. 相似文献
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词类转换是汉英互译翻译实践中的重要手段之一,如果运用得当,能使译文通顺流畅,符合本族语的语言习惯,反之则会使译文生硬累赘,让人难以理解和接受。本文将英译汉及汉译英翻译中常见的词类转换做以总结和说明。 相似文献
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Lattice structures and electronic properties of WZ-CuInS_2/WZ-CdS interface from first-principles calculations
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Using the first-principles plane-wave calculations within density functional theory, the perfect bi-layer and monolayer terminated WZ-CIS(100)/WZ-Cd S(100) interfaces are investigated. After relaxation the atomic positions and the bond lengths change slightly on the two interfaces. The WZ-CIS/WZ-Cd S interfaces can exist stably, when the interface bonding energies are-0.481 J/m~2(bi-layer terminated interface) and-0.677 J/m~2(monolayer terminated interface). Via analysis of the density of states, difference charge density and Bader charges, no interface state is found near the Fermi level.The stronger adhesion of the monolayer terminated interface is attributed to more electron transformations and orbital hybridizations, promoting stable interfacial bonds between atoms than those on a bi-layer terminated interface. 相似文献
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多氯联苯醚的结构参数和热力学性质的密度泛函理论研究 总被引:1,自引:0,他引:1
采用密度泛函理论(DFT)方法在B3LYP/6-31G*水平上对209个多氯联苯醚(PCDEs)系列化合物进行了全优化和振动分析计算, 得到各分子的结构参数和热力学性质, 并研究了这些参数与氯原子的取代位置及取代数目(NPCS)之间的关系. 结果表明: 分子平均极化率(α)、焓(HӨ)、自由能(GӨ)、恒容热容( )和熵(SӨ)与NPCS之间有很强的相关性(相关性系数r2分别为0.9955, 1.0000, 1.0000, 0.9918, 0.9995), 分子体积(Vm)和最高占据轨道能(EHOMO)与NPCS也有较好的相关性, 相关性系数r2分别为0.9735和0.9362. 设计等键反应, 计算了PCDEs系列化合物的标准生成热(ΔfHӨ)和标准生成自由能(ΔfGӨ). 根据异构体自由能的相对大小, 从理论上求得异构体的相对稳定性顺序. 相似文献
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The molecular structures of 135 poly-bromine carbazole (PBCZs) compounds were fully optimized at the B3LYP/6-31G* level, and their thermodynamic properties at 98.15 K, 1.013 ×105 Pa were consequently obtained. Based on our isodesmic reaction, standard formation heat (ΔfH) and standard formation free energy (ΔfG) of PBCZs were calculated. Furthermore, the relationship between thermodynamic parameters and the position and number (NPBS) of Brsubstitution were also discussed. To our interest, a good dependence can be observed among entropy (S), ΔfH, ΔfG and NPBS. Ultimately, the theoretical stability order of isomers can be decided judging from the ΔfG value. 相似文献
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