Prospectives of Industrial Chemistry (공업화학전망)

The Korean Society of Industrial and Engineering Chemistry (한국공업화학회)
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Recent Research Trend in Functional Glasses Through Computational and Theoretical Modeling

전산모델링 기반 기능성 유리 소재 연구동향

  • Ahn, Yong Nam (Department of Chemical and Biological Engineering, Gachon University)
  • 안용남 (가천대학교 화공생명공학과)
  • Published : 2021.06.30

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Abstract

유리 소재는 뛰어난 기계적, 화학적, 광학 특성으로 인해 다양한 영역에서 광범위하게 활용되어 왔으며, 최근에는 특정 물성이 강화된 기능성 유리 수요가 다양한 산업 영역에서 급속히 증가하고 있다. 유리 소재 분야에서의 연구 개발은 유리 특유의 비정질 구조 및 다원소 조성 특성에 의한 복합성 때문에 전통적으로 경험에 기반한 실험 기법에 의존하여 왔다. 그러나 적용 분야에 따른 맞춤형 물성 강화에 대한 필요성이 증대됨에 따라, 핵심 물성 발현 원리 등을 원자 단위에서 이해하고 이를 바탕으로 기능성 유리 소재를 설계하는 접근법이 주목받고 있다. 원자단위 시뮬레이션 및 이론 기반 모델링은 유리 소재의 다양한 물성과 조성 변화에 따른 원자 구조의 상관관계를 매우 효율적으로 분석할 수 있는 기법이다. 본 기고문 에서는 밀도범함수이론, 분자동역학 및 위상속박이론을 활용한 기능성 유리 소재 개발 및 연구 동향에 대해서 소개하고자 한다.

Keywords

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