Open AccessSIMULATION AND DISCUSSION ON THE STRUCTURE AND PROPERTIES OF NANOCRYSTALS
Author(s) -
Chang Ming,
Wei Sun,
Guo Chang-Hai,
Baohe Yang
Publication year - 1997
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.46.1326
Subject(s) - nanocrystal , materials science , grain size , grain boundary , molecular dynamics , lattice (music) , volume fraction , diffraction , condensed matter physics , chemical physics , nanotechnology , statistical physics , microstructure , physics , optics , metallurgy , composite material , quantum mechanics , acoustics
This paper provides a molecular dynamics simulation for atomic structure of nanocrystals (1—3nm).Lattice parameter.grain size and lattice distortion were computed by X-ray diffraction simulation.The results show that the basic structure of the grain and grain boundaries are the same in both nanocrystal and coarse grain materials.The decrease of grain size and the increase of volume fraction of grain boundaries lead to different properties of nanocrystals.