2006•Jisuanji fangzhenRequires access

Visualization of Molecular Dynamics Simulation of Nanometric Cutting

Xian Liu

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Abstract

In order to understand the mechanism of nanometric cutting better, the system of MDView, using C + + and OpenGL technologies, is developed to realize visualization of molecular dynamics (MD) simulation results of nanometric cutting. In MDView, classes of atoms are dynamically created with object - oriented technology based on the simulation model. Some technologies are also involved in optimizing the performance of visualization, including display list and details of visualization. Functions such as 3D view, sectional view and interaction are fulfilled to provide vivid observations and are found to play an important role in program debugging. MDView is finally applied to achieve visualization of nanometric cutting of single crystalline aluminum with a diamond tool by MD simulation. The results of visualization play a good part in debugging the calculating program of MD simulation of nanometric cutting and observing cutting distortion.

About this research paper

What this paper is about

In order to understand the mechanism of nanometric cutting better, the system of MDView, using C + + and OpenGL technologies, is developed to realize visualization of molecular dynamics (MD) simulation results of nanometric cutting. In MDView, classes of atoms are dynamically created with object - oriented technology based on the simulation model. Some technologies are also involved in optimizing the performance of visualization, including display list and details of visualization. Functions such as 3D view, sectional view and interaction are fulfilled to provide vivid observations and are found to play an important role in program debugging. MDView is finally applied to achieve visualization of nanometric cutting of single crystalline aluminum with a diamond tool by MD simulation. The results of visualization play a good part in debugging the calculating program of MD simulation of nanometric cutting and observing cutting distortion.

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Available abstract

In order to understand the mechanism of nanometric cutting better, the system of MDView, using C + + and OpenGL technologies, is developed to realize visualization of molecular dynamics (MD) simulation results of nanometric cutting. In MDView, classes of atoms are dynamically created with object - oriented technology based on the simulation model. Some technologies are also involved in optimizing the performance of visualization, including display list and details of visualization. Functions such as 3D view, sectional view and interaction are fulfilled to provide vivid observations and are found to play an important role in program debugging. MDView is finally applied to achieve visualization of nanometric cutting of single crystalline aluminum with a diamond tool by MD simulation. The results of visualization play a good part in debugging the calculating program of MD simulation of nanometric cutting and observing cutting distortion.

Key concepts: OpenGL, Visualization, Debugging, Computer science, Computer graphics (images), Molecular dynamics, Engineering drawing, Engineering

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