Dissertation > Excellent graduate degree dissertation topics show

Molecular Dynamics Simulation of Bimetal Rolling Nanoscale Problems

Author: GuoFengChen
Tutor: DuGuoJun
School: Yanshan University
Course: Engineering Mechanics
Keywords: Molecular Dynamics Verlet algorithm Bimetallic Nano-scale Rolling
CLC: TG331
Type: Master's thesis
Year: 2011
Downloads: 51
Quote: 0
Read: Download Dissertation

Abstract


With the increasing development of nanotechnology , there is an urgent need to understand the characteristics of nano-scale . Due to the difficulties of experimental and theoretical studies , molecular dynamics simulation method has become a powerful tool to explore the nano-scale . Molecular dynamics is developed in the theoretical basis of the statistical mechanics , statistical mechanics requires observation system as large as possible , the observation time for as long as possible in order to ensure the accuracy of the conclusions of the statistical mechanics . But computer hardware resource constraints of space and time scales , molecular dynamics simulation is difficult to meet the requirements of statistical mechanics . If the alternative three-dimensional model can be two-dimensional model , not only can be multiplied to shorten the calculation cycle , as much as possible to extend the time of observation , but also the system can be calculated in the same observation time larger object , thereby reducing the introduction of periodicity, wholly reflection, diffuse reflection boundary conditions caused by the finite size effect . The main content of this paper is the application of molecular dynamics simulation of nano- metal materials rolling process , research changes of mechanical properties of nanoscale materials . Embedding potential function in the simulation of a single copper atom ; Lennard-Jones potential function in the simulation of bimetallic silver nickel . The application Verlet numerical integration algorithm , temperature control speed calibration method , through VC programming , in order to establish and analyze the calculation model . First studied the kinetic energy, potential change , change with time , the distribution of the atoms in the crystal lattice by the influence of the force between atoms start of free movement in the relaxation process . When atoms equilibrium position , its potential energy , kinetic energy corresponding to a stable value . Then the change in the parameter of the end surface atoms directly energizing Method system energy , gives the evolution of the shape of the atomic bit in the rolling process . External load acting so that the model surface failure occurs , generate a new atom bond between two different atoms . Recording the loading process of the data, obtained with the load increase in the time step , the end surface displacement curve . Finally simulation to compare different temperature of silver nickel bimetallic materials rolling process .

Related Dissertations

  1. Influence of Nanostructure on Hydrophobic Properties at TiO2 Surface Studied by Molecular Dynamics Simulation,O614.411
  2. Hydrophilic structure of different types of surface -modified polyurethane material and coagulation 12 factor nine peptide fragments,and fibrinogen P1 fragment of computer simulation of the interaction,O631.3
  3. Molecular Dynamics Simulations of Temperature Effects on Pt/Au Heteroepitaxial Growth,O484.1
  4. Molecular Dynamics Simulations of Structural Relaxation of Two-dimensional Lattice Mismatch Epitaxial Aluminum Thin Film,O484.1
  5. A Moledular Dynamics Simulation Study of Effects of Temperature on Epitaxial Growth in Cu-Ni Thin Flim,O611.3
  6. Molecular Modelling of Transmembrane Water Channels Based on Cyclic Peptide Nanotubes,TB383.1
  7. Research on Processings and Microstructure and Properties of HRB400MPa,TG335
  8. Research on Automatic Gauge Control of 2300 Hot Rolling,TG334.9
  9. Intvestgation of Ligand Channels and Cooperativity Mechanism in Cytochrome P450s,Q559.9
  10. Based on Neural Network Model of Hot-rolling,TP183
  11. Different electrical properties of carbon nanotubes covalently modified FAD molecular dynamics simulation,TB383.1
  12. Data Driven Rolling Bearing Fault Diagnosis Research,TH165.3
  13. Manganese steel cold rolling reverse transformation and mechanical properties of annealed,TG335.12
  14. Rolled magnesium alloy ratcheting behavior and microstructure simulation,TG339
  15. Iron- containing mesoporous carbon composite material synthesis and application of research,TB332
  16. Free Energy Calculations and Binding Analysis of Two Potential Anti-influenza Drugs with Polymerase Basic Protein-2 (PB2),R511.7
  17. Government Medium-term Rolling Budget Research,F812.3
  18. Investigation on Liquid Structure and Dynamic Properties of Several Materials by the First-Principle Method,TB301
  19. Preparation and Application of Complex Oxide Coated Nano-electrode for the Oxidation of Pollutants,X505
  20. Influence of Rolling and Cooling Processes on Microstructures and Mechanical Properties of 500MPa Steel Strip for Automobiles,TG335.5
  21. First - principles calculations and molecular dynamics simulations of the aging precipitation of CuCr alloys,TG166.2

CLC: > Industrial Technology > Metallurgy and Metal Craft > Metal pressure processing > Rolling > Rolling theory
© 2012 www.DissertationTopic.Net  Mobile