| 학회 |
한국고분자학회 |
| 학술대회 |
2013년 봄 (04/11 ~ 04/12, 대전컨벤션센터) |
| 권호 |
38권 1호 |
| 발표분야 |
고분자 이론 및 시뮬레이션 |
| 제목 |
Molecular modeling and simulations for polymer/nanomaterials under flow fields |
| 초록 |
Significant advances in the field of computer simulations (both methodological and algorithmic) and the rapid increase in computing power have led to the development of powerful multiscale simulation tools. These developments have the potential to address fundamental issues in materials science and technology by revealing the molecular origin of unique phenomena exhibited at the macroscopic level and by elucidating the structure-property-processing relationships in systems with a complex internal microstructure. In this talk, I will describe recent developments of methods of a hierarchy of simulation tools [nonequilibrium molecular dynamics (NEMD) and nonequilibrium Monte Carlo (NEMC) methods based on the principles of nonequilibrium thermodynamics/statistical mechanics] and their applications to the study of the physical properties of complex macromolecular fluids, especially under the application of an external field. |
| 저자 |
백충기 |
| 소속 |
울산과학기술대 |
| 키워드 |
nonequilibrium molecular dynamics; Monte Carlo
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| E-Mail |
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