Mechanism of breathing transitions in metal–organic frameworks

C Triguero, FX Coudert, A Boutin… - The Journal of …, 2011 - ACS Publications
We present a multiscale physical mechanism and a stochastic model of breathing
transitions, which represent adsorption-induced structural transformations between large …

Molecular dynamics simulation study of microstructure evolution during cyclic martensitic transformations

O Kastner, G Eggeler, W Weiss, GJ Ackland - Journal of the Mechanics and …, 2011 - Elsevier
Shape memory alloys (SMA) exhibit a number of features which are not easily explained by
equilibrium thermodynamics, including hysteresis in the phase transformation and “reverse” …

Monte Carlo simulations of strain pseudospins: Athermal martensites, incubation times, and entropy barriers

N Shankaraiah, KPN Murthy, T Lookman, SR Shenoy - Physical Review B, 2011 - APS
We study martensitic transition kinetics through temperature-quench Monte Carlo
simulations for a square/rectangle ferroelastic transition, described by a Hamiltonian of three …

Broken symmetry, ferroic phase transitions and multifunctional materials

A Saxena - Integrated Ferroelectrics, 2011 - Taylor & Francis
A phase transition is associated with a change of certain symmetry. This symmetry change is
captured by an order parameter which is zero above the transition temperature (or pressure) …

Phase field model for coupled displacive and diffusive microstructural processes under thermal loading

M Maraldi, GN Wells, L Molari - Journal of the Mechanics and Physics of …, 2011 - Elsevier
A non-isothermal phase field model that captures both displacive and diffusive phase
transformations in a unified framework is presented. The model is developed in a formal …

Elastically driven polaron patterns: Stripes and glass phases

P Maniadis, T Lookman, AR Bishop - Physical Review B, 2011 - APS
We investigate a model of elasticity-driven polaron pattern formation on a two-dimensional
lattice at finite temperatures. We show that, at high densities, polaron stripes (glass-like) form …

Understanding glassy phenomena in materials

D Sherrington - Disorder and Strain-Induced Complexity in Functional …, 2011 - Springer
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