All Categories (1-20 of 43)

1. URE Experience - DFT Thermoelectric Calculations

   Online Presentations | 15 Apr 2022 | Contributor(s):: Gustavo Javier

   Gustavo discusses his experience in the 2015 NCN URE program and his work to develop a thermoelectric simulation for the nanoHBU tool DFT Material Properties Simulator . Gustavo Javier now teaches high school physics in the Los Angeles area.The DFT Material Properties Simulator can compute...

2. LAMMPS Data File Generator Tool Demo

   Online Presentations | 15 Apr 2022 | Contributor(s):: Carlos Miguel Patiño

   A quick demonstration of the nanoHUB tool LAMMPS Data-File Generator. This was developed as part of the 2017 NCN URE program.

3. Agrivoltaic Simulation

   Presentation Materials | 23 Sep 2019 | Contributor(s):: Hans Torsina, Allison Perna, Peter Bermel

           With the continually increasing food and energy demands which require sustainability, novel solutions in which agrivoltaic (agrophotovoltaic) is a part of are pushed to solve local land shortages and increase land productivity. Compared to...

4. Machine Learning for Property Prediction and Materials Discovery

   Presentation Materials | 20 Sep 2019 | Contributor(s):: Mackinzie S Farnell, Nicolae C Iovanac, Brett Matthew Savoie

   Machine learning displays excellent potential for generating material property predictions and discovering novel compounds with desirable properties; however, it can be prohibitively costly to obtain data to train machine learning models. This barrier can be overcome by training models to...

5. Web-based Machine Learning Tool for Material Discovery and Property Prediction

   Presentation Materials | 20 Aug 2019 | Contributor(s):: Bryan Arciniega, Mackinzie S Farnell, Nicolae C Iovanac, Brett Matthew Savoie

   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...

6. Plasmonic Core-Multishell Nanowires for Optical Applications

   Presentation Materials | 01 Aug 2019 | Contributor(s):: Raheem Carless, Amartya Dutta

   LEDs are very useful in today’s society, especially when compared to conventional incandescent and fluorescent lamps. According to the US Department of Energy, by 2027 the use of LEDs could save 348 TWh of electricity, which is the equivalent...

7. Elastoplastic Response of Compacted Pharmaceutical Powder Blends: Model Development, Calibration and Validation.

   Presentation Materials | 01 Aug 2019 | Contributor(s):: Paul Beckwith, Pedro Henrique Cidreiro Martins, Marcial Gonzalez

   The compaction of granular materials is a common operation in many industrial manufacturing processes, ranging from farming to pharmaceuticals, dietary supplements to diagnostics, and many others. The operation involves combining a mixture of powdered substances into a single bonded compact, or...

8. Hierarchical Material Optimization using Neural Networks

   Presentation Materials | 01 Aug 2019 | Contributor(s):: Miguel Arcilla Cuaycong, Valeria Grillo, Kristiaan William Hector, Pablo Daniel Zavattieri

   Material structures that occur in nature are commonly made up of complex architectures arranged in a hierarchy. These hierarchical architectures are made up of different structural levels consisting of a unique arrangement of simple constituents, acting as building blocks, that satisfy a local...

9. Structural Analysis for Molecular Dynamics Trajectories

   Presentation Materials | 03 Mar 2019 | Contributor(s):: Nicholas J Finan, Saaketh Desai, Sam Reeve, Alejandro Strachan

   This tool reads in LAMMPS trajectories and performs the following analysis: Radial Distribution Function (RDF), X-Ray Diffraction (XRD), Vibrational Density of States, and  (More to Come!). By default the tool requires trajectory files to be input by the user however there are some...

10. Ellipsoid Detection Using Matlab Image Processing

    Presentation Materials | 27 Feb 2019 | Contributor(s):: Gabrielle Kershaw, Charlie Lin, Cheng-wei Tai, Vivek Narsimhan

    The objective of this project was to create code using functions found in MATLAB Image Processing Toolbox, such as edge detection, thresholding, and morphology to isolate the desired ellipsoidal particles in images obtained from experiments. The code was to become a research tool that...

11. Analyzing Tensile Strength and Fracture Behavior in MCC and Lactose Composite Tablets

    Presentation Materials | 27 Feb 2019 | Contributor(s):: Melanie Hacopian, Marcial Gonzalez, Isabel Bojanini, Vidal Lopez, Jesse Lee Hoffman, Caroline Baker

    Tablets containing various compositions of MCC and Lactose at several relative densities were subjected to fracture and analyzed for tensile strength. Results showed that as the mass fraction of Lactose increased, tensile strength and fracture strength decreased. Analyzing the tensile strength...

12. Phase Transforming Cellular Material Simulator

    Presentation Materials | 27 Aug 2018 | Contributor(s):: Gavin Carter, Yunlan Zhang, Kristiaan William Hector, Pablo Daniel Zavattieri

    Cellular material that exhibits phase transformations provide a variety of applications from the construction of medical casts to car bumpers. Materials with multiple phases are able to experience a multitude of loading and unloading forces. How the materials reacts is in part due to its...

13. Phase Transforming Cellular Materials (Spherical Shells)

    Presentation Materials | 27 Aug 2018 | Contributor(s):: Valeria Grillo, ASHLEY MIN, Gavin Carter, Yunlan Zhang, Kristiaan William Hector, David Restrepo Arango, Chidubem Nuela Enebechi, Pablo Daniel Zavattieri, Nilesh Mankame

    “Phase transforming cellular materials (PXCMs) are a class of materials whose unit cells exhibit multiple configurations (metastable or bistable) [1]. The geometrical structure of the PXCM can change to increase the energy absorbed. The hysteretic nature of the PXCM makes the potential...

14. AFM And EBSD Cross-Comparison Analysis Tool

    Presentation Materials | 14 Aug 2018 | Contributor(s):: Andrew Martin Krawec, John Blendell, Matthew John Michie

    Ceramic and semiconductor research is limited in its ability to create holistic representations of data in concise, easily-accessible file formats or visual data representations. These materials are used in everyday electronics, and optimizing their electrical and physical properties is...

15. Developing a machine learning tool to optimize thermal transport

    Presentation Materials | 14 Aug 2018 | Contributor(s):: Adam Sandor Garrett, proycho, Xiulin Ruan, creynolds

    The purpose of this tool is to optimize SiGe super-lattices to have the lowest possible thermal conductivity. This poster describes the processes used in the tool and how it impacts thermoelectrics.

16. Radiation Induced Segregation in Fe-Cr-Al Alloys

    Presentation Materials | 14 Aug 2018 | 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...

17. Building Nanohub Tool "Optical Properties of Single Coaxial Nanowires -LDOS and Purcell Factor"

    Presentation Materials | 14 Aug 2018 | 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.

18. Powder Compaction and Unloading Simulation Poster

    Presentation Materials | 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.

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

    Presentation Materials | 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...

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

    Presentation Materials | 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...