Thermodynamics and Kinetics of Phase Changes in Layered Materials
Abstract
The objective of this proposal is to investigate basic mechanisms of phase transformations (thermodynamics and kinetics of polymorphism) in 20 materials near ambient conditions. The Pl proposes to develop atomistic simulations techniques for 20 phase change materials to elucidate the kinetics, effects of substrates, local environment etc. on phase tra nsformations. He also proposes to develop predictive models to understand van der Waals interactions in different layered materials. The theory driven effort will be complemented by experiments using Raman spectroscopy, Atomic Force Microscopy, electrical and thermal characterization to verify the predictions and provide input parameters for simulations. More specifically the Pl will employ density functional theory, tight binding, and analytical interatomic potentials for atomic simulations to elucidate the phase boundaries and nature of nucleation and growth processes of different phases in 20 materials such as MoTe2.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Jan 12, 2017
- Source ID
- W911NF1510570
Entities
People
- Evan J Reed
Organizations
- Army Contracting Command
- Stanford University
- United States Army