计算机在材料科学与工程中的应用实验设计与指导 教学课件 ppt 作者 叶卫平Project_04.pdfVIP

MSE 1062 – COMPUTER APPLICATIONS IN MATERIALS SCIENCE Project #04 - Turn in results by 1:59pm, Monday March 23, 2009 Molecular dynamics (MD) calculations are an example of advanced computer modeling, now becoming widely used in Materials Science. In this project we will use MatLab to explore simple 1- and 2- dimensional MD. Although it will not be sophisticated enough to simulate ‘real’ materials, it will give us a flavor of how MD concepts are applied. 1) HARMONIC OSCILLATOR The simplest type of dynamics calculation involve