Atomistic Modeling of Magnetoelastics & Workshop Development
Abstract
This proposal comprises two primary components: 1) a fundamental computational program focusing on atomic simulations of magnetoelastic small-scale structures, and 2) a workshop designed to connect researchers in the multiferroic community to chart a roadmap for the field.The objective of the first component is to expand the UCLA-based modeling effort to atomic dimensions, enabling the exploration of novel miniature devices crucial to future Naval Expeditionary Energy. Developing these models is essential for predicting the performance of small 3D magnetoelectric structures, offering a more efficient alternative to the time-consuming and costly experimental exploration process. While piezoelectric materials have well-established models at these scales, often supported by the Navy,magnetoelastic models in this regime are notably lacking, especially at the proposed length scales. Our focus is on modeling 3D device sizes ranging from 0.2 to 20 nm#below continuum considerations yet too geometrically complex for ab initio methods. The methodology relies on molecular dynamic simulations coupled with a hybrid Density Functional and Continuum property evaluation into publiclyavailable framework of Large-Scale Atomic/Molecular Massively Parallel LAMMPS. This proposed advancement will establish a computational framework for investigating Navy-relevant devices, such as tunable filters, localized communication devices, or wireless energytransfer.The second component, consisting of a one-day workshop, aims to provide an interdisciplinary platform for scientists and engineers across academia, business/industry, national laboratories, and government funding agencies. The primary goal is to stimulate discussions and assessments concerning current and future research directions in multiferroic components, particularly those relevant to Naval Expeditionary forces. By presenting the state-of-the-art in multiferroic devices and identifying the fundamental challenges they face in transitioning to military applications, the workshop seeks to define key research obstacles for the community. Theprimary outcome expected from this workshop is to identify key research investment areas to focus the scientific community on pursuing.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Apr 11, 2024
- Source ID
- N000142412247
Entities
People
- Gregory P. Carman
Organizations
- Office of Naval Research
- United States Navy
- University of California, Los Angeles