Radiation Induced Segregation in Fe-Cr-Al Alloys
14 Aug 2018 | Presentation Materials | Contributor(s): Timothy Joe Pownell, Janelle P Wharry, Priyam Vivek Patki
This poster represents the results a summer long research project conducted by Timothy Pownell at the Purdue Nuclear Engineering Department. Specifically, the poster details the results and tool that were developed from data on Radiation Induced Segregation of the prospective cladding material...
Building Nanohub Tool "Optical Properties of Single Coaxial Nanowires -LDOS and Purcell Factor"
14 Aug 2018 | Presentation Materials | Contributor(s): Sulaiman Abdul-Hadi, Amartya Dutta, Melissa P Cardona, Chen Yang
My project was to build a simulation tool for Nanohub.org. The tool that I made is called “Optical Properties of Single Coaxial Nanowires -LDOS and Purcell Factor”, or NWLDOS.
Introduction to MATLAB - Jupyter Notebooks with Octave 4.2.0
14 Aug 2018 | Teaching Materials | Contributor(s): Abhishek K. Umrawal
Teaching material for "Introduction to MATLAB" a 40-hour workshop for Summer Undergraduate Research students organized by the Network for Computational Nanotechnology (NCN), Purdue University, IN.
Outreach at Nano-Link
14 Aug 2018 | Online Presentations | Contributor(s): kim Grady
9th Annual Student ConferenceHost: Nano-Link Affiliate, Oakton Community CollegeLocation: Skokie, IL and The Illinois Science & Technology ParkThe Nano-Link conference provides an opportunity for industry to speak about the job outlook, skills needed, where the industry is going,...
Simulation based Thermal Design Framework for Accelerated Structure exploration (STEDFAST)
09 Aug 2018 | Tools | Contributor(s): Prabudhya Roy Roy Chowdhury, Adam Sandor Garrett, Colleen Reynolds, Xiulin Ruan
Perform a genetic algorithm to optimize superlattice structures.
Genetic Algorithm Based Tight Binding Parameterisation
08 Aug 2018 | Papers | 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.
Powder Compaction and Unloading Simulation Poster
08 Aug 2018 | Presentation Materials | 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.
Predicting and Optimizing Solar Cell Performance with Material/Surface Characteristics
08 Aug 2018 | Presentation Materials | 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...
The Exciton Spectra Simulator of Photosynthetic Protein-pigment Complex
08 Aug 2018 | Presentation Materials | 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...
Autoencoder for Continuous Representation of Discrete Chemical Data
08 Aug 2018 | Presentation Materials | 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...
Deep Machine Learning for Machine Performance and Damage Prediction
08 Aug 2018 | Presentation Materials | 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...
A Brief Look at the nanoHUB Contribution Process
08 Aug 2018 | Presentation Materials
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...
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...
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...
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...
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
Computational Catalysis with DFT
01 Aug 2018 | Tools | Contributor(s): Kevin Greenman, Peilin Liao
DFT tool for studying heterogeneous catalysis
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
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