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We introduce a computational method to discover polymorphs in molecular crystals at finite temperature. The method is based on reproducing the crystallization process starting from the liquid and letting the system discover the relevant…
In this work, we consider self-similar profiles for Smoluchowski's coagulation equation for kernels which are possibly unbounded perturbations of the constant one. For this model, we show that the self-similar solutions for the perturbed…
Localization marks the breakdown of thermalization in subregions of quantum many-body systems in the presence of sufficiently large disorder. In this paper, we use numerical techniques to study thermalization and localization in a many-body…
We present a new stabilization technique for multiscale convection diffusion problems. Stabilization for these problems has been a challenging task, especially for the case with high Peclet numbers. Our method is based on a constraint…
The physical properties of blends of distinct homopolymers, cross-linked beyond the gelation point, are addressed via a Landau approach involving a pair of coupled order-parameter fields: one describing vulcanisation, the other describing…
We derive a unified stochastic picture for the duality of a resampling-selection model with a branching-coalescing particle process (cf. http://www.ams.org/mathscinet-getitem?mr=MR2123250) and for the self-duality of Feller's branching…
In this paper we prove the global in time solvability of the continuous growth--fragmentation--coagulation equation with unbounded coagulation kernels, in spaces of functions having finite moments of sufficiently high order. The main tool…
The velocity distribution of inelastic granular gas is examined numerically on two dimensional hard disk system in nearly elastic regime using molecular dynamical simulations. The system is prepared initially in the equilibrium state with…
We modify the definition of Aldous' multiplicative coalescent process and introduce the multiplicative coalescent with linear deletion (MCLD). A state of this process is a square-summable decreasing sequence of cluster sizes. Pairs of…
Uniqueness of mass-conserving self-similar solutions to Smoluchowski's coagulation equation is shown when the coagulation kernel $K$ is given by $K(x,x\_*)=2(x x\_*)^{-\alpha}$, $(x,x\_*)\in (0,\infty)^2$, for some $\alpha>0$.
We define a correlation function that quantifies the spatial correlation of single-particle displacements in liquids and amorphous materials. We show for an equilibrium liquid that this function is related to fluctuations in a bulk…
We consider two simple models for the formation of polymers where at the initial time, each monomer has a certain number of potential links (called arms in the text) that are consumed when aggregations occur. Loosely speaking, this imposes…
We study a Smoluchowski equation describing a simple mean-field model of particles moving in $d$ dimensions and aggregating with conservation of `mass' $s=R^D$ ($R$ is the particle radius). In the scaling regime the scaled mass distribution…
A study of the diffusion of a passive Brownian particle on the surface of a sphere and subject to the effects of an external potential, coupled linearly to the probability density of the particle's position, is presented through a numerical…
This article studies the fluctuation behaviour of the stochastic point vortex model with common noise. Using the martingale method combined with a localization argument, we prove that the sequence of fluctuation processes converges in…
We consider the simulation of electromagnetic scattering by single and multiple isotropic homogeneous dielectric particles using boundary integral equations. Galerkin discretizations of the classical Poggio-Miller-Chang-Harrington-Wu-Tsai…
In this paper we consider the long time asymptotics of a linear version of the Smoluchowski equation which describes the evolution of a tagged particle moving at constant speed in a random distribution of fixed particles. The volumes $v$ of…
Due to nonuniform aggregation in liquid state, from the thermodynamic point of view any glass-forming liquid in the vicinity of the liquid-to-solid phase transition temperature, irrespective of its actual chemical composition, shall be…
We consider the approach to self-similarity (or dynamical scaling) in Smoluchowski's coagulation equations for the solvable kernels K(x,y)=2, x+y and xy. We prove the uniform convergence of densities to the self-similar solution with…
Turbulence in growth of rain droplets and rain formation is studied under an approximating particle system representing aggregation at the level of individuals, depending on their volume and distance in space, of the Smoluchowski…