相关论文: Configurational Prigogine-Defay ratio
In this note we revisit the Kovacs effect, concerning the way in which the volume of a glass-forming liquid, which has been driven out of equilibrium, changes with time while the system evolves towards a metastable state. The theoret- ical…
There is an ever-growing need for predictive models for the elasto-viscoplastic deformation of solids. Our goal in this paper is to incorporate recently developed out-of-equilibrium statistical concepts into a thermodynamically consistent,…
We describe a model for the thermodynamics and dynamics of glass-forming liquids in terms of excitations from an ideal glass state to a Gaussian manifold of configurationally excited states. The quantitative fit of this three parameter…
In this work, we study the dynamics of complex systems with time-dependent transition rates, focusing on $p$-adic analysis in modeling such systems. Starting from the master equation that governs the stochastic dynamics of a system with a…
The recent development of the calculation of specific heat ($C$) of liquids and glasses by first-principles molecular dynamics (MD) simulations is reviewed. Liquid and glass states have common properties in that there is no periodicity and…
The glass transition, extensively studied in dense fluids, polymers, or colloids, corresponds to a dramatic evolution of equilibrium transport coefficients upon a modest change of control parameter, like temperature or pressure. A similar…
The ratio between the couplings of a relaxational process to compression and shear, respectively, is calculated in the Eshelby picture of structural rearrangements within a surrounding elastic matrix, assuming a constant density of stable…
In the context of a classical example of glass-formation in 3-dimensions we exemplify how to construct a statistical mechanical theory of the glass transition. At the heart of the approach is a simple criterion for verifying a proper choice…
The shapes of cooperatively rearranging regions in glassy liquids change from being compact at low temperatures to fractal or ``stringy'' as the dynamical crossover temperature from activated to collisional transport is approached from…
We show that a glass transition, signaled by a peak in the specific heat vs. temperature, can occur because a glassy system that shows no signs of aging progresses so slowly through the energy landscape that the time needed to obtain an…
In the framework of the Eliashberg formalism the free energy difference between the superconducting and normal state for the molecular metallic hydrogen was calculated. The pressure values $p_{1}=347$ GPa and $p_{2}=428$ GPa were taken into…
This paper is an extended version of an article accepted for publication in Physical Review E. Besides its fundamental interest, the model that we investigate in this article is simple enough to be used as a basis for courses or tutorials…
A fundamental problem of glass transition is to explain the jump of heat capacity at the glass transition temperature $T_g$ without asserting the existence of a distinct solid glass phase. This problem is also common to other disordered…
Using molecular dynamics simulation we examine changeovers among crystal, glass, and liquid at high density in a two dimensional binary mixture. We change the ratio between the diameters of the two components and the temperature. The…
The $\beta$-relaxation associated with the sub-glass transition temperature ($T_{\text{g},\beta}$) is attributed to fast, localised molecular motions which can occur below the primary glass transition temperature ($T_{g\alpha}$). Despite…
Despite decades of research, it remains to be established whether the transformation of a liquid into a glass is fundamentally thermodynamic or dynamic in origin. While observations of growing length scales are consistent with thermodynamic…
We propose and numerically implement a local probe of the static self-induced heterogeneity characterizing glass-forming liquids. The method relies on the equilibrium statistics of the overlap between pairs of configurations measured in…
In molecular dynamics simulations of soft glass-formers interacting via repulsions, we find that the glass transition temperature, dynamical heterogeneity, and glass fragility reach their maxima at the same crossover pressure $P_d$. Our…
When we lower the temperature of a liquid, at some point we meet a first order phase transition to the crystal. Yet, under certain conditions it is possible to keep the system in its metastable phase and to avoid crystallization. In this…
In this work, we show that above the glass transition there exists a strong unique interrelationship between the thermodynamic parameter of disorder of a metallic glass derived using its excess entropy, diffraction measure of disorder given…