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The consistency across scales of a recently developed mathematical thermodynamic structure, between a continuous stochastic nonlinear dynamical system (diffusion process with Langevin or Fokker-Planck equations) and its emergent discrete,…
The glass transition temperature and its connection to statistical properties of confined and free-standing polymer films of varying thickness containing unentangled to highly entangled bead-spring chains are studied by molecular dynamics…
In this paper we consider an exactly solvable model which displays glassy behavior at zero temperature due to entropic barriers. The new ingredient of the model is the existence of different energy scales or modes associated to different…
We study the emergence of a crossover from entropically driven to thermally activated dynamics in different versions of the `entropic' phase space model introduced by Barrat and M\'ezard, and previously considered in the zero temperature…
The atomistic mechanisms occurring during the processes of aging and rejuvenation in glassy materials involve very small structural rearrangements that are extremely difficult to capture experimentally. Here we use in-situ X-ray diffraction…
The primary relaxation in glass forming supercooled liquids (SCLs) above the glass transformation temperature T_g is discussed in terms of the first-order (steepness) and the second-order (curvature) temperature derivatives of the observed…
Glasses are solid materials whose constituent atoms are arranged in a disordered manner. The transition from a liquid to a glass remains one of the most poorly understood phenomena in condensed matter physics, and still no fully microscopic…
We use molecular dynamics to investigate the glass transition occurring at large volume fraction, phi, and low temperature, T, in assemblies of soft repulsive particles. We find that equilibrium dynamics in the (phi, T) plane obey a form of…
An equation is derived that expresses the thermodynamic scaling exponent, g, which superposes relaxation times and other measures of molecular mobility determined over a range of temperatures and densities, in terms of static, physical…
Using molecular dynamics computer simulations we investigate how in silica the glass transition and the properties of the resulting glass depend on the cooling rate with which the sample is cooled. By coupling the system to a heat bath with…
A multi-time probing of density fluctuations is introduced to investigate hidden time scales of heterogeneous dynamics in glass-forming liquids. Molecular dynamics simulations for simple glass-forming liquids are performed, and a three-time…
Several theories of the glass transition propose that the structural relaxation time {\tau}{\alpha} is controlled by a growing static length scale {\xi} that is determined by the free energy landscape but not by the local dynamical rules…
We study supercooled dynamics in quantum hard-sphere liquid using quantum mode-coupling formulation. In the moderate quantum regime, classical cage effects lead to slower dynamics compared to strongly quantum regime, where tunneling…
In undercooled liquids, the anharmonicity of the interatomic potentials causes a volume increase of the inherent structures with increasing energy content. In most glass formers, this increase is stronger than the vibrational Gr\"uneisen…
We consider the stationary state of a fluid comprised of inelastic hard spheres or disks under the influence of a random, momentum-conserving external force. Starting from the microscopic description of the dynamics, we derive a nonlinear…
We applied an efficient methodology to separate vibrational and configurational entropies in bulk metallic glasses by means of molecular dynamics simulation based on a combination of non-equilibrium adiabatic switching and reversible…
We develop the Elastically Collective Nonlinear Langevin Equation theory to investigate, for the first time, glassy dynamics in capped metallic glass thin films. Finite-size effects on the spatial gradient of structural relaxation time and…
We give evidence of a clear structural signature of the glass transition, in terms of a static correlation length with the same dependence on the system size which is typical of critical phenomena. Our approach is to introduce an external,…
For the dynamical glassy transition in the $p$-spin mean field spin glass model a thermodynamic description is given. The often considered marginal states are not the relevant ones for this purpose. This leads to consider a cooling…
We investigate the thermodynamics of a Bose gas interacting with repulsive forces and confined in a harmonic trap. We show that the relevant parameters of the system (temperature, number N of atoms, harmonic oscillator length, deformation…