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All Categories (221-240 of 1181)

1. ME 697R Lecture 5.2: First Principles Method - Electronic Structure of Solids

   29 Oct 2019 | | Contributor(s):: Xiulin Ruan

2. Hierarchical material optimization

   28 Oct 2019 | | Contributor(s):: Miguel Arcilla Cuaycong

   Assembles all possible configurations of a structural level in a Hierarchical Material.

3. Henry Coefficient Simulator

   23 Oct 2019 | | Contributor(s):: Julian C Umeh, Thomas A Manz

   Calculate Henry's constant of several sites on a nanoporous material

4. Broadband Ferromagnetic Resonance Spectroscopy: The “Swiss Army Knife” for Understanding Spin–Orbit Phenomena

   23 Oct 2019 | | Contributor(s):: Justin Shaw

   I will begin this lecture with a basic introduction to spin-orbit phenomena, followed by an overview of modern broadband FMR techniques and analysis methods. I will then discuss some recent successes in applying broadband FMR to improve our ability to control damping in metals and half-metals,...

5. Biological 3D Structures by Cryo-EM: Challenges in Computations and Instruments

   23 Oct 2019 | | Contributor(s):: Wen Jiang

   Single particle cryo-EM is revolutionizing structural biology. Many structures of viruses and protein complexes have been determined to 2-4 Å resolutions. While stable structures that can be expressed/purified in large quantities can be solved routinely, the dynamic compositions and...

6. 3 min Research Talk: Web-based Machine Learning Tool for Material Discovery and Property Prediction

   26 Sep 2019 | | Contributor(s):: Bryan Arciniega

   This model allows the end-user to increase their knowledge on a scarce data set by using a data-rich property set. We also investigate the effect of chemical representation and autoencoder type on property prediction and compound generation.

7. 3 min Research Talk: Using Machine Learning for Materials Discovery and Property Prediction

   26 Sep 2019 | | Contributor(s):: Mackinzie S Farnell

   Machine Learning models present a transformative method of optimization and prediction in science and engineering research. In the chemical sciences, unsupervised deep learning models such as autoencoders have shown to be useful for property prediction and material...

8. Chemical Autoencoder for Latent Space Enrichment

   19 Sep 2019 | | Contributor(s):: Bryan Arciniega, Mackinzie S Farnell, Nicolae C Iovanac, Brett Matthew Savoie

   Chemical Autencoder uses machine learning for property prediction

9. Data Science and Machine Learning for MSE Students: introduction and Hands-on Activities

   10 Sep 2019 | | Contributor(s):: Alejandro Strachan, Juan Carlos Verduzco Gastelum, Saaketh Desai

   This document introduces basic concepts of data science and machine learning in the context of materials science applications. The focus is on hands-on activities where readers use open, online tools in nanoHUB to explore the concepts being introduced. Topics covered include querying data...

10. Solid Oxide Hydrogen Fuel Cell

    29 Aug 2019 |

    Solve the steady-state radial diffusion equation in a cylinder to calculate the flux through a tubular fuel cell, then set up the equations to calculate the oxygen concentration field inside the fuel cell and the total power produced.

11. Radiation in Hall–Héroult Cell Aluminum Smelting

    29 Aug 2019 | | Contributor(s):: Adam Powell

    Estimate heat flux from the graphite anode of a Hall-Heroult cell for smelting aluminum, and discuss uniformity of temperature across the anode.

12. Heat Transfer, Cost Modeling and Process Selection

    29 Aug 2019 | | Contributor(s):: Adam Powell

    Case study of polymer matrix composite process selection between resin transfer molding and chopped fiber injection molding, including heat conduction to calculate solidification time and technical cost modeling.

13. Adsorption Energy Calculator

    23 Aug 2019 | | Contributor(s):: Julian C Umeh, Thomas A Manz

    Calculate the total energy of adsorbates as they move around a metal organic framework

14. Growth of Precipitate Particle from Super Saturated Solid Solution

    22 Aug 2019 | | Contributor(s):: Matthew John M. Krane

    Use integral analysis to derive growth paramters for a precipitate particle during heat treatment.

15. Floating Bubbles Out of Molten Glass

    21 Aug 2019 | | Contributor(s):: Adam Powell

    Balance drag and buoyancy forces to determine the size of the largest bubble remaining in a container of molten glass after a certain amount of time.

16. Plate Glass Casting

    21 Aug 2019 | | Contributor(s):: Adam Powell

    Viscous flow of two layers down an inclined plane to model floating liquid glass on liquid tin.

17. ME 697R: Computation Methods for Nanoscale Energy Transport

    21 Aug 2019 | | Contributor(s):: Xiulin Ruan

    Fall 2019 This Course is in productionThis course provides a detailed presentation of the computational methods used to treat energy transport and conversion in the atomic and nanoscales. The methods include lattice dynamics, molecular dynamics, first principles calculations, Boltzmann transport...

18. Spreadsheet Finite Difference Model of 1-D Unsteady Conduction

    19 Aug 2019 | | Contributor(s):: David Dussault, Adam Powell

    Use a spreadsheet to estimate temperature history across a PMMA plate immersed in a hot fluid.

19. Nitriding of an Iron Thin Film

    19 Aug 2019 | | Contributor(s):: Adam Powell

    Calculate nitrogen concentration profile during diffusion into a finite thin film of iron using error function and Fourier series solutions.

20. Heat Loss Through Furnace Window

    19 Aug 2019 | | Contributor(s):: Matthew John M. Krane

    Solution of steady state heat conduction with approximate radiation boundary condition, the applicability of which is tested.