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Keywords: molecular dynamics simulations
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Proceedings Papers

Proc. ASME. IMECE2020, Volume 3: Advanced Materials: Design, Processing, Characterization, and Applications, V003T03A031, November 16–19, 2020
Paper No: IMECE2020-23695
... on the adhesive and self-cleaning properties of carbon-based bio-inspired fibrillar dry adhesives considering defects and saline water. Keywords: Bioinspiration; Carbon Nanotubes; Fibrils; Wettability; Hydrogen Bond; Molecular Dynamics Simulations 1. INTRODUCTION Countless organisms in nature have adapted high...
Proceedings Papers

Proc. ASME. IMECE2003, Heat Transfer, Volume 4, 277-287, November 15–21, 2003
Paper No: IMECE2003-41899
... from lattice dynamics calculations based on the results of molecular dynamics simulations. No fitting parameters are required. The thermal conductivity results are in agreement with predictions from the simulations using the Green-Kubo method. Assuming that the dispersion is linear or temperature...