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计算机分子动力学
相关语句
  computer molecular dynamics
     Computer Molecular Dynamics (CMD) methods are playing an increasingly important role in the investigation of the structure and properties of materials.
     计算机分子动力学方法在对材料的结构和性质的研究中正扮演着一个重要的角色 .
短句来源
     In the paper, the author simulates the transformation process by computer molecular dynamics method.
     因此用计算机分子动力学方法来模拟这一相变过程
短句来源
  “计算机分子动力学”译为未确定词的双语例句
     Molecular Dynamics Simulation of BaF 2·ZrF4
     玻璃新材料ZrF_4·BaF_2的计算机分子动力学模拟
短句来源
     The research methods include AFM,FFM , LB technique , surface force apparatus , quartz crystal microbalance , IR , XPS and moleculardynamic simulation, etc.
     在研究方法上主要是原子力显微镜、LB膜技术、表面力装置、石英晶体微量天平、红外、电子能谱和计算机分子动力学模拟等。
短句来源
     Examples of applying MDsimulation to new technique researches cover topics as surface and interface,complex fluids,supercritical fluids and membranes. The principles and future of MD simulation are alsodiscussed. It can be concluded that MD simulation has created many opportunities for the developments of chemical engineering,and it will play a much more important role in the future.
     综述了计算机分子动力学(MD)模拟的原理及其在化学工程,尤其是化工新技术研究方面的应用.文中提及的实例涉及表面及界面、复杂流体、超临界流体和膜等领域.对MD模拟今后的发展,包括其在化工研究中的作用也进行了评述.
短句来源
     In the process of studying on the liquid-vapor interface, the number of slabs of system will influence the conduct of working out statistic thermodynamics properties.
     在对气液界面层内热力学性质研究中,对计算机分子动力学模拟体系切片的划分影响着对其热力学性质的统计。
短句来源
  相似匹配句对
     The Calculational Simulation of Molecule Reaction Dynamics
     分子反应动力学计算机模拟
短句来源
     Quasi-molecular Dynamics
     准分子动力学
短句来源
     The Dynamics of Molecular Motor
     分子马达动力学
短句来源
     Progress on Molecular Computer
     分子计算机的研究进展
短句来源
     MOLECULAR DYNAMICS SIMULATIONS OF SUPERCOOLED LITHIUM CHLORIDE GLASS
     LiCl玻璃急冷过程的分子动力学计算机模拟研究
短句来源
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  computer molecular dynamics
This paper describes shear and tensile deformation of bicrystalline aluminum by computer molecular dynamics.
      
In this paper, the surface tension of the ∑9 grain boundary for α-Fe at various temperatures and pressures is calculated by means of Computer Molecular Dynamics (CMD).
      
In this paper, based on the results of computer molecular dynamics (MD) methods, we point out that the velocity distribution of low-mass classical particles subjected to a strong force field in a heavy atom environment is generally noncanonical.
      


The grain boundary is an interface, and the surface tension is one of its important thermodynamic property. In this paper, the surface tension of the grain boundary for α-Fe,Σ= 9 at various temperatures and pressures is calculated by means of Computer Molecular Dynamics (CMD). The results agree satisfactorily with the experimental data. It is shown that the contribution of entropy to surface tension of- grain boundary can be ignored.The grain boundary is an interface, and the surface tension is one of its important...

The grain boundary is an interface, and the surface tension is one of its important thermodynamic property. In this paper, the surface tension of the grain boundary for α-Fe,Σ= 9 at various temperatures and pressures is calculated by means of Computer Molecular Dynamics (CMD). The results agree satisfactorily with the experimental data. It is shown that the contribution of entropy to surface tension of- grain boundary can be ignored.The grain boundary is an interface, and the surface tension is one of its important thermodynamic property. In this paper, the surface tension of the grain boundary for α-Fe,Σ= 9 at various temperatures and pressures is calculated by means of Computer Molecular Dynamics (CMD). The results agree satisfactorily with the experimental data. It is shown that the contribution of entropy to surface tension of- grain boundary can be ignored.

晶界也是一种界面。表面张力是晶界的一个重要的热力学量。本文采用计算机分子动力学模拟(CMD)方法计算 α-Fe,∑=9 的晶界在不同温度和压力下的表面张力,结果与实验值的比较是满意的。发现熵对晶界的表面张力的贡献是很小的,通常可以忽略不计。

Early in the 19th century, the characters of friction process on atomic or molecularlevel had been studied. However, the concept of microtribology was proposed until 1980's whenatomic force microscope (AFM) and frictional force microscope (FFM) came out. To develop themicrotribology research, researching advances and the research methods were reviewed. On thebasic research, it was proposed for boundary lubrication; on the application research, it wasproposed for the lubrication of magnetic headerdisk system....

Early in the 19th century, the characters of friction process on atomic or molecularlevel had been studied. However, the concept of microtribology was proposed until 1980's whenatomic force microscope (AFM) and frictional force microscope (FFM) came out. To develop themicrotribology research, researching advances and the research methods were reviewed. On thebasic research, it was proposed for boundary lubrication; on the application research, it wasproposed for the lubrication of magnetic headerdisk system. The research methods include AFM,FFM , LB technique , surface force apparatus , quartz crystal microbalance , IR , XPS and moleculardynamic simulation, etc. It was mainly applied in tribology of high density magnetiy recordingsystem, micromachine, manufacture of integrated circuit (IC) , microfriction, microwear andmicroadherence etc. In addition, some problems to which should be pay attention in future ofmicrotribology research were point out.

早在十九世纪中叶就有人试图从原子、分子水平上揭示摩擦过程的本质,然而直到原子力显微镜和摩擦力显微镜问世之后的本世纪八十年代,学术界才明确提出了微观摩擦学这个概念。为了推动微观摩擦学的发展,对微观摩擦学的研究方法及其最新研究进展作了综合介绍与评述。微观摩擦学在基础研究方面首先是从边界润滑之研究提出的,而在应用方面则是从磁头-盘之润滑提出的;在研究方法上主要是原子力显微镜、LB膜技术、表面力装置、石英晶体微量天平、红外、电子能谱和计算机分子动力学模拟等。目前,微观摩擦学主要应用于高密度磁纪录介质的摩擦学研究,同时还应用于微型机械和大规模集成电路的制造,以及微观摩擦、粘着与磨损行为的基础研究等方面,除此以外,还简明地指出了今后微观摩擦学研究应当重视的若干问题。

This article reviews the applications of molecular dynamics(MD) simulation in chemical engineering,,especially in new technique researches.Examples of applying MDsimulation to new technique researches cover topics as surface and interface,complex fluids,supercritical fluids and membranes.The principles and future of MD simulation are alsodiscussed.It can be concluded that MD simulation has created many opportunities for the developments of chemical engineering,and it will play a much more important role in the...

This article reviews the applications of molecular dynamics(MD) simulation in chemical engineering,,especially in new technique researches.Examples of applying MDsimulation to new technique researches cover topics as surface and interface,complex fluids,supercritical fluids and membranes.The principles and future of MD simulation are alsodiscussed.It can be concluded that MD simulation has created many opportunities for the developments of chemical engineering,and it will play a much more important role in the future.

综述了计算机分子动力学(MD)模拟的原理及其在化学工程,尤其是化工新技术研究方面的应用.文中提及的实例涉及表面及界面、复杂流体、超临界流体和膜等领域.对MD模拟今后的发展,包括其在化工研究中的作用也进行了评述.

 
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