Publications

Sep, 2015

Journal

Multiscale modeling and characterization for performance and safety of lithium-ion batteries

Lithium-ion batteries are highly complex electrochemical systems whose performance and safety are governed by coupled nonlinear electrochemical-electrical-thermal-mechanical processes over a range of spatiotemporal scales. In this paper we describe a new, open source computational framework for Lithium-ion battery simulations that is designed to support a variety of model…

Aug, 2015

Conference Paper

Safer Batteries through Coupled Multiscale Modeling (ICCS 2015)

Batteries are highly complex electrochemical systems, with performance and safety governed by coupled nonlinear electrochemical-electrical-thermal-mechanical processes over a range of spatiotemporal scales. We describe a new, open source computational environment for battery simulation known as VIBE - the Virtual Integrated Battery Environment. VIBE includes homogenized an…

Aug, 2015

Journal

An approach for coupled-code multiphysics core simulation from a common input

Nov, 2014

ORNL Report

Benchmark Problem for Calculating Oxygen Potential in High Burnup LWR Fuel using the THERMOCHIMICA Module in Moose/Bison

Sep, 2014

ORNL Report

Oxygen Diffusion Model using the THERMOCHIMICA Module in Moose/Bison

Jun, 2014

Conference Paper

Simulation of Thermochemistry and Isotopic Evolution of Irradiated Nuclear Fuel

Oct, 2013

Conference Paper

Damage and Crack Analysis in a Li-ion Battery Electrode using Random Spring Model

Sep, 2013

Journal

A new open computational framework for highly-resolved coupled three-dimensional multiphysics simulations of Li-ion cells

Jul, 2013

Conference Paper

MUTLI-OBJECTIVE OPTIMIZATION OF MICROSTRUCTURE IN WROUGHT MAGNESIUM ALLOYS

The microstructural features that govern the mechanical properties of wrought magnesium alloys include grain size, crystallographic texture, and twinning. Several processes based on shear deformation have been developed that promote grain refinement, weakening of the basal texture, as well as the shift of the peak intensity away from the center of the basal pole figure - f…

Jul, 2013

Conference Paper

Multi-Objective Optimization of a Wrought Magnesium Alloy for High Strength and Ductility

An optimization technique is coupled with crystal plasticity based finite element (CPFE) computations to aid the microstructural design of a wrought magnesium alloy for improved strength and ductility. The initial microstructure consists of a collection of sub-micron sized grains containing deformation twins. The variables used in the simulations are crystallographic textu…

Jul, 2013

Journal

Coupled thermochemical, isotopic evolution and heat transfer simulations in highly irradiated UO2 nuclear fuel

Jan, 2013

Journal

Numerical Verification of Equilibrium Thermodynamic Computations in Nuclear Fuel Performance Codes

There is an increasing desire to integrate thermodynamic computations directly into multi-physics nuclear fuel performance and safety codes. These computations provide, among other matters, boundary conditions in heat and mass transport modules in predicting fuel behaviour. Precision must be maintained in computations involving fission and activation products with very low…