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Illinois MatSE485/Phys466/CSE485 - Atomic-Scale Simulation
27 Jan 2009 | | Contributor(s):: David M. Ceperley
THE OBJECTIVE is to learn and apply fundamental techniques used in (primarily classical) simulations in order to help understand and predict properties of microscopic systems in materials science, physics, chemistry, and biology. THE EMPHASIS will be on connections between the simulation...
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Illinois PHYS 466, Lecture 1: Introduction
28 Jan 2009 | | Contributor(s):: David M. Ceperley
Introduction to Simulation Content: Why do simulations? Moore's law Two Simulation Modes Dirac, 1929 Challenges of Simulation: Physical and mathematical underpinnings Complexity Estimation of Computer Time and Size Challenges of Simulation: Multi-scale computational materials research Short...
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Illinois MatSE 280 Introduction to Engineering Materials, Lecture 7: Mechanical Properties
15 Dec 2008 | | Contributor(s):: Duane Douglas Johnson, Omar N Sobh
Mechanical PropertiesWhy Mechanical Properties? Need to design materials that will withstand applied load and in-service uses for ... Space exploration, Bridges for autos and people, skyscrapers, MEMS devices, Space elevator?Content: Stress and strain Elastic and Plastic Deformation of Metals...
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Illinois MATSE 280 Introduction to Engineering Materials, Lecture 6: Diffusion in Solids
19 Nov 2008 | | Contributor(s):: Duane Douglas Johnson, Omar N Sobh
Diffusion in SolidsISSUES TO ADDRESS... How does diffusion occur? How can the rate of diffusion be predicted forsome simple cases? How does diffusion depend on structure and temperatureContent Diffusion- Steady and Non-Steady State Simple Diffusion Inter-diffusion Self-diffusion...
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Illinois MATSE 280 Introduction to Engineering Materials, Lecture 5 - Part 2 : Line Defects, Dislocations and their Scale
14 Nov 2008 | | Contributor(s):: Duane Douglas Johnson, Omar N Sobh
Imperfections in Solids (Continue)Content: Line Defects: Dislocations and their Scale Line Defects: Dislocations Incremental Slip and Bond Breaking Edge Dislocations Exiting Crystal Form Steps Dislocations: Screw, Edge and Mixed (in handout) Formation of Steps from Screw and Edge...
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Illinois MATSE 280 Introduction to Engineering Materials, Lecture 5 - Part 1 : Imperfections in Solids
14 Nov 2008 | | Contributor(s):: Duane Douglas Johnson, Omar N Sobh
Imperfections in Solids ISSUES TO ADDRESS... What types of defects arise in solids? Describe them Can the number and type of defects be varied and controlled? How do defects affect material properties? Are defects undesirableGiven masses or atomic weights of two or more elements in an alloy,...
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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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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 Tools: NanoGromacsDemo
30 Oct 2006 | | Contributor(s):: Dairui Chen, Derrick Kearney, Jay Mashl, Nahil Sobh, Eric Jakobsson
Implementation of the popular molecular dynamics software suite GROMACS
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nanoJoule
28 May 2008 | | Contributor(s):: Feifei Lian, Feifei Lian, Feifei Lian
This tool performs a self-consistent simulation of the current-voltage curve of a metallic single-wall carbon nanotube with Joule heating.
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Lecture 24: The 4 Molecules of life
29 Apr 2008 | | Contributor(s):: Paul R Selvin
Atoms, Molecules, Macromolecules, you!Amino Acids, Sugars used as signals, Fatty Acids/Lipids
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Molecular modeling of lipid bilayer edge and hybrid-MCMD method: Implementation and application
29 Apr 2008 | | Contributor(s):: Yong Jiang
Introduction to mixed lipid systems, Hybrid Monte Carlo and MD (atomistic) algorithm for mixed lipid systems
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Lecture 18: Magnetotaxis
28 Apr 2008 | | Contributor(s):: Klaus Schulten, Paul R Selvin
Biochemical Mechanisms for Magnetic Orientation in Animals, guest lecture Klaus Schulten.
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Lecture 2: Central Dogma of Biology; Partition Function
28 Apr 2008 | | Contributor(s):: Paul R Selvin
Nucleic Acids, DNA,RNA, Cell size, Nucleotides, Boltzman factor, Partition function
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Lecture 1: Introduction to Biophysics
28 Apr 2008 | | Contributor(s):: Paul R Selvin
Understanding biology using simple ideas from physics
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Tutorial for NanogromacsSenior
28 Apr 2008 | | Contributor(s):: Dairui Chen