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나노 촉매 입자 구조 최적화를 위한 실시간 가상 환경 시뮬레이션
경우민(Woomin Kyoung),노승효(Seung Hyo Noh),David Glowacki 한국자동차공학회 2022 한국자동차공학회 학술대회 및 전시회 Vol.2022 No.11
With recent development of ICT technology, a methodology for communicating creatively and innovatively beyond time and space limitation is being introduced. VR (Virtual Reality) or AR (Augmented Reality) are the most popular technologies among these methodologies, and are being applied very actively to promote the communication between engineers for the product design in conjunction with engineering solutions such as CAE and CAD. If material engineers could adopt this innovative communication method in their development process, it would be more useful compared to the product design area. Since it usually takes a very long time and lots of cost to discover new materials due to countless number of times trials and errors through experiments. In this research we developed new methodology to discover and optimize new materials like nano sized particle catalyst using VR technology. At first, the interactive simulation engine with molecular simulation potential was introduced to predict the energy and structures based on the DFT simulation. Next, the simulation process was installed in the VR environment to deal with catalyst model and simulation. As a result, material engineers who are not familiar with simulation were easily able to perform molecular simulation on the nano sized particle catalyst, and analyze the complex structure intuitively. Finally, we could develop small scale virtual smart laboratory for the nano catalyst synthesis. So, the developing a virtual smart laboratory based on this methodology will make innovative progress of new materials design and discovery in the next generation smart factory environment.