Modeling the Coupled Properties of Artificial Interfacial Solids for High ZT Thermoelectrics
Abstract
APPROVED FOR PUBLIC RELEASE: Developing effective means for solid-state based conversion of thermal energy and especially low-quality heat energy to electricity is of interest to the Navy, as outlined in 2019 Naval Power and Energy Systems Technology DevelopmentRoadmap. The main objective of this project is to gain comprehensive understanding of and control over the thermoelectric properties of bulk solid monolithic materials fabricated from purposefully engineered core/shell nanoparticle blocks, known under the term ofArtificial Interfacial Solids (AIS). Such materials are expected to possess spatially decoupled interdependent thermal and electronic transport properties inherited from the chemical identities of the nanoparticle cores and shells thus alleviating the shortcomings of traditional thermoelectric compounds as reflected in improved efficiency for interconversion of thermal and electric energy. Modeling and simulation activities related to this project include (a) Refinement of the already established computational toolchain for creating mesoscale-level structural models of AIS that reproduce the basic features of experimentally produced materials; (b) Enhancement of the developed computational framework for evaluating the interconnected charge and heat transport properties of AIS as functions of temperature and other applied conditions; (c) Testing and validation of this framework by comparison with experimental data obtained for prototypical traditional and AIS-based thermoelectrics; and (d) Evaluation of predictive capabilities of the framework as applied to thermoelectric properties and performance optimization of AIS. The developed computational tools will be able to assess the details of thermal and electrical transport through these solids, as well as the accompanying thermal stresses, including their dependence on (i) size, shape and orientation of the AIS nanoconstituents, (ii) morphology of the interfacial regions connecting them, and(iii) other relevant materials-dependent parameters. Novel AIS-based thermoelectric materials produced by this project could be employed for thermal energy recovery on the future naval platforms, as well as improve the efficiency of solid-statethermoelectric generators (which are inherently quiet and vibration free power sources) utilized in a variety of naval applications, e.g., portable silent watch systems, autonomous sensor arrays and unmanned underwater vehicles.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Apr 06, 2021
- Source ID
- N000142112320
Entities
People
- Serge M. Nakhmanson
Organizations
- Office of Naval Research
- United States Navy
- University of Connecticut