1) thermodynamics consistency
热力学自恰性
1.
This work improves thermodynamics consistency of pressures compared to the result calculated by using Choudhury\'s[6]and Duh\'s[4] bridge function.
衡量桥函数近似准确程度的重要标志是其计算出的热力学量能否较好地满足热力学自恰性,本文提出了一个新的用于研究二元Lenard-Jones流体热力学性质的桥函数,该桥函数的函数形式采用修正Verlet桥函数形式,其宗量为间接相关函数与含密度和温度及浓度的微扰势之差,在高于临界温度的区域(约化温度从1。
2) conflict
[英]['kɔnflikt] [美]['kɑn,flɪkt]
非自恰性
1.
Analysis on the conflict of investment decision indices;
投资决策评价指标的非自恰性分析
4) thermodynamics properties
热力学性质
1.
Study on thermodynamics properties of Van de Waals nitrogen gas in low temperature
范德瓦尔斯氮气的低温热力学性质研究
2.
The vibrational frequencies,the IR spectra and the thermodynamics properties in different temperatures of the system were obtained on the basis of vibrational analysis, the relations of the effects of temperatures on thermodynamics properties were also obtained.
用B3LYP法,在6-31G(d,p)基组水平上计算4,6-双-(5-氨基-3-硝基-1,2,4-三唑-1-基)-5-硝基嘧啶(DANTNP)的性能,得其稳定的几何构型和键级;在振动分析的基础上求得体系的振动频率、IR谱及不同温度的热力学性质及温度对热力学性能影响的关系式。
3.
The vibrational frequencies,the IR spectra and the thermodynamics properties in different temperatures of the system were obtained on the basis of vibrational analysis,the relations of the effects of temperatures on thermodynamics properties were also obtained.
用B3LYP法,在6-31G(d,p)基组水平上计算二硝基吡唑并吡唑(DNPP)的性能,得其稳定的几何构型、分子轨道及键级;在振动分析的基础上求得体系的振动频率、IR谱及不同温度下的热力学性质,并得温度对热力学性能影响的关系式;用Monte-Carlo方法从理论上计算密度,运用Kamlet公式预测爆速。
5) thermodynamic properties
热力学特性
1.
However, the IPIB mixing effects are various for different film/substrate systems because of their different thermodynamic properties.
这与膜和基体的热力学特性的差异相关。
2.
The Debye model is employed to calculate the thermodynamic properties of aluminum from two different pseudopotentials such as the bulk modulus,the equation of state(EOS) and the coefficient of the thermal expansion in the quasiharmo.
在准谐近似下引入德拜模型,用两种赝势计算了不同的热力学特性,如体积弹性模量、物态方程、热膨胀等,比较了两种赝势计算出的结果,在通常情况下,两种赝势计算的结果差别不大,在有些情况下两者的差别比较明显,但计算结果都与有效的实验值相符合。
3.
Based on density-functional theory (DFT) and density-functional perturbation theory (DFPT) we have discussed systematically the hydrogen isotope effects on the thermodynamic properties of TiX2 (X=H, D, and T) system.
应用基于密度泛函理论(DFT)和密度泛函微扰理论(DFPT)的 PWSCF和PHONONS第一原理计算程序系统研究了TiX2(X=H,D,T)系统热力学特性的同位素效应。
6) thermodynamic properties
热力学性能
1.
1 program based on the density functional theory,heat of formation,cohesive energy,thermodynamic properties and density of states(DOS) of the alloying system were investigated to explain the mechanism of the influence of Sb,Bi alloying on improving heat resistance properties of Mg-Al alloy.
1程序,从合金形成热、结合能、热力学性能和态密度等方面,研究Sb、Bi合金化提高Mg-Al系合金抗蠕变性能的影响机理。
2.
The thermodynamic properties of metallic nanoparticles not only depend on the particle size,but al- so depend on the particle shape.
金属纳米微粒的热力学性能不仅依赖于纳米微粒的尺寸,还依赖于纳米微粒的形状。
3.
The reaction resultant was analyzed and characterized,and the effect of milling time on the transformation pattern of the synthesized resultants of the ball-milling reaction system and thermodynamic properties of the milled composites were investigated by using X-ray diffraction(XRD),thermal analysis(TG-DSC),and mass spectrum(MS).
以LiAlH4和AlCl3为原料,采用机械球磨固相化学反应方法合成铝氢化合物,通过XRD、TG-DSC和MS等方法对反应产物进行分析和表征,研究不同球磨时间对球磨反应体系合成产物的转变规律和对产物热力学性能的影响。
补充资料：热力
1.由热能产生的作功的力。 2.热情的力量。
说明：补充资料仅用于学习参考，请勿用于其它任何用途。
参考词条