理性计算,rational calculation英语短句,例句大全

理性计算,rational calculation
1)rational calculation理性计算
2)reasonable judgment of the calculation计算合理性
3)first-principles calculation第一性原理计算
1.The division of iron s core and valence states under high pressures via first-principles calculation;Fe在高压下第一性原理计算的芯态与价态划分
2.The first-principles calculations were widely used in many different fields of materials science.第一性原理计算方法已被广泛应用于材料科学的各个领域。
3.By using the pseudopotentials and plane-wave method,first-principles calculation method based on the density-functional theory(DFT) is performed for the total energy calculations of the transition metal copper.采用基于密度泛函理论(DFT)的平面波赝势方法的第一性原理计算,对过渡金属铜元素进行总能量计算,能量计算精度取为0。

英文短句/例句

1.First Principles Calculation of Helium in Titanium CrystalsHe原子在金属Ti中的第一性原理计算
2.Frist-Principle Calculation and Ferroelectric Properties of PZT;PZT第一性原理计算及其铁电性能研究
3.First-Principles Calculations for Properties of ZrB_2 Compound under High Pressure;高压下ZrB_2物性的第一性原理计算
4.First-Principles Calculations for Physics Properties of Pu、NaCl and SrO;Pu、NaCl和SrO的物性的第一性原理计算
5.The First-principle Calculation of Physical Properties under High Pressure;高压下NaI物性的第一性原理计算
6.First-Principles Calculations for Properties of AlB_2 Compound under High Pressure;高压下AlB_2物性的第一性原理计算
7.First-Principles Calculations for Properties of ReB_2 Compound under High Pressure高压下ReB_2物性的第一性原理计算
8.The First-principles of AlN Based Diluted Magnetic Semiconductors;AlN基稀磁半导体的第一性原理计算
9.First-principles Calculation on the Doped Rutile TiO_2掺杂金红石相TiO_2的第一性原理计算
10.First-principle study of Al,Ag codoped p-type ZnOAg-Al共掺ZnO的第一性原理计算
11.First principles calculation of phase transition of vanadium under pressure压力下钒发生相变的第一性原理计算
12.First-principles Calculations of Structural Transformation of SrS under High Pressure高压下SrS结构转变的第一性原理计算
13.First-principles Calculation of Electronic Structures of Cu(111) SurfaceCu(111)表面原子和电子结构的第一性原理计算
14.First-principles study of hydrogen atom in interstitial sites of NiAl and CrNiAl和Cr材料中H原子间隙的第一性原理计算
15.Elastic properties of CaSiO_3 perovskite from first-principles calculationsCaSiO_3钙钛矿弹性性质的第一性原理计算(英文)
16.First-Principles Calculations for Properties of CaO and SiC under High Pressure;氧化钙和碳化硅高压物性的第一性原理计算
17.First-principles Calculations on the Structures and Electronic Properties of Aluminum Clusters;铝团簇结构和电子性质的第一性原理计算
18.First-Principles Calculations for Properties of GaAs、GaN and MgO under High Pressure;高压下GaAs，GaN和MgO物性的第一性原理计算

相关短句/例句

reasonable judgment of the calculation计算合理性
3)first-principles calculation第一性原理计算
1.The division of iron s core and valence states under high pressures via first-principles calculation;Fe在高压下第一性原理计算的芯态与价态划分
2.The first-principles calculations were widely used in many different fields of materials science.第一性原理计算方法已被广泛应用于材料科学的各个领域。
3.By using the pseudopotentials and plane-wave method,first-principles calculation method based on the density-functional theory(DFT) is performed for the total energy calculations of the transition metal copper.采用基于密度泛函理论(DFT)的平面波赝势方法的第一性原理计算,对过渡金属铜元素进行总能量计算,能量计算精度取为0。
4)first-principles calculations第一性原理计算
1.In the present work, we examine the ideal strength of cubic BC_2N using first-principles calculations.文章采用第一性原理计算方法,研究立方BC2N晶体材料的理想强度。
2.In this paper,we performed the first-principles calculations of the effects of the uniaxial pressure on electronic structures of the (6,6) single-walled carbon nanotube crystal (SWNTC).通过第一性原理计算研究了垂直于碳纳米管轴向的单向压力对碳纳米管(6,6)晶体电子结构特性的影响。
5)first principle calculation第一性原理计算
1.We report first principle calculation using plane-wave pseudopotential technique in density-functional theory to investigate the crystal structure,elastic constants,bulk modulus,band structure and optical constants of uranium.其中,铀的晶格参数,弹性常数和体模量等与实验及其它第一性原理计算结果十分吻合。
6)first principles calculation第一性原理计算
1.In this thesis, traditional and novel diluted magnetic semiconductors have beenstudied using first principles calculation based on density functional theory (DFT).本论文主要利用第一性原理计算方法研究稀磁半导体。
2.This dissertation aims at providing some unavailable results from experiment by means of a first principles calculation.还详细介绍了本论文所涉及的基本理论基础—第一性原理计算方法。