Publications

We developed an open-source finite-element micromagnetic simulation program with magnetostriction. The program incorporates a GPU-resident workflow with tensorized operations using CuPy’s BLAS-accelerated backend.

We develop a continuum framework coupling lithium diffusion and reaction kinetics with the finite deformation of alloying electrodes using Sb→Li2Sb→Li3Sb as a model system.

We present a continuum model for symmetry-breaking phase transformations in intercalation compounds, based on Ericksen’s multi-well energy formulation.

We develop a micromechanical framework based on Cauchy-Born rule and photoreaction theory to predict macroscopic photomechanical response in molecular crystals.

We identify a mathematical relation among material parameters to minimize hysteresis with large magnetocrystalline anisotropy constants.

We discuss the current state-of-the-art materials used in Na-ion cells and several directions that the Center for Strain Optimization for Renewable Energy (STORE) believes are critical to understand and control the structural and volumetric changes during the reversible (de)insertion of large cations.

Ananya reviews the recent developments on using nonlinear analysis and nucleation barrier methods to predict coercivity in soft magnets.

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.