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  1. Simulation based Thermal Design Framework for Accelerated Structure exploration (STEDFAST)

    09 Aug 2018 | Contributor(s): Prabudhya Roy Roy Chowdhury, Adam Sandor Garrett, Colleen Reynolds, Xiulin Ruan

    Perform a genetic algorithm to optimize superlattice structures.

  2. Genetic Algorithm Based Tight Binding Parameterisation

    08 Aug 2018 | Contributor(s): Samik Mukherjee

    This paper is a short description on how to use MATLAB genetic algorithm toolbox for generating tight binding parameters. A Hamiltonian is constructed and interfaced with MATLAB genetic algorithm for generating parameters that have been put in NEMO5 quantum transport software.

  3. Powder Compaction and Unloading Simulation Poster

    08 Aug 2018 | Contributor(s): Jesse Lee Hoffman, Isabel Bojanini, Melanie Hacopian, Vidal Lopez, Caroline Baker, Marcial Gonzalez

    This poster shows the development process of a tool that simulates the mechanical behavior of a binary mixture during compaction and unloading.

  4. Predicting and Optimizing Solar Cell Performance with Material/Surface Characteristics

    08 Aug 2018 | Contributor(s): Yiheng Zhu, Allison Perna, Peter Bermel

    Renewable energy sources have begun replacing fossil fuels at the utility scale. In particular, photovoltaics has grown rapidly in recent years. To further improve solar technology in terms of cost and efficiency and promote adoption, researchers often seek material and device level...

  5. The Exciton Spectra Simulator of Photosynthetic Protein-pigment Complex

    08 Aug 2018 | Contributor(s): Qifeng Chen, Yongbin Kim, Lyudmila V. Slipchenko

        The solar energy is one of the most successful alternative energy sources because of its unlimited availability and environmental friendliness. However, the energy transfer rate in artificial solar devices is significantly lower than the energy transfer rate in plants and...

  6. Autoencoder for Continuous Representation of Discrete Chemical Data

    08 Aug 2018 | Contributor(s): Mariana Rodriguez, Nicolae C Iovanac, Brett Matthew Savoie

    Fuel cells are a promising alternative energy source that are capable of efficiently producing energy by reacting hydrogen and oxygen to generate clean water vapor as the only byproduct. However, one of the major bottlenecks in fuel cell research is the limited operating range, environmentally...

  7. Predicting and Optimizing Solar Cell Performance with Material/Surface Characteristics

    08 Aug 2018 | Contributor(s): Yiheng Zhu, Allison Perna, Peter Bermel

    Renewable energy sources have begun replacing fossil fuels at the utility scale. In particular, photovoltaics has grown rapidly in recent years. To further improve solar technology in terms of cost and efficiency and promote adoption, researchers often seek material and device level...

  8. Deep Machine Learning for Machine Performance and Damage Prediction

    08 Aug 2018 | Contributor(s): Elijah Reber, Nickolas D Winovich, Guang Lin

    Deep learning has provided opportunities for advancement in many fields. One such opportunity is being able to accurately predict real world events. Ensuring proper motor function and being able to predict energy output is a valuable asset for owners of wind turbines. In this paper, we look at...

  9. A Brief Look at the nanoHUB Contribution Process

    08 Aug 2018 | Presentation Materials

  10. Grain Boundary Motion Analysis

    08 Aug 2018 | Presentation Materials | Contributor(s): Jeremy Seiji Marquardt, Xiaorong Cai, Marisol Koslowski

        Grain growth is a mechanism to relax residual stresses in thin films. These grains grow out of the thin film surface and are known as whiskers. These whiskers can cause short circuits, so developing scalable and cost effective solutions would increase the reliability and...

  11. Computational Catalysis with Density Functional Theory

    08 Aug 2018 | Presentation Materials | Contributor(s): Kevin Greenman, Peilin Liao

    Heterogeneous catalysis is used in a significant portion of production processes in the industrialized world, which makes maximizing the efficiency of catalysts a high priority. However, the immense number of candidates for new catalysts precludes the possibility of testing all of them by...

  12. GUI for the Surface Evolver - Polycrystalline Grain Growth

    08 Aug 2018 | Presentation Materials | Contributor(s): Kevin K Ngo, Lucas Darby Robinson

    This poster summarizes how the the online simulation tool, GUI for the Surface Evolver, was created as well as how it will impact research in polycrystalline grain growth. Polycrystalline grains have surface energies and tensions associated with them that cause grain boundaries to move...

  13. Carbon Nanotube Counter

    08 Aug 2018 | Downloads | Contributor(s): Quinn Lennemann

    Carbon Nanotube Counter (CNT Counter) is a program that can count the density of Carbon Nanotubes in microscope scans. The program supports JPEG and TIFF images from both Scanning Electron Microscopes (SEMs) and Atomic Force Microscopes (AFMs). This program contains both an automatic mode and a...

  14. Grain Boundary Mobility

    01 Aug 2018 | Tools | Contributor(s): Jeremy Seiji Marquardt, Xiaorong Cai, Marisol Koslowski

    Graph and visualize grain boundary movements for Tin whiskering

  15. Computational Catalysis with DFT

    01 Aug 2018 | Tools | Contributor(s): Kevin Greenman, Peilin Liao

    DFT tool for studying heterogeneous catalysis

  16. LAMMPS Structure Analysis Toolkit

    01 Aug 2018 | Tools | Contributor(s): Nicholas J Finan, Saaketh Desai, Sam Reeve, Alejandro Strachan

    Perform structural analysis on trajectories in LAMMPS dump format

  17. Wind Turbine Power Prediction

    30 Jul 2018 | Tools | Contributor(s): Elijah Reber, Nickolas D Winovich, Guang Lin

    This tool uses a trained neural network algorithm to predict the energy output and failure of a wind turbine using sensor data

  18. Contour PV

    20 May 2017 | Tools | Contributor(s): Yiheng Zhu, Valerie C Vidal, Allison Perna, Peter Bermel

    Sweep parameters to generate contour plots of photovoltaic device characteristics

  19. Take the nanoHUB Carbon Nanotube Dance Challenge!

    23 Jul 2018 | Teaching Materials | Contributor(s): Tanya Faltens

    This teaching resource provides background information on Carbon Nanotubes (CNTs), as well as instructions for simulating different chirality CNTs and interpreting the results.

  20. The Use of Probes, Beams, and Waves for Characterization at the Nano-Scale

    20 Jul 2018 | Online Presentations | Contributor(s): Stephen J. Fonash, NACK Network

    OutlineThe tools for characterizing materials and structures at the nano-scaleProbesPhoton beamsElectron beamsIon beamsAcoustic waves