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Application-driven Co-Design: Using Proxy Apps in the ASCR Materials Co-Design Center
31 May 2012 | Online Presentations | Contributor(s): Jim Belak
Computational materials science is performed with a suite of applications that span the quantum mechanics of interatomic bonding to the continuum mechanics of engineering problems and phenomenon...
Micromechanics of Polycrystals: Full-field Computations and Second-order Homogenization Approaches
30 May 2012 | Online Presentations | Contributor(s): Ricardo Lebensohn
In the first part of this talk we will present a spectral formulation based on crystal plasticity and Fast Fourier Transforms (FFT) for the determination of micromechanical fields in...
Particle Simulations of Ion Generation and Transport in Microelectromechanical Systems and Micropropulsion
29 May 2012 | Online Presentations | Contributor(s): Venkattraman Ayyaswamy
The first part of the talk deals with use of the PIC method with Monte Carlo collisions (MCC) between electrons and the ambient neutral gas to develop models to predict charge accumulation,...
[Illinois] Cancer Community Symposium 2012: Materials Science vs. Metastasis
09 May 2012 | Online Presentations | Contributor(s): Daniel A. Heller
Metastasis, the spread of cancer cells from a primary tumor to seed secondary tumors in distant sites, is one of the greatest challenges in cancer treatment today. For many patients, by the time...
Magnesium Phyllo (Organo) Silicate: A Clay to Play with in Materials Science
24 Apr 2012 | Online Presentations | Contributor(s): M. Eswaramoorthy
The synthesis and applications of amino functionalized clay will be discussed in this talk. The tailor made clay containing
amino pendants is easily dispersible in water. This property has been...
Malvern Instruments Workshop: Nano-particle Characterization Symposium
11 Apr 2012 | Workshops | Contributor(s): James Leary
The key focus of the symposium is to demonstrate how different analytical techniques provide the information needed to advance nanotechnology.
Jason Arthur Merz
Carbon NanoTubes: Structure - Properties - Applications
19 Mar 2012 | Teaching Materials | Contributor(s): Yuri A Kruglyak
Presentation slides for seminar given for students of Faculty of Computer Sciences of Odessa State Environmental University, Ukraine by Prof. Yuri Kruglyak on May 22, 2008.
Computational Investigation of Point Defect Formation and Migration in Nuclear Fuels
08 Mar 2012 | Online Presentations | Contributor(s): Susan Sinnott
The stabilities of selected fission products are investigated as a function of stoichiometry in uranium oxide. The approach is density functional theory (DFT) that is used to calculate the...
Density Functional Theory: A great physics success story
01 Mar 2012 | Online Presentations | Contributor(s): Kieron Burke
Density functional theory began with the work of Thomas and Fermi, at about the same time as Schroedinger wrote his famous equation. I will explain in general terms what density functional...
Theoretical studies of rolled-up and wrinkled nanomembranes
20 Feb 2012 | Papers | Contributor(s): Peter Cendula
PhD thesis along with additional movie files.
Changes of Structural and Hydrogen Desorption Properties of MgH2 Indused by Ion Irradiation
17 Jan 2012 | Presentation Materials | Contributor(s): Sandra Kurko
Changes in structural and hydrogen desorption properties of MgH2 iduced by ion irradiation have been investigated. MgH2 powder samples have been irradiated with 45 keV B3+ and 120 keV Ar8+ions,...
BME 695L Special Lecture 4: Atomic Force Microscopy (AFM) for Nanomedical Systems (cells and nanoparticles)
02 Dec 2011 | Online Presentations | Contributor(s): Helen McNally
Guest lecturer: Helen McNally
Atomistic Material Science
03 Nov 2011 | Courses | Contributor(s): Alejandro Strachan
This course introduces first principles electronic structure calculations of materials properties and the concept of molecular dynamics (MD) simulations of materials focusing on the physics and...
Tutorial 1: Atomistic Material Science - ab initio simulations of materials
03 Nov 2011 | Online Presentations | Contributor(s): Alejandro Strachan
This lecture introduces first principles electronic structure calculations of materials properties.
It describes the approximations made to the many-body Schrodinger equation in Hartree Fock and...
Tutorial 2: Atomistic Material Science - Molecular Dynamics simulations of materials
This lecture introduces the concept of molecular dynamics
(MD) simulations of materials focusing on the physics and approximations underlying the simulations and interpretation of their results.
BME 695L Special Lecture 2: X-ray Photoelectron Spectroscopy (XPS) in Biologically-Relevant Applications
01 Nov 2011 | Online Presentations | Contributor(s): Dmitry Zemlyanov
Guest lecturer: Dmitry Zemlyanov
Boron Nitride Nanotube Structure
07 Oct 2011 | Papers | Contributor(s): Brian Demczyk, J. Cumings, A. Zettl
We have used high-resolution transmission electron microscopy to resolve the basal plane structure and chirality relationships in boron nitride nanotubes.
Comparison of strain relaxation in epitaxial Si0.3Ge0.7 films grown on Si(001) and Ge(001)
07 Oct 2011 | Papers | Contributor(s): Brian Demczyk, R. Naik, G. Auner, C. Kota, U. Rao
Surface and interfacial strain have been computed for SiGe thin films grown by UHVCVD,based on measurements via transmission electron microscopy and Raman spectroscopy.