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Running MD on the nanoHUB: The nano-MATERIALS Simulation Toolkit
13 Nov 2008 | | Contributor(s):: Alejandro Strachan
A quick demostration of the nanoHUB tool: nano-Materials Simulation Toolkit.
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MSE 597G Lecture 5: Interatomic potentials II
13 Nov 2008 | | Contributor(s):: Alejandro Strachan
Embedded atom model for metals,Three body terms for semiconductors: Stillinger-Weber,Electrostatics and Covalent interactions.
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MSE 597G: An Introduction to Molecular Dynamics
13 Nov 2008 | | Contributor(s):: Alejandro Strachan
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MSE 597G Lecture 6: Interatomic potentials III
12 Nov 2008 | | Contributor(s):: Alejandro Strachan
Reactive force fields,Parameterization of interatomic potentials
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MSE 597G Lecture 7: Advanced Techniques for Molecular Dynamics Simulations
12 Nov 2008 | | Contributor(s):: Alejandro Strachan
Thermostats and barostats,Linear methods for energy and force calculations,Coarse graining or mesodynamics,Validation and Verification.
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MSE 597G Lecture 2: Statistical Mechanics I
11 Nov 2008 | | Contributor(s):: Alejandro Strachan
Basic physics: statistical mechanics.
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MSE 597G Lecture 1: Classical Mechanics
11 Nov 2008 | | Contributor(s):: Alejandro Strachan
Basic physics: classical mechanics
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Thermoelectric Power Factor Calculator for Nanocrystalline Composites
18 Oct 2008 | | Contributor(s):: Terence Musho, Greg Walker
Quantum Simulation of the Seebeck Coefficient and Electrical Conductivity in a 2D Nanocrystalline Composite Structure using Non-Equilibrium Green's Functions
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nano-Materials Simulation Toolkit Quick Demo
18 Oct 2008 | | Contributor(s):: Alejandro Strachan
Demonstraton of the nanoHUB tool "nano-Materials Simulation Toolkit."
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Modern X-ray Scattering Methods for Nanoscale Materials Analysis
15 Oct 2008 | | Contributor(s):: Richard J. Matyi
Since its discovery by von Laue in 1912, X-ray diffraction has become an indispensable tool for structure determinations in the physical and biological sciences. X-rays are characterized by high energies and by wavelengths that are commensurate with nanometer-sized structures – unlike optical...
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Illinois MATSE 280 Introduction to Engineering Materials, Lecture 4 : Polymer Structures
04 Oct 2008 | | Contributor(s):: Duane Douglas Johnson, Omar N Sobh
Issues to Address...What are the basic Classification? Monomers and chemical groups? Nomenclature? Polymerization methods? Molecular Weight and Degree of Polymerization? Molecular Structures? Crystallinity? Microstructural features?
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Illinois MATSE 280 Introduction to Engineering Materials, Lecture 3 Part 4: Structures via Diffusion
28 Sep 2008 | | Contributor(s):: Duane Douglas Johnson, Omar N Sobh
Structures via DiffractionGoals Define basic ideas of diffraction (using x-ray, electrons, or neutrons, which, although they are particles, they can behave as waves) and show how to determine: Crystal Structure Miller Index Planes and Determine the Structure Identify cell symmetry Learning...
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Illinois MATSE 280 Introduction to Engineering Materials, Lecture 3 Part 3: Crystallographic Points, Directions, and Planes
22 Sep 2008 | | Contributor(s):: Duane Douglas Johnson, Omar N Sobh
Crystallographic Points, Directions, and PlanesIssues to Address...How to define points, directions, planes, as well aslinear, planar, and volume densitiesDefine basic terms and give examples of each: Points (atomic positions) Vectors (defines a particular direction - plane normal) Miller Indices...
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Illinois MATSE 280 Introduction to Engineering Materials, Lecture 3 Part 2: Structure of Ceramics
21 Sep 2008 | | Contributor(s):: Duane Douglas Johnson, Omar N Sobh
Structure of CeramicsIssues to Address...Structures of ceramic materials: How do they differ from that of metals?Define basic terms and give examples of each: Lattice Basis Atoms (Decorations or Motifs) Crystal Structure Unit Cell Coordination Numbers Describe hard-sphere packing and identify...
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Illinois MATSE 280 Introduction to Engineering Materials, Lecture 3 Part 1: Structure of Metals and Ceramics
19 Sep 2008 | | Contributor(s):: Duane Douglas Johnson, Omar N Sobh
Structures of Metals and CeramicsGoals Define basic terms and give examples of each: Lattice Basis Atoms (Decorations or Motifs) Crystal Structure Unit Cell Coordination Numbers Describe hard-sphere packing and identify cell symmetry Crystals density: the mass per volume (e.g. g/cm3) Linear...
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C.V. Raman and the Impact of Raman Effect in Quantum Physics, Condensed Matter, and Materials Science
18 Sep 2008 | | Contributor(s):: Anant K. Ramdas
Raman’s momentous discovery in 1928 that the spectral analysis of the light scattered by matter, illuminated with monochromatic light of frequency ωL, reveals new signatures at (ωL ± ωi) , ωi’s being the internal frequencies of the matter [Nature121, 501 (1928); Indian Journal of Physics 2, 387...
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Nanomaterials for Bone & Neural Tissue Engineering
11 Sep 2008 | | Contributor(s):: S. Swaminathan
Tissue engineering is defined as “the application of biological, chemical and engineering principles towards the repair, restoration or regeneration of tissues using scaffolds, cells, factors alone or in combination.” The goal lis to design and develop biodegradable, biocompatible polymer-ceramic...
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Illinois MatSE 280 Introduction to Engineering Materials, Lecture 2: Atomic Structure and Interatomic Bonding
18 Aug 2008 | | Contributor(s):: Duane Douglas Johnson, Omar N Sobh
Refortify your chemistry - Atomic scale structuresGoals Define basic concepts: Filling of Atomic Energy Levels: Pauli Exclusion Principle Atomic Orbitals (s-, p-, d-, and f- type electrons) Types of Bonding between Atoms The Periodic Table (and solid state structures)...
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Illinois MATSE 280: Introduction to Engineering Materials
18 Aug 2008 | | Contributor(s):: Duane Douglas Johnson
This course introduces you to the materials science and engineering of metals, ceramics, polymers, and electronic materials. Topics include: bonding, crystallography, imperfections, phase diagrams, properties and processing of materials. Case studies are used when...
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Virtual Kinetics of Materials Laboratory: Spinodal Decomposition 3D
04 Aug 2008 | | Contributor(s):: Michael Waters, R. Edwin Garcia, Alex Bartol
Simulates the Time-Dependent Segregation of Two Chemical Components