QSPR modeling of mineral crystal lattice energy by BPNN
基于BPNN的无机离子晶体晶格能的QSPR研究(英文)
The regression equations between 0B、1B and F center energy band (E(F),eV), lattice energy (U, kJ·mol-1) and standard entropy (Sm0,J·mol-1·K-1) are obtained respectively as.
用其中0B、1B分别与20种碱金属卤化物的F心能带[E(F)]、晶格能(U)、标准熵(Smθ)性质关联,它们的相关系数(R)依次为0。
The correlation coefficient of Az and △Xp(the electronegativity difference) with lattice energy and standard heat of formation 20 kinds of alkaline halides is 0.
根据碱金属卤化物的离子半径R,有效核电荷数Z*提出了一个新的拓扑指数Az,并将Az、△Xp(电负性差)与20种碱金属卤化物的晶格能、标准生成焓进行关联,拟合的回归方程的相关系数为0。
The net stability and crystallization of the gel-glass was analyzed by energy of crystal lattice.
利用晶格能对凝胶玻璃的稳定性与析晶特性进行了定性分析。
Using A site energy of crystal lattice and B site electric field power,the Curie temperature was anylyzed,and the result was agreement with that of experiment.
测定了La1 -xAx(MnB)O3型巨磁电阻钙钛矿化合物在不同组成时的居里温度 ,利用A位离子对晶格能的贡献和B位离子极化力的变化分别对A和B位离子掺杂及A B位离子组成同时变化时钙钛矿的居里温度进行了分析 ,结果与实验一致。
The method of determination for the energy of crystal lattice in experiment is introduced and the method of theoretical calculation for the energy of crystal lattice is also discussed.
介绍了晶格能的实验测定方法，讨论了晶格能的理论计算方
Interionic separations γi at the tensile fracture of NaCl-type ionic crystals have been calculated on the bases of the characteristic of the lattice potential energy curve, and compared with the values of ion spacing γi determined at melting temperature with the help of the isobaric equation of state.
从晶格势能曲线的特点出发,根据晶体拉伸断裂时的理论条件,计算了NaCl-型晶体拉伸断裂时的离子间距γi。
The crystal lattice energy of the superconducting phase has been calculated in different oxygen content.
62)正交相晶格能与氧含量的关系。
Methods The crystal potential energy and crystal vibration energy were used to analyze the change of the free energy in shape memory alloy and calculate the quantity.
方法根据固体理论，利用晶格原子势能和晶格振动能，讨论在形状记忆合金相变过程中热力学能的变化，分析热力学能的具体表现形式，并给出能量转化的量。
QSPR modeling of mineral crystal lattice energy by BPNN
基于BPNN的无机离子晶体晶格能的QSPR研究(英文)
MADELUNG CONSTANT AND COMPUTER AIDED\=COMPUTATION OF IONIC CRYSTAL LATTICE ENERGY
Madelung常数和晶格能的计算机辅助计算
A QSPR STUDY ON THE LATTICE ENERGY OF ALKALI METAL HALIDES;
碱金属卤化物晶格能的QSPR研究
The Energy Gap and Impurity Modes in a One-Dimensional Dusty Plasma Crystal Chain;
一维尘埃晶格链中的能隙及杂质能级
The magnesium borate whisker is a kind of whisker with super property and low production cost.
硼酸镁晶须是一种性能价格比高的晶须新品种，
Investigation on Spectra and Lattice Structure of Optical Crystal K_5Bi(MoO_4)_4:Yb~(3+)
光学功能晶体K_5Bi(MoO_4)_4:Yb~(3+)的光谱及晶格结构研究
lattice dynamics of molecucrystals
分子结晶晶格动力学
lattice dynamics of crystal surface
晶体表面晶格动力学
cubic (lattice) cell
立方晶胞,立方点阵晶格
These crystal lattices may have imperfections, such as dislocations and vacancies.
这些晶格可能有不完善之处，例如位错和空穴。
The Energy Band Structure and Multistability of Nonlinear Superlattice;
非线性超晶格的能带结构和多稳态现象
Calculation of the Energy Levels of an Electron in the Lattice Field and Aharonov-Bohm Potential;
在晶格场和Aharonov-Bohm势场中的电子能级的计算
Lattice Transition and Magnetic Property of Dy~(3+)-Doped BiFeO_3 Film Prepared by Chemical Solution Method
Dy~(3+)掺杂BiFeO_3薄膜的晶格转变和磁性能研究(英文)
Research on Fabrication and Properties of Bi/Bi_2O_3 Lattice Compound Thermoelectric Thin Films
Bi/Bi_2O_3晶格复合热电薄膜的制备及其性能研究
Effects of lattice-misfit strain on the ferroelectric properties of ferroelectric films
晶格失配应变对铁电薄膜铁电性能的影响
The Sine-squared Potential and the Band Constraction for 1-dimension Doping Superlattice
正弦平方势与一维掺杂超晶格的能带结构
Epitaxy: Concerns/ constraints- lattice-matched systems; strained layers( pseudomorphic)- limits of thickness; impact of strain on bands, properties.
磊晶：关键与限制-晶格匹配之材料系统；应变层(晶)-厚度上限；应力对能带的影响，特性。
interstitial positio
(晶格中)节点间隙