Publications

We present a multiscale theoretical framework to investigate the interplay between diffusion and finite lattice deformation in phase transformation materials. In this framework, we use the Cauchy-Born Rule and the Principle of Virtual Power to derive a thermodynamically consistent theory with an application to intercalation-type battery electrodes.

We investigate the fundamental mechanisms underlying high-strain-rate plastic deformation and friction in crystalline materials using a novel implementation of Objective Molecular Dynamics.

We develop a theoretical framework to predict structural transformations in intercalation compounds and establish crystallographic design rules necessary for forming shape-memory-like microstructures in intercalation materials.

This perspective highlights the coupling between electrochemistry, mechanics, and geometry spanning key electrochemical processes in intercalating positive electrodes.

We dope a phase-transforming V2O5 electrode to reduce structural distortions during charge/discharge processes.

We review how the structural transformation of lattices, phase transformation microstructures, and crystallographic defects affect the chemo-mechanical properties of intercalation materials.

We propose a mathematical relationship between magnetic material constants for which highly reversible microstructures form during phase transformations.

We quantitatively demonstrate that the delicate balance between magnetocrystalline anisotropy, magnetostriction constants, and the spike-domain microstructure (localized disturbance) is necessary to lower magnetic coercivity.

We demonstrate how film straining of intercalation electrodes can circumvent its structural degradation upon repeated cycling.

We propose a solution to the longstanding “Permalloy problem”, i.e., why the particular composition of Fe21.5Ni78.5 achieves a dramatic drop in magnetic hysteresis.

We develop a novel coericity tool that for the fist time combines micromagnetics with magnetostriction and non-linear stability analysis.

We use our previously developed multiscale phase-field framework to model electrode microstructures not only as a function of Li composition, but also predict the crystallographic features of the underlying electrode during battery operation.

Using ex situ and operando scattering techniques we elucidate the phase transformation in LixTiO2 during repeated charge-discharge processes.

We use the cohesive-energy approach to analyze the delamination criterion and derive a stability condition
for fracture propagation at electrode-electrolyte interfaces in solid-state batteries.

We identify the boundary conditions necessary to stabilize 3D domain patterns with long, ribbon-like domains threaded through them and with vortex-like features.

We introduce, for the first time, a theoretical framework that combines a Cahn-Hilliard and a phase-field crystal model to describe a phase transition process.

We find that simple domain patterns with stripe-like features are stable across a wide range of externally imposed strains, and explore its application in a thin film energy harvester.

We investigate the stability and evolution of periodic domain patterns in the form of multirank laminates in ferroelectrics. In contrast to previous findings using a linear, constrained theory, we find that these laminates are unstable at the nanoscale because of significant domain-wall energy.

We provide a fundamental insight into the absence of experimental observation of classic polarization vortices of the form described by Kittel. Using phase-field calculations, we show that scale and surface conditions greatly affects the stability of polarization vortices making them energetically unfavorable at the fine scale.