geometry optimization
英 [dʒiˈɒmətri ˌɒptɪmaɪˈzeɪʃn]
美 [dʒiˈɑːmətri ˌɑːptɪməˈzeɪʃn]
几何优化
双语例句
- Compressor stator seal cavity geometry optimization and flow analysis
压气机静叶气封几何优化与流动分析 - Reliability Analysis and Geometry Optimization of Multilayer Piezoelectric Actuator
层合状压电致动器的可靠性分析与几何优化 - The geometry optimization of reactants, transition states, intermediates and products are made at MP2/ SDD level and the isoelectronic density graphs of some molecules are plotted.
我们优化了反应通道上各驻点，即反应物、过渡态、中间体和产物的几何构型，并得到了主要驻点的等电子密度分布图。然后在同一水平上计算能量，同时进行零点能校正。 - The parameters of crystal structure at ground state were obtained after full geometry optimization by using BFGS method.
使用BFGS算法对BC2N初始结构进行几何优化后，给出了处于基态的晶体结构参数。 - A general computer program or geometry optimization
一个通用的几何优化程序 - Study on Geometry Optimization of Pole Shoes, Parameter Calculation, and Transient Behavior Simulation of Hydrogenerators with Multi-section Arc Pole Shoes
多段圆弧极靴水轮发电机极弧优化、参数计算和动态性能研究 - Geometry layout optimization of large flexible deployed antenna
周边桁架式展开天线几何布局优化 - Global Geometry Optimization of Water Clusters Using Fast Hybrid Global Optimization Algorithm
杂合型全局优化法优化水分子团簇结构 - Truss geometry optimization based on two step method linked with sensitivity of optimal objective
最优目标敏度紧系的桁架几何两步优化方法 - Generalized variable approximation for geometry optimization of trusses
杆系结构几何优化中的广义变量近似方法 - A Kind of Vortex Type Line Geometry Parameter Optimization Method
涡旋压缩机型线几何参数的优化设计方法研究 - Tooth Layer Specific Torque and Tooth Layer Geometry Optimization of the Stepping Motors
步进电动机的齿层比转矩和齿形优化 - Theory and beam geometry optimization of pulsed photothermal deflection spectroscopy with focused laser beam excitation
聚焦激光束加热时脉冲光热偏转光谱的理论及构型优化 - Improvements of the Algorithm of CNDO/ 2 Geometry Optimization
CNDO/2几何优化算法的改进 - Molecular structures of eight kinds of 6 thiopurine tautomers were calculated by the B3LYP/ 6 311G method, both in the gas and aqueous phases, with full geometry optimization.
在密度泛函B3LYP/6311G水平下，对8种气相和水相中可能存在的6巯基嘌呤异构体进行了几何构型的全自由度优化，并计算出它们的总能量、焓、熵、吉布斯自由能。 - In addition to binding energies, parameters of structures and properties of supermolecules ( HMX/ polymers) are obtained using full geometry optimization on the basis of atomic cluster matching size model.
根据尺寸匹配的原子簇模型，通过全优化寻找能量极小构型，获得超分子（HMX／高聚物）的结构和性能参数，以及它们之间的结合能。 - The procedure is based on a finite difference time domain ( FDTD) scheme. The numerical results will offer theoretic reference for streamer discharge simulation or geometry optimization of reactor.
数值计算运用时域有限差分（FDTD）法，数值模拟结果为以后的反应器流光放电模拟及结构优化提供依据。 - Study on the CNDO/ 2 Geometry Optimization
CNDO/2几何优化的研究 - Geometry optimization calculations indicate that all the six fluorinated ethylene cations have planar structures, in contrast with the non planar D2 structure of the ethylene cation.
结果表明，与具有非平面结构的乙烯阳离子不同，六种氟代乙烯阳离子都只具有平面结构； - In the second case, after failure to obtain the optimized TS by standard methods, the starting structures for all the TS optimizations were obtained from equilibrium geometry optimization technique along their reaction coordinates.
第二个例子是在使用标准过渡态优化方法失败后，根据物理问题从反应途径上用平衡几何构型优化方法选择过渡态优化的初始结构； - Using the simulation method can replace part of the experimental research, expand the application of finite element theory, promote the research of hard-state cutting mechanism and provide a useful reference for cutting tool geometry optimization and process.
采用的模拟方法可以部分的取代实验研究，拓展了有限元理论的应用范围，促进了硬态切削机理的研究，为刀具几何参数和切削工艺的优化提供了有益的参考。 - Helical coil spring and geometry optimization.
并对斜圈弹簧的几何尺寸进行优化。 - Made in observing systems face Yuan attributes analysis, for the parameters of offset change rate that seized from quantitative descriptions of offset homogeneous, we established optimization objective function that on the basis of offset seized from being evenly distributed in the three-dimensional geometry optimization design.
提出了在观测系统面元属性分析中，对炮检距均匀性定量刻画的炮检距变化率参数，建立了基于面元内炮检距均匀分布的三维观测系统优化设计的最优化目标函数。 - To uncover an insight of the dynamic reconstruction, we employ a combination application of AIMD, geometry optimization and polarity analysis.
为了揭示重构的动态过程，我们采用AIMD，几何优化和极性分析的多重方法进行研究。 - Calculations including geometry optimization and vibrational analysis for the stationary points on the ground and the first excited states were performed.
对基态和第一个三重激发态反应途径上所有中间体和过渡态进行了几何结构优化和频率计算。 - The periodic slab model of Pd ( 111) has been designed. The stability adsorption location, geometries and adsorption energies of species are obtained by the geometry optimization.
本文构建了Pd（111）表面周期性模型，通过几何构型优化，计算得到了甲醇水蒸气重整过程中各反应物种在Pd（111）表面上的稳定吸附位置、空间构型和吸附能。 - DFT-based geometry optimization and electronic structure analysis are the main routines to study local stable structures on the potential energy surfaces, while the MD simulation is more efficient in searching global minima and studying dynamic behavior with various environmental conditions involved.
基于DFT的构型优化和电子结构分析是研究势能面的局域稳定结构的主要手段，而AIMD模拟在搜索全局最优构型和研究各种环境条件下的动力学行为方面更有效。 - On the basis of modeling ancient architecture, carries on the key technologies in modeling process, has studied the geometry optimization techniques and the texture optimization techniques with emphasis.
在建立的模型基础上，对建模过程应用的关键技术，进行详细阐述，重点研究了几何优化技术和纹理优化技术。