(topic area addressed: Physical Properties of Materials) Hard-Soft Material Interfaces with Superior Thermal Transport Properties
Abstract
The objective of this proposal is to elucidate the roles of vibration coupling and interfacial bonding in thermal transport across hard-soft material interfaces using atomistic simulations and experimental verifications The PI proposes to use molecular dynamics (MD) simulations to study hard-soft material interfaces with different surface functionalization by self-assembled monolayers (SAM). He will use nonequilibrium MD to calculate the thermal conductance of Au-SAM-polyethylene (PE) and Au-PE interfaces and compare the conductance values to determine the role of interfacial vibration matching in thermal transport. He will also study Au-SAM-PE interfaces with SAM molecules terminated with different polar tail groups such as carboxyl (-COOR), hydroxyl (-OH) and amine (-NH2) to cover a range of polarity and thus variable interfacial bonding strengths. The PI proposed to investigate hydrogen bond facilitated thermal transport and hydrogen-covalent bond conversion enabled enhancement as well. Experimental verifications will be done using the TDTR method.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Jan 12, 2017
- Source ID
- W911NF1610267
Entities
People
- Tengfei Luo
Organizations
- Army Contracting Command
- United States Army
- University of Notre Dame