| Title |
Mathematical Modeling ; Study on the Calculation of the Stored Energy using a Three Dimensional Molecular Model |
| Authors |
최덕기(Deok Kee Choi); 유한규(Han Kyu Ryu) |
| ISSN |
1738-8228(ISSN), 2288-8241(eISSN) |
| Keywords |
Molecular dynamics; Dislocation; Stored energy |
| Abstract |
This paper addresses a theoretical approach to calculate the amount of the stored energy during a deformation using atomistic level simulation. During a deformation, only a small percent of the energy input is stored in the material, and most of input energy is converted into heat. The cause of the temperature rise within materials is traditionally credited to dislocations, vacancies and other defects. An atomistic material model for fcc such as copper is used to calculated the stored elastic energy. The potential energy is obtained by a molecular dynamics (MD) simulation. Two different states are considered for comparison: one is a perfect state and the other is a state with dislocations. The calculated potential energies in these two states are compared. The difference in the potential energies is considered the amount of the stored elastic energy of dislocations. The conversion factor, i.e., the fraction of the input energy that is stored as elastic energy within a material is then calculated. (Received December 22, 2003) |