Fragility and glassy dynamics of 2Ca(NO3)2.3KNO3 under pressure: molecular dynamics simulations.
Molecular dynamics simulations of the glass-forming liquid 2Ca(NO3)2.3KNO3 (CKN) were performed from high temperature liquid states down to low temperature glassy states at six different pressures from 10(-4) to 5.0 GPa. The temperature dependence of the structural relaxation time indicates that the fragility of liquid CKN changes with pressure. In line with recent proposal [Scopigno et al., Science 302, 849 (2003)], the change on liquid fragility is followed by a proportional change of the nonergodicity factor of the corresponding glass at low temperature.
Ribeiro
Mauro C C
MC
Laboratório de Espectroscopia Molecular, Instituto de Química, Universidade de São Paulo, C.P. 26077, 05513-970 São Paulo, SP, Brazil. mccribei@iq.usp.br
Scopigno
Tullio
T
Ruocco
Giancarlo
G