A visualization algorithm of fluid dynamics simulation on the GPU is presented in this paper.
提出了一种基于GPU的流体动力学可视化方法。
The main contents include homology modeling, molecular docking, molecular dynamics simulation.
主要包括同源模建、分子对接、分子动力学等的研究。
Brownian dynamics simulation of dilute surfactant solution was performed under steady shear flow.
进行了稳定剪切流下稀疏表面活性剂溶液的三维布朗动力学数值模拟。
Soil moisture dynamics simulation is an important item of soil moisture monitoring and forecasting.
土壤水分的动态模拟是土壤墒情监测及预测预报的重要内容。
The rheological behavior of nanometer-thick liquid film has been predicted by Molecular Dynamics Simulation.
本文以分子动力学方法模拟了纳米级液体薄膜的流变特性。
At the same time, use FLUENT computational fluid dynamics simulation software to optimize the structure of MAP reactor.
同时运用FLUENT计算流体力学模拟软件，模拟并优化了MAP反应器的结构。
This review will outline the recent progress in flexible docking and focus on the molecular dynamics simulation techniques.
这篇综述概要介绍分子柔性对接技术的进展并重点介绍分子动力学模拟技术。
Molecular Dynamics Simulation Studies of Interlayered Structure in Lithium -, Sodium - and Potassium-Montmorillonite Hydrate.
锂-，钠-，钾水化蒙脱石层间结构的分子动力学模拟。
Sample calculations on small systems illustrate the importance of including hydrodynamic interactions in Brownian dynamics simulation.
对一个小的系统的计算已经表明在布朗动力学模拟过程中考虑流体力学相互作用的重要性。
In this paper we have calculated the vibrational relaxation rate by molecular dynamics simulation for homonuclear diatomic molecular crystal.
本文用分子动力学模拟方法计算同核双原子分子晶体的振动弛豫速率。
Using Langevin molecular dynamics simulation, we investigate numerically the depinning dynamics of fluid monolayer at a rough solid boundary.
本文利用朗之万分子动力学，数值研究粗糙固体边界层表面单层流体的脱钉特性。
In this paper, the binding free energy between HIV protease and inhibitor is calculated by molecular dynamics simulation with MM-PBSA method.
采用分子动力学模拟和MM -PBSA相结合方法计算了HIV蛋白酶和抑制剂的结合自由能。
The differences of diffusion properties between class I and class II hybrid membranes were also investigated by molecular dynamics simulation.
本文还通过分子动力学模拟考察了第i类杂化膜与第ii类杂化膜扩散性质的差别。
The present dissertation investigates the slip phenomenon and its effect on micro - and nanoscale flows by molecular dynamics simulation method.
本文主要采用分子动力学方法研究了滑移现象及其对亚微米尺度气体流动和纳米尺度液体流动的影响规律及其机制。
Molecular Dynamics simulation was used in this paper to study the adsorption behaviors of various succinimide dispersants on pseudo-soot surface.
本文应用分子动力学模拟方法，研究了丁二酰亚胺类分散剂模型分子在伪烟炱表面的吸附行为。
According to the time correlation function theory, the infrared spectrum of clusters can be calculated by using the molecular dynamics simulation.
根据时间关联函数理论，可以结合分子动力学模拟而计算团簇的红外吸收谱。
In the present paper a study on thermal conductivity of the quasi-ordered liquid layer on a solid surface was performed by molecular dynamics simulation.
本文用分子动力学模拟方法研究了近固体壁面拟有序液体边界层及其导热特性。
The conductivities in Fluoroborate glasses were calculated by molecular dynamics simulation method at near and higher than glass transition temperatures.
用分子动力学模拟方法，计算了氟代硼酸锂玻璃的电导率。
Molecular dynamics simulation was employed in this paper to investigate the relation between the properties of ultra thin films and their microstructure.
为揭示超薄膜的特性与其微观结构的关系，运用分子动力学模拟的方法进行了研究。
Molecular dynamics simulation and thermodynamic integration method were used to calculate the absolute binding free energy of the protein- ligand complex.
介绍了用分子动力学模拟与热力学积分法相结合 ，模拟蛋白质与配体的绝对结合自由能的方法 。
Based on multibody system dynamics method and ADAMS software platform, a rigid-flexible coupling multi-body model is built for vehicle dynamics simulation.
利用多体动力学方法建立了基于ADAMS软件平台的整车刚柔耦合多体系统操纵动力学仿真分析模型。
The ADAMS software is used to build dynamics simulation models of the dry dock gate system and simulation results show that these models are correctly built.
运用机械系统动力学自动分析软件ADAMS，建立了干船坞气控卧倒门系统的动力学仿真模型，并通过对仿真模型的运行，证明模型是可行的。
Based on the results of phage display, the interactions between three glyco replica peptides and glucoamylase were investigated by molecular dynamics simulation.
基于噬菌体展示的结果，对三种拟糖多肽与葡糖淀粉酶的相互作用进行了分子动力学模拟。
On the platform of the ADAMS/CAR secondary development module, the MB dynamics simulation model of the virtual prototype of a domestic light bus has been created.
以ADAMS/CAR二次开发模块为平台，建立了国产某小型客车虚拟样机的多体系统动力学仿真模型。
This paper attempts to establish systems dynamics simulation model, and reflects its complex relations with the model in flow graph thus to reflect the objective.
本文尝试通过建立系统动力学仿真模型，用模型中的流图来反映其复杂的关系从而反映客观实际。
Established a lateral and vertical semi-active secondary suspension tilting train model with self-steering radial bogies via dynamics simulation software SIMPACK.
利用动力学软件SIMPACK建立了具有二系横向和垂向半主动悬挂自导向式摆式客车动力学模型。
The molecular dynamics simulation was adopted to investigate the crystallization in water solution under the conditions of various magnetic fields and temperatures.
采用分子动力学模拟方法对不同磁场、温度条件下水溶液的结晶过程进行了模拟研究。
In this work, the theoretic methods including group contribution method and molecular dynamics simulation are used to estimate the properties of high-density fuels.
本文研究了采用基团贡献法和分子动力学模拟计算和预测燃料物性的理论方法，对高密度燃料的物性进行了计算。
The results show that dynamics simulation technology can help engineer improve the production design level and reduce development costs and shorten development period.
结果表明，多体动力学仿真技术可以帮助工程技术人员提高产品的设计质量，降低开发成本，缩短开发周期。
The basic result of system dynamics simulation shows that the long term trend of urban land change is a "s shaped" curve, and the fastest period is between 1980 and 2030.
系统动力学模型的基本模拟结果显示，城镇用地的长期变化趋势是一种“S”型的增长规律，从1980年至2030年是城镇用地变化的快速增长阶段。
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