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.

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.

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.

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.

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.

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.

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.

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.

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.

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.