TY - JOUR
T1 - Glass-transition behavior of Ni
T2 - Calculation, prediction, and experiment
AU - Louzguine-Luzgin, Dmitri V.
AU - Belosludov, Rodion
AU - Saito, Masatoshi
AU - Kawazoe, Yoshiyuki
AU - Inoue, Akihisa
N1 - Funding Information:
This work was partially supported by a Grant-in-Aid “Priority Area on Science and Technology of Microwave-Induced, Thermally Non-Equilibrium Reaction Field” (Grant No. 18070001) by the Ministry of Education, Sports, Culture, Science and Technology of Japan. The authors sincerely thank Mr. T. Saito from Tohoku University for his assistance in casting the Ni sample.
PY - 2008
Y1 - 2008
N2 - Vitrification of metals and alloys has received much attention in the field of materials science. Although some progress has been made, this phenomenon has yet to be fully understood. Herein, we investigate the vitrification process of pure Ni using an ab initio molecular dynamics simulation. The results of the molecular dynamics simulation and predictions from the specific volume and density diagrams as well as a casting experiment indicate that Ni may have a high reduced glass transition temperature but due to kinetic reasons is not a good glass former. The results of the present work provide new information about the glass-transition phenomenon and suggest that the reduced glass transition temperature is only an indicator of how easily can glass be formed and that its stability is a significantly more important feature.
AB - Vitrification of metals and alloys has received much attention in the field of materials science. Although some progress has been made, this phenomenon has yet to be fully understood. Herein, we investigate the vitrification process of pure Ni using an ab initio molecular dynamics simulation. The results of the molecular dynamics simulation and predictions from the specific volume and density diagrams as well as a casting experiment indicate that Ni may have a high reduced glass transition temperature but due to kinetic reasons is not a good glass former. The results of the present work provide new information about the glass-transition phenomenon and suggest that the reduced glass transition temperature is only an indicator of how easily can glass be formed and that its stability is a significantly more important feature.
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U2 - 10.1063/1.3042240
DO - 10.1063/1.3042240
M3 - Article
AN - SCOPUS:58149270845
SN - 0021-8979
VL - 104
JO - Journal of Applied Physics
JF - Journal of Applied Physics
IS - 12
M1 - 123529
ER -