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Characterization of Amorphous Systems via Inelastic Light Scattering
Sponsor:
National Aeronautic Space Agency (NASA)
Specific glass classes, like the chalcogenides, are interesting because of their practical application to applications that can take advantage of nonlinear optics, such as optical waveguides. To better understand and manipulate these properties it is necessary to investigate their origins, which is related to the |
Multiscale Simulations of Crosslinked PolymersWe are exploring a computational methodology to understand self healing properties of a new class of smart materials developed by Scott White and coworkers at UIUC. This system uses DCPD (Dicyclopentadiene) monomer in conjunction with a Ruthenium based Grubbs catalyst to provide self healing capabilities |
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Multi-Scale Molecular Dynamics Simulation of Self Assembling NanoparticlesWe are investigating the “bottom-up” design of novel molecular nano-electronic structures via a multi-scale computer simulation method that includes ab initio quantum mechanical calculations, molecular dynamics simulations with classical and reactive force fields, monte carlo simulations and mesoscale simulations. Our approach to the design of |
Inelastic Light Scattering of Layer-by-Layer Thin Film Nanocomposites
Sponsor:
AFOSR
Carbon nanotubes are hexagonal graphite structures in a cylindrical shape; its structure is typically described as a “rolled-up” graphene sheet. The simplest form of carbon nanotube is one layer of “rolled-up” graphene sheet called single walled carbon nanotube (SWNT) while a more complicated form involves |
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A Computational Study of the Molecular Structure and Dynamics of Porous Silica AerogelsSilica aerogels are a versatile class of materials with a host of applications ranging from thermal insulation in household refrigerators and solid-state Cherenkov detectors to passive solar energy collection devices and interstellar dust collectors on NASA's Stardust spacecraft . The unique properties of aerogels - an extremely |
Simulations of Structural Transitions in Inorganic Compounds
Sponsor:
National Science Foundation
This project is to use computer simulations to study structural transitions under conditions that are inaccessible to experiments, such as materials subject to very high pressure and/or high temperature, and to address some long-standing problems in materials science. |
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Structural Developments in Ion-Implanted Sol-Gel Films and Resulting Glasses
Sponsor:
National Science Foundation
Rare-earth (RE) ions such as Nd3+, Er3+, and Yb3+ function as the basis of optical wave-guide amplifiers by emitting photons when electronic transitions are stimulated by incoming light. The conversion efficiency between stimulating light and emitted light, however, can be hampered by many factors, such |
Enhancing Materials Science and Engineering Curricula through Computation
Sponsor:
National Science Foundation
The objective of this project is to devise a more effective instructional process by incorporating computation and cyber infrastructure (CI) into materials science core courses. We expect students to gain a better fundamental understanding of materials science concepts and principles, and to advance their algorithmic |
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