Hanyang University · Engineering
최준명 교수의 연구실은 분자 동역학 시뮬레이션을 기반으로 한 고분자 소재의 광기계적 거동과 기계적 거동을 원자 수준에서 규명하는 데 초점을 맞추고 있습니다. 특히 광자극성 고분자 네트워크, 접착제의 선택적 분리 메커니즘, 그리고 리튬이온 배터리의 유기 전극 안정화를 위한 전해질 설계 등 응용 중심의 고도화된 소재 설계를 추구합니다. 이는 전자기기, 에너지 저장 장치, 지속 가능한 제조 공정 등 다양한 산업 분야에 기여할 잠재력을 지닙니다.
Figures are computed from collected data and may differ slightly.
With growing sustainability concerns, the need for products that facilitate easy disassembly and reuse has increased. Adhesives, initially designed for bonding, now face demands for selective removal, enabling rapid assembly-disassembly and efficient maintenance across industries. This need is particularly evident in the display industry, with the rise of foldable devices necessitating specialized adhesives. A novel optically clear adhesive (OCA) is presented for foldable display, featuring a un
The opto-mechanical properties of a photo-responsive nematic polymer network (PRPN) are investigated using molecular dynamics simulation. For the implementation of the trans-to-cis isomerization of azo compounds, a switchable potential formalism for the N = N bond is applied to the crosslinked PRPN unit cell model. During the light switch-on and heating-up simulations at a wide range of temperatures, the scalar orientational order parameter for the mesogenic side group molecules, the effective p
We investigated the optical and thermal actuation behavior of densely cross-linked photoresponsive polymer (PRP) and polymer nanocomposites containing gold nanoparticles (PRP/Au) using all-atom molecular dynamics (MD) simulations. The modeled molecular structures contain a large number of photoreactive mesogens with linear orientation. Flexible side chains are interconnected through covalent bonds under periodic boundary conditions. A switchable dihedral potential was applied on a diazene moiety
The origin of the mechanical properties of highly cross-linked epoxy networks was theoretically investigated from a subcontinuum perspective. By use of all-atom molecular dynamics (MD) simulations, the macromolecular network of epoxy formed during the cross-linking reactions was classified into subgroups according to their bonding relationship. The deformation energy density applied to the entire system under mechanical loading is expressed by the contribution of each subgroup. The load transfer
Abstract The potential of organic electrodes in lithium‐ion batteries (LIBs) is highlighted by their cost‐effectiveness and natural abundance. However, the dissolution of the active material in the electrolyte is a major obstacle to their use in LIBs. Although high‐concentration electrolytes (HCEs) have been proposed to address this issue, they face challenges such as high viscosity, poor wettability, and suboptimal ion conductivity. Hence, this study introduces diluted electrolytes as non‐solva
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