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Equilibrium phase diagram of a randomly pinned glassformer
 Author:
 Ozawa, Misaki, Kob, Walter, Ikeda, Atsushi, Miyazaki, Kunimasa
 Source:
 Proceedings of the National Academy of Sciences of the United States of America 2015 v.112 no.22 pp. 69146919
 ISSN:
 00278424
 Subject:
 entropy, glass, glass transition, physical phases
 Abstract:
 We use computer simulations to study the thermodynamic properties of a glassformer in which a fraction c of the particles has been permanently frozen. By thermodynamic integration, we determine the Kauzmann, or ideal glass transition, temperature [Formula] at which the configurational entropy vanishes. This is done without resorting to any kind of extrapolation, i.e., [Formula] is indeed an equilibrium property of the system. We also measure the distribution function of the overlap, i.e., the order parameter that signals the glass state. We find that the transition line obtained from the overlap coincides with that obtained from the thermodynamic integration, thus showing that the two approaches give the same transition line. Finally, we determine the geometrical properties of the potential energy landscape, notably the T  and c dependence of the saddle index, and use these properties to obtain the dynamic transition temperature [Formula]. The two temperatures [Formula] and [Formula] cross at a finite value of c and indicate the point at which the glass transition line ends. These findings are qualitatively consistent with the scenario proposed by the random firstorder transition theory.
 Agid:
 2304635

http://dx.doi.org/10.1073/pnas.1500730112