| 학회 |
한국고분자학회 |
| 학술대회 |
2008년 봄 (04/10 ~ 04/11, 컨벤션 뷰로(대전)) |
| 권호 |
33권 1호 |
| 발표분야 |
고분자 구조 및 물성 |
| 제목 |
Efficient Lattice Monte Carlo Method for Simulating Ring Polymers |
| 초록 |
We applied a new, efficient Monte Carlo (MC) simulation method to investigate linear and ring polymers in densely packed melt states. The movement algorithm including four kinds of motions, comprised of end-bond motion, kink-jump motion, crankshaft motion and kink-diffusion motion, showed a faster equilibration as compared with the conventional method that includes three kinds of motions without the kink-diffusion for linear polymer melts. In comparison, for the ring polymers which do not have chain ends, we found that the addition of the kink-diffusion motion resulted in much faster relaxation in melt chains as compared with the results obtained with the two moves without the kink-diffusion. Therefore, this new MC method is ideally suited to investigate the equilibrium and dynamical properties of ring polymer melts of very high chain lengths. |
| 저자 |
이상익1, Thomas Vettorel2, 윤도영3, Kurt Kremer1
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| 소속 |
1서울대, 2Max-Plank-Institute for Polymer Research, 3Germany |
| 키워드 |
Monte Carlo; Theory; Ring polymer; Simulation
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| E-Mail |
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