November 03 (Friday)
멀티스케일 해석과 설계(II)
Oral,
제15발표장(402B호),
11:00~12:00
  • Chair :
  •  유승화(KAIST)
Fr15C-3
11:00~12:00
축소 분자동역학 전산 모사를 활용한 액정 고분자 광변형의 메조 스케일 해석
문정환, 김병조, 최준명, 조맹효(서울대학교 공과대학)
Photo-induced isomerization of Azo-functional group and corresponding mechanical deformation of crosslinked liquid crystal polymer can be applied to manufacture the artificial muscle, micromotor, micropump, and so on. Recently, many researchers are trying to impose the complex programmable deformation and mechanical rigidity on the photo-responsive polymer (PRP) via utilizing combination of various liquid crystalline phases (such as nematic, smectic, chiral nematic) and polydomatin nematic structure. However, full-atomistic description of molecular dynamics simulation has limitation on describing these structures due to high computational costs. Therefore, we have developed the meso-scale potential parameters to describe various liquid crystalline phases and photo-isomerization of azobenzene moieties via the coarse-grained molecular dynamics (CG-MD) simulation. We observed the smectic layered structure of crosslinked liquid crystal polymer, which cannot be realized using conventional full-atom description. The proposed methodology and results can be utilized to analyze the meso-scale phenomena of light-induced deformation and bridge the atomistic and continuum scale simulation techniques.
Keywords : Azobenzene(아조벤젠), Liquid crystal polymer(액정고분자), Coarse-grained molecular dynamics (축소 분자동역학), Photo-isomerization(광이성질화)
Paper : Fr15C-3.pdf

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