Equilibrium phase diagram of a randomly pinned glass-former

被引:84
作者
Ozawa, Misaki [1 ,2 ]
Kob, Walter [3 ,4 ]
Ikeda, Atsushi [5 ]
Miyazaki, Kunimasa [2 ]
机构
[1] Univ Tsukuba, Inst Phys, Tsukuba, Ibaraki 3058571, Japan
[2] Nagoya Univ, Dept Phys, Nagoya, Aichi 4648602, Japan
[3] Univ Montpellier, UMR 5221, Lab Charles Coulomb, F-34095 Montpellier, France
[4] CNRS, F-34095 Montpellier, France
[5] Kyoto Univ, Fukui Inst Fundamental Chem, Kyoto 6068103, Japan
关键词
ideal glass transition; computer simulations; random first-order transition theory; Kauzmann temperature; configurational entropy; SUPERCOOLED LIQUIDS; ENERGY LANDSCAPE; TRANSITION; DYNAMICS; SYSTEMS; MIXTURE; ENTROPY; STATE;
D O I
10.1073/pnas.1500730112
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
We use computer simulations to study the thermodynamic properties of a glass-former in which a fraction c of the particles has been permanently frozen. By thermodynamic integration, we determine the Kauzmann, or ideal glass transition, temperature T-K(c) at which the configurational entropy vanishes. This is done without resorting to any kind of extrapolation, i.e., T-K(c) 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 T-d(c). The two temperatures T-K(c) and T-d(c) 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 first-order transition theory.
引用
收藏
页码:6914 / 6919
页数:6
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