Open AccessSIMULATION AND DISCUSSION OF THE LATTICE DISTORTION AND ELASTIC MODULUS OF NANOCRYSTALS
Author(s) -
Ming Chang,
Baohe Yang,
Chang Hao
Publication year - 1999
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.48.1215
Subject(s) - nanocrystal , materials science , elastic modulus , bulk modulus , lattice (music) , molecular dynamics , modulus , grain size , copper , distortion (music) , condensed matter physics , grain boundary , nanotechnology , composite material , physics , quantum mechanics , metallurgy , microstructure , amplifier , optoelectronics , cmos , acoustics
This paper reports a molecular dynamics simulation for atomic structure of copper nanocrystals, in which the grain size and lattice distortion were computed by X-ray differaction simulation, and the distribution of energy and elastic modulus was calculated. The results show that the lattice distortion was stored not only at grain boundaries but also in the grain. The increase of atomic radius leads to the reduction of the elastic modulus of the nanocrystals.