Integrated Computational Materials Engineering of Functional Materials Using Phase Field Methods
Abstract
ABSTRACT: The development of new functional energy materials, such as batteries, is a central concern of theNavy. Batteries that are safe for operation, field deployment, and transport over long distances andunder extreme conditions are needed. Central to designing these new materials is the ability to linkthe processing of a material to its structure in materials that typically that may contain manyelements and phases. For example, it is challenging to predict the morphologies of Li-dendritesthat form in batteries that employ Li-metal electrodes, and the phase transformations that occur inNi(OH)2 cathodes where the -Ni(OH)2 phase may convert to a lower-capacity -Ni(OH)2 phaseupon cycling in alkaline electrolytes. Phase field methods provide a flexible framework that canpotentially address all of these critical processes, since the method can be used to predict complexphase transformations and the accompanying phase morphologies. Moreover, new physics, e.g.stress, can easily be added, and topological transformations, such as domain merging and splitting,occur naturally. Most importantly, given the flexibility of the phase field models, it will bepossible to address problems suggested by researchers at the Naval Research Laboratory. Toenable an integrated computational effort, the results of the simulations will be uploaded to theNavy Hyperthought system.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Apr 29, 2020
- Source ID
- N000142012327
Entities
People
- Peter Voorhees
Organizations
- Northwestern University
- Office of Naval Research
- United States Navy