Related papers: Effective Potential in Glass Forming Liquids
We discuss a novel approach that allows to obtain effective potentials from ab initio trajectories. Our method consists in fitting the weighted radial distribution functions obtained from the ab initio data with the ones obtained from…
We consider two models of deterministic active particles in an external potential. In the limit where the speed of a particle is fixed, both models coincide and can be formulated as a Hamiltonian system, but only if the potential is…
A free-energy functional for a crystal that contains both the symmetry conserved and symmetry broken parts of the direct pair correlation function is developed. The free-energy functional is used to investigate the crystallization of fluids…
We propose a new scheme to parameterize effective potentials that can be used to simulate atomic systems such as oxide glasses. As input data for the optimization, we use the radial distribution functions of the liquid and the vibrational…
This contribution briefly reviews some recent work demonstrating the partial breakdown of the colloidal fluid <--> atomic fluid analogy. The success of liquid state theory for atomic fluids stems in part from the van der Waals picture,…
A system of identical particles interacting through an isotropic potential that allows for two preferred interparticle distances is numerically studied. When the parameters of the interaction potential are adequately chosen, the system…
As the possibility to decouple temporal and spatial variations of the electromagnetic field, leading to a wavelength stretching, has been recognized to be of paramount importance for practical applications, we generalize the idea of…
The calculation of the effective potential for fixed-end and toroidal rigid $p$-branes is performed in the one-loop as well as in the $1/d$ approximations. The analysis of the involved zeta-functions (of inhomogeneous Epstein type) which…
Using a recently developed technique to estimate the equilibrium free energy of glassy materials, we explore if equilibrium simulation methods can be used to estimate the solubility of amorphous solids. As an illustration, we compute the…
The recent description of the highly viscous flow in terms of irreversible structural Eshelby rearrangements is extended to calculate the heat capacity of a glass former at a constant cooling rate through the glass transition. The result is…
The glass-forming ability is an important material property for manufacturing glasses and understanding the long-standing glass transition problem. Because of the nonequilibrium nature, it is difficult to develop the theory for it. Here we…
The chemical potential and the work function of an aluminum film, which (1) is in vacuum and (2) is located on a dielectric substrate is calculated within the model of non-interacting electrons located in an asymmetric rectangular potential…
We use computer simulations to investigate the static properties of a simple glass-forming fluid in which the positions of a finite fraction of the particles has been frozen in. By probing the equilibrium distribution of the overlap between…
The remarkable strength of glasses is examined using the random first order transition theory of the glass transition. The theory predicts that strength depends on elastic modulus but also on the configurational energy frozen in when the…
The phase-field-crystal model for liquid crystals is solved numerically in two spatial dimensions. This model is formulated with three position-dependent order parameters, namely the reduced translational density, the local nematic order…
A recently published analytical model, describing and predicting elasticity, viscosity, and fragility of metallic melts, is applied for the analysis of about 30 nonmetallic glassy systems, ranging from oxide network glasses to alcohols,…
The critical effective potential is the nonperturbative part of the effective action at a phase transition. It equals the scale invariant effective average potential and can be calculated from the renormalization group flow of the effective…
The method for the recursive calculation of the effective potential is applied successfully in case of weak coupling limit (g tend to zero) to a multidimensional complex cubic potential. In strong-coupling limit (g tend to infinity), the…
Active particles under soft confinement such as droplets or vesicles present intriguing phenomena, as collective motion emerges alongside the deformation of the environment. A model is employed to systematically investigate droplet…
Rapidly oscillating potentials with a vanishing time average have been used for a long time to trap charged particles in source-free regions. It has been argued that the motion of a particle in such a potential can be approximately…