Materials by design: low-density molecular crystals with exceptionally high thermal conductivity
Abstract
Objective 1 ~ Molecular-Scale Design PrinciplesTask 1.1 ~ Analyze set of molecular crystals using the existing ab-initio methodTask 1.2 ~ Identify design principles and descriptors based on ab-initio analysisTask 1.3 ~ Ab-initio method development to incorporate long-range interactionsMilestone 1: Design principles identified that serve as indicators of the underlying physical processes that affect thermal conductivity.Objective 2 ~ Computational materials discoveryTask 2.1 ~ Search for novel materials using the principles and descriptors from Objective 1Task 2.2 ~ Full ab-initio calculations on a subset of materials that have a potential for high thermal conductivityTask 2.3 ~ Assess accuracy of new ab-initio methodsMilestone 2 ~ Identification of new molecular crystals with potential for high thermal conductivityObjective 3 ~ Experimental Synthesis and ValidationTask 3.1 ~ Synthesize or obtain samples of newly-identified materials from Objective 2Task 3.2 ~ Structural characterization of new materialsTask 3.3 ~ Thermal characterization of new materialsMilestone 3 ~ Synthesis of molecular crystal with thermal conductivity around 100 W/m/K
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Jan 23, 2018
- Source ID
- N000141812101
Entities
People
- Austin Minnich
Organizations
- California Institute of Technology
- Office of Naval Research
- United States Navy