Related papers: Convergence of a force-based hybrid method for ato…
In this paper, the compressible quantum model with the given mass source and the external force of general form in three-dimensional whole space is considered. Based on the weighted $L^2$ method and $L^\infty$ estimates, the existence and…
In this work, we investigate a system of interacting particles governed by a set of stochastic differential equations. Our main goal is to rigorously demonstrate that the empirical measure associated with the particle system converges…
In this paper I propose a new model for representing the formation energies of multicomponent crystalline alloys as a function of atom types. In the cases when displacements of atoms from their equilibrium positions are not large, the…
In this article we describe a stable partitioned algorithm that overcomes the added mass instability arising in fluid-structure interactions of light rigid bodies and inviscid compressible flow. The new algorithm is stable even for bodies…
The system is described by three mass-shell constraints. After a nonlinear transformation of the momenta, the analytic form taken by admissible interactions (allowing compatibility) is characterized in terms of the new variables. These…
We propose and analyze an adaptive finite element method for a phase-field model of dynamic brittle fracture. The model couples a second-order hyperbolic equation for elastodynamics with the Ambrosio-Tortorelli regularization of the…
This paper introduces a novel ansatz-based technique for solution of the Hubbard model over two length scales. Short range correlations are treated exactly using a dynamical cluster approximation QMC simulation, while longer-length-scale…
In the stationary case, atomistic interaction energies can be proved to $\Gamma$-converge to classical elasticity models in the simultaneous atomistic-to-continuum and linearization limit [19],[40]. The aim of this note is that of extending…
We propose a stroboscopic method to dynamically decouple the effects of two-body atom-atom interactions for ultracold atoms, and realize a system dominated by elastic three-body interactions. Using this method, we show that it is possible…
In this paper we propose a new method to stabilise non-symmetric indefinite problems. The idea is to solve a forward and an adjoint problem simultaneously using a suitable stabilised finite element method. Both stabilisation of the element…
A thermodynamically consistent particle-based model for fluid dynamics with continuous velocities and a non-ideal equation of state is presented. Excluded volume interactions are modeled by means of biased stochastic multiparticle…
Density Functional Theory (DFT) is widely used for atomistic simulations. However, its reach stays limited due to several limitations such as lack of accurate exchange-correlation functional, requirement of costly O(N 3) diagonalization…
We consider the four-dimensional Euclidean dynamical triangulations lattice model of quantum gravity based on triangulations of $S^{4}$. We couple it minimally to a scalar field in the quenched approximation. Our results suggest a…
This work aims to provide standard formulations for direct minimization approaches on various types of static problems of continuum mechanics. Particularly, form-finding problems of tension structures are discussed in the first half and the…
We establish the equivalence of a recently introduced discrete model of the hydrophobic interaction, as well as its extension to continuous state variables, with the Ising model in a magnetic field with temperature-dependent strength. In…
The possibility to construct and parametrize the nonbonded interactions in atomistic force fields based on the valence electron structure of molecules is explored in this paper. Three different charge distribution models using simple…
The foundation of continuum elasticity theory is based on two general principles: (i) the force felt by a small volume element from its surrounding acts only through its surface (the Cauchy principle, justified by the fact that interactions…
The aim of hybrid methods in simulations is to communicate regions with disparate time and length scales. Here, a fluid described at the atomistic level within an inner region P is coupled to an outer region C described by continuum fluid…
A previously-developed hybrid particle-continuum method [J. B. Bell, A. Garcia and S. A. Williams, SIAM Multiscale Modeling and Simulation, 6:1256-1280, 2008] is generalized to dense fluids and two and three dimensional flows. The scheme…
The immersed boundary method is a mathematical framework for modeling fluid-structure interaction. This formulation describes the momentum, viscosity, and incompressibility of the fluid-structure system in Eulerian form, and it uses…