molecular dynamics method 中文意思是什麼

molecular dynamics method 解釋
分子動態學法
  • molecular : adj. 分子的,由分子形成的,分子內[間]的。adv. -ly
  • dynamics : n. pl. 1. 〈用作 sing. 〉 力學；動力學。2. 動力，原動力。3. 動態。4. 【音樂】力度強弱法。
  • method : n 1 方法，方式；順序。2 （思想、言談上的）條理，規律，秩序。3 【生物學】分類法。4 〈M 〉【戲劇】...
  1. The molecular dynamics simulation method has been used to study the relation between the melting temperature and the cohesive energy of pb nanofilms

    摘要本文利用分子動力學方法研究了鉛納米薄膜的熔化溫度與結合能的關系。
  2. In chapter 5, we study the heat transport of single - wall carbon nanotubes by using molecular dynamics method

    第五章採用分子動力學方法對單壁碳納米管的熱輸運性質作了初步的探索。
  3. Furthermore, we discuss the application of molecular dynamics method on heat transport of single - wall carbon nanotubes

    此外，我們還簡要探討了分子動力學方法在單壁碳納米管熱輸運性質研究中的應用。
  4. A computer simulation tracing study for the rapid cooling process of electronic material ga system consisting of 1000 atoms has been performed by using molecular dynamics mothod. adopting the honeycutt - andersen ( ha ) bond - type index method and the cluster - type index method, the bond - types and the basic cluster configurations formed by metal ga atoms have been analyzed

    採用分子動力學方法對由1000個原子組成的電子材料ga原子系統的快速凝固過程進行了計算機模擬跟蹤研究，運用ha鍵型指數法和原子團類型指數法分析了原子尺度上ga的成鍵類型和形成的基本原子團結構。
  5. In this paper, molecular dynamics simulation is carried on the nanometric cutting of defect - free monocrystalline silicon. based on simulations, a reasonable explanation is given to the forming mechanism of chip and surface machined in the cutting process of monocrystalline silicon. moreover, the feasibility of brittle - ductile transition of monocrystalline silion is studied with the method of first principle stress

    對內部無缺陷的單晶硅的納米切削過程進行了分子動力學模擬.通過模擬結果，對單晶硅納米切削中的切屑形成過程和加工表面的形成過程做出了合理的解釋.並用第一原理應力計算方法對單晶硅納米切削過程中的脆塑轉變的可行性進行了研究
  6. Surface effect, tension and bending of nano single - crystal copper are researched on the basis of molecular dynamics using the eam ( embedded atom method ) potential

    本文主要應用分子動力學方法對納米單晶銅桿的表面效應及拉伸、彎曲性能做了分析和研究。
  7. A relaxation surface effect is simulated on the basis of a molecular dynamics using the eam ( embedded atom method ) potential by applying a periodic boundary condition for copper. surface atom ' s potential, stress and position changes are presented

    運用分子動力學方法對納米單晶銅在接近絕對零度下的表面效應進行了分析，給出了表面原子位置變化、能量大小、應力的大小。
  8. Using the modified analytic embedded - atom method ( maeam ), the molecular dynamics ( md ) simulation was performed to study the premelting and melting behavior of ( 001 ) plane of niobium and tungsten

    摘要採用改進分析型嵌入原子方法（ maeam ） ，對鈮、鎢晶體的（ 001 ）面預熔和熔化過程進行分子動力學模擬。
  9. At present, the studies on this are mainly focus on the surface geometry structure. little is payed for the electronic structure. in this dissertation, the surface properties of high miller index surface of metals and semiconductors were studies by using the molecular dynamics method, the scattering theoretical method and the ab initio quantum mechanical molecular dynamics simulations

    金屬和半導體材料的高密勒指數表面是目前表面科學研究的一個熱點問題，也是值得更進一步研究的問題，目前的研究主要集中在對表面幾何結構的確定，而對表面電子特性的認識幾乎很少涉及，本文根據目前實驗上對一些表面已有的研究結果，在理論上對一些金屬、半導體的高密勒指數表面的表面能和表面電子結構進行了研究。
  10. It is an important topic of molecular reaction dynamics to study the chemical reaction with the method of the quantum theories

    用量子理論的方法來研究化學反應的動力學規律是其重要課題之一。
  11. The latter plays a very important role in the study of the mechanism and dynamics of the recognition. it includes the molecular modeling, confirming the binding sites, the calculation of interactions between receptor and ligand, the docking research of the complex, the calculation of dynamic and thermodynamic properties etc. many theoretical calculation methods are involved, such as quantum chemistry, molecular mechanisms, molecular dynamics, monte carlo method and free energy calculation and so on

    其中計算機模擬方法是研究分子識別機制及其動態過程的重要途徑，包括底物及受體分子模型的構建、底物及受體相互作用位點的確定、相互作用力的計算、底物及受體分子的對接及其動態過程的研究、體系熱力學及動力學性質的計算等方面內容。
  12. In the second part of this paper, principle, method, potential ' s choose and use in eos of molecular dynamics ( md ) simulation was narrated. to conduct an experiment will spend much money and many times, so the theory calculation of eos is important. in the end we use md to calculate the eos of argon and the results is agreement with the experiment ' s results

    在本文的第二部分，著重闡述了分子動力學模擬的原理、方法、對勢的選取和它在狀態方程計算中的應用，在實驗需要大量的時間和費用的情況下，狀態方程的理論計算更是實驗的必要補充和理論指導；在第二部分的結尾運用分子動力學模擬對惰性氣體氬進行了理論計算，所得結果與實驗在低壓部分符合的很好。
  13. Based on the principle of molecular dynamics, a sampling method in direct simulation monte carlo ( dsmc ) method for molecular total and translational energy, and the heat flux vector nearby the wall boundary is proposed

    摘要從分子動力學出發，討論了直接模擬蒙特卡羅方法中分子平均總能量、平均平動能以及邊界熱流密度的抽樣方法。
  14. Freezing atom method for molecular dynamics simulations

    分子動力學模擬的冷凍原子法
  15. In chapter 2, we mainly describe the fundamental theories about molecular dynamics method and transfer matrix method

    第二章為基本理論，著mastershipdissertation ， xiangtanuniversity重介紹了分子動力學方法和轉移矩陣方法。
  16. Method a coarse grained molecular dynamics method is adopted to simulate the collapse of the biomolecules with two kinds of sequence composition

    方法基於粗粒化分子動力學模擬方法，研究均勻分子鏈和非均勻分子鏈的自組織坍塌過程。
  17. Thirdly, basic approaches of molecular dynamics simulation, which include building the model potential, potential truncation, short - range interaction computations, integration methods, boundary conditions and so on, are studied in detail. they are discussed in detail which include preparations for data before simulating, control method during simulating, different factors related to equilibration of simulating systems, observation of atomic structure after simulating, statistic and control methods of macro characters

    再次，深入研究了分子動力學模擬的基本演算法，包括物理建模、勢能截斷、計算短程作用力的方法、時間求積演算法和邊界條件問題等，並詳細討論了分子動力學模擬前的數據準備工作、運行時的控制方法、影響系統達到平衡狀態的各種因素和模擬后對原子結構的觀測以及宏觀特性的統計控制方法。
分享友人
分享到 Line

分享到臉書