Additional Tutorials on Selected Topics in Nanotechnology
Workshops | 29 Mar 2011 | Contributor(s): Gerhard Klimeck, Umesh V. Waghmare, Timothy S Fisher, N. S. Vidhyadhiraja
Select tutorials in nanotechnology, a part of the 2010 NCN@Purdue Summer School: Electronics from the Bottom Up.
Tutorial 3: Materials Simulation by First-Principles Density Functional Theory
Courses | 14 Sep 2010 | Contributor(s): Umesh V. Waghmare
This two-part lecture will provide an introduction to first-principles density functional theory based methods for simulation of materials, with a focus on determination of interatomic force constants and vibrational spectra of nano- structures and extended periodic materials.
Tutorial 3a: Materials Simulation by First-Principles Density Functional Theory I
Online Presentations | 14 Sep 2010 | Contributor(s): Umesh V. Waghmare
This lecture provides an introduction to first-principles density functional theory based methods for simulation of materials, with a focus on determination of interatomic force constants and vibrational spectra of nano-structures and extended periodic materials.Outline:Phonons, soft...
Tutorial 3b: Materials Simulation by First-Principles Density Functional Theory II
Ripples and Warping of Graphene: A Theoretical Study
Online Presentations | 08 Jun 2010 | Contributor(s): Umesh V. Waghmare
We use first-principles density functional theory based analysis to understand formation of ripples in graphene and related 2-D materials. For an infinite graphene, we show that ripples are linked with a low energy branch of phonons that exhibits quadratic dispersion at long wave-lengths. Many...
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