Statistical polyhedral geometry analysis of the short range order transformations in disordered and nanostructured metallic phases using MD-simulation results and diffraction data

Stability and thermal evolution of transition metal and silicon clusters

“…For example, in the case of the Au 135 cluster, the transformation of the fcc structure into the Ih structure occurred during heating at 395 ± 405 K, while during cooling, the structure instability region was manifested as sharp energy changes at higher temperatures (in the 520 ± 530 K range). 63 The transformations were manifested most clearly as the shift to higher temperature of kinks and peaks corresponding to isomerization. In the case of the Cu 201 cluster, this thermal size effect is manifested as a sharp decrease in the energy (actually, a kink) in the 750 ± 755 K range and as resolution of an additional structure as a prepeak (see Fig.…”