2021 Film strains enhance reversible 1 1

Film strains enhance the reversible cycling of intercalation electrodes

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

2021 A solution to the permalloy problem

A solution to the permalloy problem—A micromagnetic analysis with magnetostriction

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.

2021 A tool to predict coercivity in magnetic materials

A tool to predict coercivity in magnetic materials

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

2019 Phase field model for diffusion induced

Phase-field model for diffusion-induced grain boundary migration: An application to battery electrodes

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.

2019 Order disorder transition in nano rutile

Order-disorder transition in nano-rutile TiO2 anodes: A high capacity low-volume change Li-ion battery material

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

2018 Mechanical instability of electrode electrolyte

Mechanical instability of electrode-electrolyte interfaces in solid-state batteries

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.

2018 Periodic boundary conditions for the simulation

Periodic boundary conditions for the simulation of 3D domain patterns in tetragonal ferroelectric material

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

2018 CHPFC

Combining phase-field crystal methods with a Cahn-Hilliard model for binary alloys

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.

2016 Energy Harvester

Nanoscale domain patterns and a concept for an energy harvester

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.

2016 Nanoscale periodic domain patterns

Nanoscale periodic domain patterns in tetragonal ferroelectrics: A phase-field study

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.