화학공학소재연구정보센터
Journal of Crystal Growth, Vol.274, No.1-2, 47-54, 2005
Molecular dynamics study of homogeneous crystal nucleation in amorphous silicon
We successfully simulated homogeneous crystal nucleation in well-relaxed amorphous silicon by using molecular dynamics. The critical nucleus size evaluated by structural parameters such as potential energy, ring statistics, and bond-angle deviation. amounted to about 30-50 atoms. The shape of nucleus was nearly spherical. The results agree with the experimental data very well. (C) 2004 Elsevier B.V. All rights reserved.