Kevin Hadley
Resident at: NASA Langley Research Center
Mail Stop 226, Hampton, VA 23666
Tel: (757)864-2578 Fax: (757)864-8312
Email: Kevin.hadley@nianet.org
Research Interests
• Self-assembly
• Molecular modeling
• Multi-scale modeling
• Coarse-grained methods
• Self-healing polymers
• Pedagogy
Current Research
• Molecular level study of self-healing mechanisms in ionomers
Certain polymer systems have the capability of self-healing upon ballistic deformation. A polyethylene-based ionomer known as Surlyn® contains a mix of protonated and neutralized acid groups and has been shown to spontaneously seal holes after puncture from different caliber bullets. It is the believed a combination of the elasticity of the polyethylene and clustering of the acid groups allows for the polymer to re-establish its shape after deformation. However, this hypothesis is difficult to establish using traditional experimental means, so we are applying computer simulations to help characterize the self-healing process. In addition, we aim to identify the generic molecular level traits associated with self-healing and sound structural properties like high tensile strength. In this manner, the simulations can help direct the experimental synthesis of optimal self-healing polymers based on the desired characteristics like self-healing at an extreme temperature range.
Publications
• Hadley, KR and C McCabe, “Coarse-Grained Model of Amorphous and Crystalline Free Fatty Acids.” Accepted by J. Chem. Phys. (2010).
• Hadley, KR and C McCabe, “On the Investigation of Coarse-Grained Models for Water: Balancing Computational Efficiency and the Retention of Structural Properties.” Accepted by J. Phys. Chem. B (2010)
.• Hadley, KR and KA Debelak, “Wiki Technology as a Design Tool for a Capstone Design Course.” Chem. Eng. Educ., v.43: 194-200 (2009).
• Hadley, KR and C McCabe, “A Structurally Relevant Model of Coarse-Grained Cholesterol.” Submitted to Biophys. J. (2010).
• Hadley, KR and C McCabe, “Self-Assembly of Coarse-Grained Skin Lipids into an Experimentally Observed Bilayer.” To be submitted.