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Numerical analysis of parallel replica dynamics

Gideon SimpsonMitchell Luskin — 2013

ESAIM: Mathematical Modelling and Numerical Analysis - Modélisation Mathématique et Analyse Numérique

Parallel replica dynamics is a method for accelerating the computation of processes characterized by a sequence of infrequent events. In this work, the processes are governed by the overdamped Langevin equation. Such processes spend much of their time about the minima of the underlying potential, occasionally transitioning into different basins of attraction. The essential idea of parallel replica dynamics is that the exit distribution from a given well for a single process can be approximated by...

Stability of microstructure for tetragonal to monoclinic martensitic transformations

Pavel BelikMitchell Luskin — 2010

ESAIM: Mathematical Modelling and Numerical Analysis

We give an analysis of the stability and uniqueness of the simply laminated microstructure for all three tetragonal to monoclinic martensitic transformations. The energy density for tetragonal to monoclinic transformations has four rotationally invariant wells since the transformation has four variants. One of these tetragonal to monoclinic martensitic transformations corresponds to the shearing of the rectangular side, one corresponds to the shearing of the square base, and one corresponds to...

An analysis of the effect of ghost force oscillation on quasicontinuum error

Matthew DobsonMitchell Luskin — 2009

ESAIM: Mathematical Modelling and Numerical Analysis

The atomistic to continuum interface for quasicontinuum energies exhibits nonzero forces under uniform strain that have been called ghost forces. In this paper, we prove for a linearization of a one-dimensional quasicontinuum energy around a uniform strain that the effect of the ghost forces on the displacement nearly cancels and has a small effect on the error away from the interface. We give optimal order error estimates that show that the quasicontinuum displacement converges to the atomistic...

Analysis of a force-based quasicontinuum approximation

Matthew DobsonMitchell Luskin — 2008

ESAIM: Mathematical Modelling and Numerical Analysis

We analyze a force-based quasicontinuum approximation to a one-dimensional system of atoms that interact by a classical atomistic potential. This force-based quasicontinuum approximation can be derived as the modification of an energy-based quasicontinuum approximation by the addition of nonconservative forces to correct nonphysical “ghost” forces that occur in the atomistic to continuum interface during constant strain. The algorithmic simplicity and consistency with the purely atomistic model at...

Approximation of a Martensitic Laminate with Varying Volume Fractions

Bo LiMitchell Luskin — 2010

ESAIM: Mathematical Modelling and Numerical Analysis

We give results for the approximation of a laminate with varying volume fractions for multi-well energy minimization problems modeling martensitic crystals that can undergo either an orthorhombic to monoclinic or a cubic to tetragonal transformation. We construct energy minimizing sequences of deformations which satisfy the corresponding boundary condition, and we establish a series of error bounds in terms of the elastic energy for the approximation of the limiting macroscopic deformation and...

On the numerical modeling of deformations of pressurized martensitic thin films

Pavel BělíkTimothy BruleMitchell Luskin — 2001

ESAIM: Mathematical Modelling and Numerical Analysis - Modélisation Mathématique et Analyse Numérique

We propose, analyze, and compare several numerical methods for the computation of the deformation of a pressurized martensitic thin film. Numerical results have been obtained for the hysteresis of the deformation as the film transforms reversibly from austenite to martensite.

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