Related papers: Modeling glasses from first-principles using rando…
An analysis of the dynamics is performed, of exactly solvable models for fragile and strong glasses, exploiting the partitioning of the free energy landscape in inherent structures. The results are compared with the exact solution of the…
Truly stable metastable states are an artifact of the mean-field approximation or the zero temperature limit. If such appealing concepts in glass theory as configurational entropy are to have a meaning beyond these approximations, one needs…
We present a first principle scheme to compute the rigidity, i. e. the shear-modulus of structural glasses at finite temperatures using the cloned liquid theory, which combines the replica theory and the liquid theory. With the aid of the…
We present a model and protocol that enable the generation of extremely stable computer glasses at minimal computational cost. The protocol consists of an instantaneous quench in an augmented potential energy landscape, with particle radii…
We propose a numerical technique to compute the equilibrium free energy of glasses that cannot be prepared quasi-reversibly. For such systems, standard techniques for estimating the free energy by extrapolation, cannot be used. Instead, we…
Here we introduce a variation of the trap model of glasses based on softness, a local structural variable identified by machine learning, in supercooled liquids. Softness is a particle-based quantity that reflects the local structural…
With the use of {\em ab initio} based molecular dynamics simulations we study the structural, dynamical and electronic properties of glassy g-GeS$_2$ at room temperature. From the radial distribution function we find nearest neighbor…
The diffusion and flow of amorphous materials, such as glasses and granular materials, has resisted a simple microscopic description, analogous to defect theories for crystals. Early models were based on either gas-like inelastic collisions…
In these lectures I will review the approach to glasses based on the replica formalism. Many of the physical ideas are very similar to those of older approaches. The replica approach has the advantage of describing in an unified setting…
We present a first-principles-based (second-principles) scheme that permits large-scale materials simulations including both atomic and electronic degrees of freedom on the same footing. The method is based on a predictive…
An analytical framework is proposed to describe the elasticity, viscosity and fragility of metallic glasses in relation to their atomic-level structure and the effective interatomic interaction. The bottom-up approach starts with forming an…
We compute the shear modulus of structural glasses from a first principle approach based on the cloned liquid theory. We find that the intra-state shear-modulus, which corresponds to the plateau modulus measured in linear visco-elastic…
We consider the approach describing glass formation in liquids as a progressive trapping in an exponentially large number of metastable states. To go beyond the mean-field setting, we provide a real-space renormalization group (RG) analysis…
The microscopic understanding of the dramatic increase in viscosity of liquids when cooled towards the glass transition is a major unresolved issue in condensed matter physics. Here, we use machine learning methods to accelerate molecular…
We review some recent results on finite dimensional spin glasses by studying recent numerical simulations and their relationship with experiments. In particular we will show results obtained at zero and non zero temperature, focusing in the…
Understanding structural glasses using the Random First Order Transition theory requires a description in both real space and in time, taking into account sample history. A variety of nonlinear objects enter this description, in field…
We consider a simple model of a structural glass, represented by a lattice gas with kinetic constraints in contact with a particle reservoir. Quench below the glass transition is represented by the jump of the chemical potential above a…
Spin-glass systems are universal models for representing many-body phenomena in statistical physics and computer science. High quality solutions of NP-hard combinatorial optimization problems can be encoded into low energy states of…
The analytical model of a glass-forming system is formulated within the formalism analogous to gauge theory constructions in quantum field theory. This work explores the scope of the proposed approach and investigates the equilibrium…
A general method is presented for modeling high entropy alloys as ensembles of randomly sampled, ordered configurations on a given lattice. Statistical mechanics is applied post hoc to derive the ensemble properties as a function of…