http://chineseinput.net/에서 pinyin(병음)방식으로 중국어를 변환할 수 있습니다.
변환된 중국어를 복사하여 사용하시면 됩니다.
- 中文 을 입력하시려면 zhongwen을 입력하시고 space를누르시면됩니다.
- 北京 을 입력하시려면 beijing을 입력하시고 space를 누르시면 됩니다.
RISS 인기검색어
- 검색키워드
- 저자 : 서동화 ( Dong-hwa Seo ) (검색결과 3 건)
- 무료
- 기관 내 무료
- 유료
-
Pymatgen 패키지를 이용한 구조 생성 및 제일원리계산에의 적용
이대형 ( Dae-hyung Lee ),서동화 ( Dong-hwa Seo ) 한국전기전자재료학회 2022 전기전자재료학회논문지 Vol.35 No.6
밀도범함수이론(density functional theory, DFT)이 등장한 이래로, 이를 재료과학에 적용하여 에너지 재료 및 반도체와 같은 전자재료들의 연구개발에 활발하게 활용되고 있다. 하지만 DFT 계산 프로그램을 실행할 때 필요한 입력파일 생성 시 여러 가지 소재들에 대해 동일한 계산 조건을 맞춰 주고 파라미터들을 알맞게 설정해 줘야 올바른 계산결과 비교가 가능한데, 이런 부분들에 대해 진입 장벽이 높다는 어려움이 있다. 이에 본 논문에서는 Python Materials Genomics (pymatgen) 파이썬 패키지를 이용해 분자 및 결정구조를 다루고 널리 사용되는 DFT 계산 프로그램인 Vienna Ab initio Simulation Package (VASP) 및 Gaussian 입력 파일 생성에 대해 소개하고자 한다. 이를 통해 해당 프로그램에 대한 전문적인 지식이 많지 않더라도 보다 일관적인 계산 조건에서 결과들을 손쉽게 수행할 수 있게 되기를 기대한다. Computational material science as an application of Density Functional Theory (DFT) to the discipline of material science has emerged and applied to the research and development of energy materials and electronic materials such as semiconductor. However, there are a few difficulties, such as generating input files for various types of materials in both the same calculating condition and appropriate parameters, which is essential in comparing results of DFT calculation in the right way. In this tutorial status report, we will introduce how to create crystal structures and to prepare input files automatically for the Vienna Ab initio Simulation Package (VASP) and Gaussian, the most popular DFT calculation programs. We anticipate this tutorial makes DFT calculation easier for the ones who are not experts on DFT programs.
-
분자동역학을 이용한 흑연 위에서의 2종 합금 나노입자의 확산 거동 연구
박준우 ( Joon Woo Park ),이주성 ( Ju Seong Lee ),민찬호 ( Chan Ho Min ),이현석 ( Hyun Seok Lee ),류지훈 ( Ji Hoon Ryu ),서동화 ( Dong Hwa Seo ),이혁모 ( Hyuck Mo Lee ) 대한금속·재료학회 2009 대한금속·재료학회지 Vol.47 No.8
We study the diffusion of Ag based bimetallic nanoclusters supported on graphite. Using a molecular dynamics simulation, we reveal that the Ag clusters show rapid diffusion because of their hexagonal bottom layer. In order to decrease the rate of diffusion, we added Pt and Ni to distort the structure of the alloy cluster (i.e., the alloying method). We expected Pt to provide a stronger force on Ag atoms, and Ni to shorten the bond length and thereby change the structure of Ag cluster. However, the attempt was unsuccessful, because Pt and Ni atoms formed cores inside the Ag clusters. We therefore designed a collision system where large Ag clusters collide with small Pt or Ni clusters. Upon collision with Pt clusters, the diffusion showed little change, because Pt atoms are substituted at the Ag atomic site and form a perfectly ordered structure. The collision with Ni, however, deforms the bottom layer as well as the overall cluster structure and decreases diffusion. This outcome appoints toward the possibility of further application to the manufacture of durable nanocatalysts.
-
이근배,최태석,서동화 한국체육대학교 2001 論文集 Vol.24 No.-
The study develops the course of specialized and phased education teaching fencing effectively, improving capacity while playing cultivating high-quality human resources. It will be able to present the following process for above subject. First, training theory and methodology : The process is to advance expert knowledge and ability to manage competition that will be applied originally from special field to the spo teaching fencing. Second, educational method and teaching theory: The process is for fencers (players) to elevate ability which is necess with leader and referee as well as improve the skill. Third, theory of sports equipment and training facility: The process deal with actual subject such as fencing equipment facility, formation and management in fencing etc.. Forth, the fencing in view of medical science, biology, psychology : This process consider fencing from psysiology, sports medicine, psychology.
ScienceON
KISS연관 검색어 추천
이 검색어로 많이 본 자료
활용도 높은 자료
