| 세션명 | 미래소재: 인공 공감각 일렉트로닉스 소재 |
|---|---|
| 발표장 | 제5회장 |
| 논문코드 | 1L5-7 |
| 발표일 | 2021-10-21 |
| 발표시간 | 16:50-17:15 |
| 논문제목 | Crystal Structures of Fluoropolymers and Their Piezoelectric Properties: A Molecular Simulation Approach |
| 발표자 | 허준 |
| 발표자 소속 | 고려대학교 |
| 저자 | 허준†, 박철민1 |
| 소속 | 고려대학교; 1연세대학교 |
| 논문초록 | Crystal structures of fluoropolymers (FPs) and their properties were investigated using molecular simulations, focusing on the relation between structure (chemical structure of FP monomers and crystal structure) and piezoelectric property for the series of FPs including polyvinylidene fluoride (PVDF) and its variants. For molecular simulations, Monte Carlo (MC) simulations and density functional perturbation theory (DFPT) were employed to predict the crystal structure and piezoelectric properties, respectively, and the sampling of FPs in the molecular space was carried out by mutating PVDF using dynamic Monte Carlo sampling. |
THE POLYMER SOCIETY OF KOREA