Lennard-Jones potential
英
美 [ˈlɛnərd dʒoʊnz pəˈtenʃl]
伦纳德-琼斯势
双语例句
- VLE prediction with Lennard-Jones potential energy and one-parameter Wilson Equation
用兰纳-琼斯位能和单参数Wilson方程预测汽液平衡 - It was much better for calculating gas viscosity with new Lennard-Jones ( 12-6) potential parameters than with that of Svehla ′ s.
所有采用的气体粘度数据都是经过评选的实测数据，利用新的LennardJones（126）势能参数计算气体粘度比用Svehla的数据要好。 - With dimensionless quantities, the effective interaction-range of intermolecular forces is discussed by changing the integration radius of this method, and the calculation effect with Van der Waals potential or Lennard-Jones potential to expressing the intermolecular interaction are also compared.
并通过定义非维度量和改变圆截球的半径分析了有关分子间作用力的有效作用范围，以及利用范德华势与Lennard-Jones势表示分子间作用力的表现效果问题； - It is explicated that the 2nd virial coefficient converges for Lennard-Jones 'potential, when the dimension n is smaller than 6.
结果表明：对于Lennard-Jones势，只有当维数n<6时，第二位力系数才收敛。 - Potential Parameter for Lennard-Jones ( 12-6) Potential by Gas Viscosity
由气体粘度提供Lennard-Jones（12-6）势能参数 - Based on the cellular automata finite deep potential trough model and the Lennard-Jones ( 12-6) potential, the paper analyses the form and distribution of the potential energy and energy of the molecule group in the model in terms of the deduce of the quantum mechanics.
在细胞自动机有限深势阱模型的基础上，利用Lennard-Jones（12-6）势能，通过量子力学推导和分析，对模型中的势能和分子组能量的形式和分布进行了探讨。 - Based on the classical elastic theory and Lennard-Jones potential, an elastic model of nano-contact between a sphere and a plane was established to investigate the cause of jump-to-contact of atomic force microscopy ( AFM).
为了研究原子力显微镜（AFM）突跳现象的产生机理，基于经典弹性理论和Lennard-Jones势能定律建立了AFM针尖与样品纳米接触的弹性模型。 - In this paper, potential energy model between H_2 and carbon atom was built with Lennard-Jones potential energy by using molecular dynamics, and the potential energy curve between hydrogen molecules and carbon nanotube was computed.
本文从Lennard-Jones势出发，建立了H2分子与C原子之间的作用势能模型，借助于分子动力学（MD）方法，模拟计算了H2分子与管的作用势能曲线。 - In this dissertation, MDS has been used to predict the thermodynamic properties and transport coefficients of an argon system with Lennard-Jones potential to reveal the propagation mechanism of a disturbance in the medium, to discuss the interface characteristics under saturated condiction.
本文用分子动力学方法模拟了系统的热力学参数和输运系数，并探讨了扰动在介质中的传播机理，最后分析和讨论了汽液界面中的相变现象。 - Hydrogen-hydrogen and hydrogen-carbon interactions are both modeled with Lennard-Jones potential.
氢气分子之间、氢气分子与碳原子间的相互作用采用Lennard-Jones模型。 - The exact expressions of parabolic cylinder function of the second virial coefficient B_2 ( T) for gases with Lennard-Jones potential are obtained.
本文获得Lennard-Jones气体的第二维里系数B2（T）的用抛物柱函数的严格表示。 - The ABEEM/ MM model ( atom-bond electronegativity equalization method fused into molecular mechanics) is built for protein. The Lennard-Jones and torsional parameters were optimized to be consistent with the ABEEM/ MM fluctuating charge electrostatic potential.
该模型符合极化力场的要求，杨等人据此建立了应用于模拟蛋白质体系的浮动电荷力场（原子-键电负性均衡方法与力场相结合模型），即ABEEM／MM分子力场。 - The interaction of inert-gas atoms is described by the Lennard-Jones potential, and the statistical geometric theory of melting is applied to study of the two dimensional solid-liquid phase transition of some inert-gas monolayers physically adsorbed on graphite.
本文以Lennard－Jones势描述惰性原子间的相互作用，将融化的统计几何理论应用到物理吸附在石墨表面的惰性原子单层的固液相变。 - The attachment energy and specific surface energy of important faces of a ZrAl_3 crystal have been calculated by computer using the periodic bond chain method and the Lennard-Jones n-m potential parameters.
本文应用周期键链（PBC）概念及Lennard-Jonesn-m势能参数借助计算机对金属间化合物ZrAl3晶体各重要晶面的附着能及表面能进行了计算，导出了该晶体的平衡形态与生长形态。 - A method based on Lennard-Jones molecular potential energy is developed to predict the vapor-liquid equilibria by one γ(?) and critical values of pure species.
根据Lennard-Jones分子位能函数模型提出由一个端值和纯组分的临界参数预测汽液平衡的方法； - The Lennard-Jones potential and Barker-Henderson perturbationtheory are used to calculate the dispersion and repulsion energies between molecules.
本文对流体分子中的色散能和排斥能采用Lennard-Jones位能函数和Barker-Henderson微扰理论进行计算； - Adopting a Lennard-Jones potential, the ground state energy, quasi-particle energies and the Landau parameters are evaluated to the second order.
从Lennard-Jones势出发，在二级微扰近似下数值计算了二维~3He液体的基态能、准粒子谱和朗道参数。 - The thermal pressure is obtained by the principle of corresponding state and the internal pressure is derived from Lennard-Jones ( 6,12) potential.
聚合物的热压力由对应状态原理得到，内压力由LennardJones（6,12）势能函数导得。 - The Lennard-Jones potential was utilized calculating system energy. The transition rule was according with minimal energy principle ( if the sum of difference of energy and undulation of energy is lower than zero the transition took placed.).
系统能量的计算利用了Lennard&Jones对势，转变规则依据热力学上的最小能量原理（转变前后的能量差加上一个能量起伏小于0则转变）。 - The adaptive zero-temperature string method is applied to the double well system, the Mueller potential problem and a seven-atom Lennard-Jones cluster problem, and it appears satisfactory.
自适应零温度弦方法被应用到双井势系统、Mueller势问题和一个七原子Lennard-Jones丛问题中，都得到了令人满意的结果。 - In simulation, No-charge short range intermolecular interactions and charge-charge short range interactions were calculated respectively by Lennard-Jones potential function ( or Buckingham Exp-6 potential function) and Columbian potential function.
模拟过程中，分别采用Lennard-Jones势能模型（或BuckinghamExp-6势能模型）及哥伦布势能函数计算分子间的非电荷近程相互作用势能及电荷间的近程作用势能。 - Prediction of PVT Properties of Real Fluid Using Radial Distribution Function and Lennard-Jones Potential Model
用径向分布函数及Lennard-Jones位能模型计算真实流体的PVT性质 - Molecular dynamics simulation of self-diffusion coefficient and its relation with temperature using simple Lennard-Jones potential
L-J流体自扩散系数及其与温度关系的分子动力学模拟 - Correlations of the Second Virial Coefficient with Temperature and Determinations of Lennard-Jones and Stockmayer Potential Parameters
第二维里系数与温度的关联及Lennard-Jones和Stockmayer位能参数的推算 - Furthermore the paper presents the Lennard-Jones ( 10-6) potential function, which is periodic distribution and exhibits a "bucket" in a single potential trough.
得到了模型的Lennard-Jones（10-6）势能函数，并且势能是周期性分布的，在单个势阱中呈桶状； - The density profiles and the excess adsorption for Lennard-Jones ( LJ) fluid inside slit pores were determined by minimizing the grand potential and the results agreed well with the simulation data.
由巨势最小原理确定Lennard-Jones（LJ）流体在狭缝中的密度分布和过剩吸附量，所得结果与分子模拟数据吻合良好。 - Therefore, apart from the energy contributions from Lennard-Jones, bond angles and torsion angles, the elastic potential energy of springs is also a part of the total potential of the configuration.
这样，系统能量中除了Lennard-Jones势能、弯曲势能和扭转势能外，还有弹簧势能。 - In this dissertation, the effect of various guest molecules in the(ε,σ) space of the Lennard-Jones potential model on hydrate growth were investigated.
本论文模拟了（ε，σ）回空间中各种Lennard&Jones客体分子对水合物生长的影响。