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  1. materialsscience x
  1. MSE 582 Lecture 3: Lenses, Apertures and Resolution

    20 Sep 2017 | Online Presentations

  2. Understanding the Role of Fabrication Method on Metal Alloys Used in Nuclear Power Plants

    07 Aug 2017 | Online Presentations

    Current nuclear reactor components consist of forged or casted Iron-based or Nickel-based alloys.  Both these fabrication techniques present challenges in long-term performance and structural integrity. A possible alternative investigated in this research includes Powder Metallurgy (PM)...

  3. Multiscale Modelling of Nanoparticle Suspensions

    12 Jun 2017 | Online Presentations

    In the present work a multiscale modelling approach is implemented to relate the nanoscale phenomena to the macroscopic bulk properties of nano-suspensions. Specifically, Molecular Dynamics (MD) simulations and Brownian Dynamics (BD) are synergistically integrated to understand the mechanisms...

  4. Can we save lives with thermodynamics? Nanoengineering and Thermofluids for the Water-Food-Energy Nexus

    27 Apr 2017 | Online Presentations

    Climate change, degrading water resources, and economic and population growth are increasing the need for new science and technologies at the Water-Energy-Food Nexus. In enabling new and improved technologies to tackle these issues, new nanomaterials designed with systems-level thermodynamics is...

  5. Learning Module: Microcantilevers

    09 Feb 2017 | Teaching Materials

    This learning module introduces you to the microcantilever, its applications in micro and nanotechnologies, its use in sensor arrays, and how it works in both static and dynamic modes of operation.  There is a pre and post-test, four (4) informational units (PKs), and two (2)...

  6. 2016 Summer School for Integrated Computational Materials Education

    17 Jan 2017 | Workshops

  7. Piezo Nanomaterials and Green Energy

    19 Oct 2016 | Online Presentations

    This presentation will introduce the fundamental principle of nanogenerator and its potential applications.

  8. High Accuracy Atomic Force Microscope with Self-Optimizing Scan Control

    19 Sep 2016 | Online Presentations

    Atomic force microscope (AFM) is a very useful instrument in characterizing nanoscale features, However, the original AFM design, based on piezo-tube scanner, had slow response and non-orthogonal behavior, inadequate to address the metrology needs of industrial applications: accuracy,...

  9. Nanotechnology and the NAE Grand Challenge Make Solar Energy Economical

    20 Jun 2016 | Teaching Materials

    This group of materials is designed to provide a framework to teach students in an introductory engineering course basic nanotechnology concepts. The materials use the NAE grand challenge “Make Solar Energy Economical” to underpin the need and potential for nanotechnology to address...

  10. MD simulations of shock loading

    29 Nov -0001 | Tools

    Use MD simulation to study shocks in various materials including metals and energetics

  11. Reproducing results of "Thermal transport in SiGe superlattice thin films and nanowires"

    29 Nov -0001 | Papers

    In this document we show how to reproduce results in the paper "Thermal transport in SiGe superlattice thin films and nanowires", Keng-hua Lin, and Alejandro Strachan Physical Review B 87, 115302 (2011) using the nanoMATERIALS nanoscale heat transport tool in nanoHUB....

  12. Reproducing DFT calculations of Al2O3/GaAs interface structure and Fermi level pinning

    29 Nov -0001 | Presentation Materials

    The goal of this resource is to demonstrate how to reproduce the results of the following research paper using the nanoMATERIALS SeqQuest DFT simulation tool on nanoHUB.  In addition to reproducing the paper's results, users can run variations of the simulation to explore the...

  13. Crack Propagation Simulation

    29 Nov -0001 | Tools

    Simulate crack propagations through materials under applied loads.

  14. Crack Propagation Simulation

    29 Nov -0001 | Tools

    Simulate crack propagations through materials under applied loads.

  15. Homework assignment: learning about elastic constants via molecular dynamics simulations

    29 Nov -0001 | Teaching Materials

    In this homework assignment students will use molecular dynamics to compute the elastic constants of metals using an embedded atom model to describe atomic interactions. They will deform  a single crystal along different directions and obtain c11, c12 and c44 elastic constants from the...

  16. Melting via molecular dynamics simulations

    29 Nov -0001 | Teaching Materials

    In this assignment you will use MD simulations to study melting in metals using the nanoMATERIALS simulation tool in nanoHUB. You will build a supercell and heat it up to study its melting. You can visualize the atomic configuration as the temperature is increased and after melting. From the...

  17. OnlineSimulation tutorial and assignment: electronic structure and spin of the O atom

    29 Nov -0001 | Teaching Materials

    In this tutorial students will use density functional theory (DFT) calculations using the nanoHUB tool SeqQuest to study the electronic structure of the oxygen atom. The tutorial shows how to compute energy for the spin 1 (triplet) and spin 0 (singlet) states and analyze the exchange...

  18. OnlineSimulation tutorial and assignment: electronic structure and spin in O2 molecule

    29 Nov -0001 | Teaching Materials

    In this tutorial students will use density functional theory (DFT) calculations using the nanoHUB tool SeqQuest to study the electronic structure and bonding in the O2 molecular. The tutorial shows how to predict the relaxed bond distance in O2 (i.e. minimum energy structure) both for...

  19. OnlineSimulation tutorial and assignment: bonding curves in H2 and He2 molecules

    29 Nov -0001 | Teaching Materials

    In this tutorial students will use density functional theory (DFT) calculations using the nanoHUB tool SeqQuest to study bonding in two simple molecules: H2 and He2. The tutorial shows how to compute energy as a function of bond distance and extract the equilibrium bond distance and bond...

  20. Franck-Condon Overlap Integrals

    29 Nov -0001 | Downloads

    Franck-Condon Overlap Integrals: calculates the vibrational overlap integral between two nuclear wavefunctions using the formalism developed by Sharp and Rosenstock [J. Chem. Phys., 41, 3453 (1964)].