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Ketan S. Khare
Research Associate (NIST) and PREP-MML Postdoctoral Fellow (Georgetown University)
Current Research Interests
- Quantitative Integration of Atomistic Simulation and Experiment for Cross-linked Epoxy
- Thermodynamics of Single-Walled Carbon Nanotube/Surfactant Complexes in Water
- Dispersion and Interphase Properties of Fillers in Polymer Nanocomposites (CHiMaD consortium)
- Contribution to the COMSOFT Workbench (Materials Genome Initiative)
NIST Publications
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Khare, K. S.; Phelan, F. R., Jr.; “Integration of Atomistic Simulation with Experiment Using Time−Temperature Superposition for a Cross-Linked Epoxy Network”, Macromol. Theory Simul., in press (2019). Preprint available at ChemRxiv. DOI: 10.26434/chemrxiv.8326172.
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Khare, K. S.; Phelan, F. R., Jr.; “Quantitative Comparison of Atomistic Simulations with Experiment for a Cross-Linked Epoxy: A Specific Volume – Cooling-Rate Analysis”, Macromolecules, 51, 564 (2018).
Non-NIST Publications
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Sirk, T. W.; Karim, M.; Khare, K. S.; Lenhart, J.; Andzelm, J. W.; Khare, R.; "Bi-modal Polymer Networks: Thermal and Volumetric Properties from Molecular Dynamics Simulations", Polymer, 58, 199 (2015).
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Khare, K. S.; Khabaz, F.; Khare, R.; "Effect of Carbon Nanotube Functionalization on the Glass Transition in Cross-Linked Epoxy–Carbon Nanotube Nanocomposites: Role of Strengthening the Interfacial Interactions", ACS Appl. Mater. Interfaces, 6, 6098 (2014).
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Sirk, T. W.;* Khare, K. S.;* Karim, M.; Lenhart, J. L.; Andzelm, J. W.; McKenna, G. B.; Khare R.; "High Strain Rate Mechanical Properties of a Cross-linked Epoxy across the Glass Transition", Polymer, 54, 7048 (2013). *These authors contributed equally to the work.
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Khare, K. S.; Khare, R.; "Effect of Carbon Nanotube Dispersion on Glass Transition in Crosslinked Epoxy–Carbon Nanotube Nanocomposites: Role of Interfacial Interactions", J. Phys. Chem. B, 117, 7444 (2013).
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Khare, K. S.; Khare, R.; "Directed Diffusion Approach for Preparing Atomistic Models of Crosslinked Epoxy for use in Molecular Simulations", Macromol. Theory Simul., 21, 322 (2012).