Tags: NCN SURF

Online Presentations (1-5 of 5)

  1. Modelling of Phase Transforming Cellular Material (PXCM)

    28 Aug 2017 | Online Presentations | Contributor(s): Chidubem Nuela Enebechi, Yunlan Zhang, David Restrepo Arango, Pablo Daniel Zavattieri, Nilesh Mankame

    Phase transforming cellular materials (PXCMs) are a new class of materials that can go through large deformation and return to their original configuration. Currently, there are reliable cellular...

    http://nanohub.org/resources/26939

  2. Electronic and Thermoelectric Characterization of Materials from Ab Initio Calculations

    15 Aug 2017 | Online Presentations | Contributor(s): Gustavo Javier, David M Guzman, Austin Jacob Zadoks, Alejandro Strachan

    We present the Optimized Workflow for Electronic and Thermoelectric Properties (OWETP) python notebook, which uses Density Functional Theory (DFT) as implemented in the Quantum Espresso code for...

    http://nanohub.org/resources/27064

  3. Structure-Force Field Generator for Molecular Dynamics Simulations

    07 Aug 2017 | Online Presentations | Contributor(s): Carlos Miguel Patiño, Lorena Alzate-Vargas, Alejandro Strachan

    Atomistic and molecular simulations have become an important research field due to the progress made in computer performance and the necessity of new and improved materials. Despite this, first...

    http://nanohub.org/resources/26959

  4. Efficient Exploration of Quantified Uncertainty in Granular Crystals

    16 Mar 2016 | Online Presentations | Contributor(s): Juan Camilo Lopez

    This work presents a way of quantifying uncertainty in granular crystals in a computationally efficient way. To accomplish this, a low dimensional response surface is approximated through the...

    http://nanohub.org/resources/23760

  5. Nanomechanics Simulation Tool: Dislocations Make or Break Materials

    16 Mar 2016 | Online Presentations | Contributor(s): Michael N Sakano

    The goal of computational material science is to improve existing materials and design new ones through mathematical calculations. In particular, molecular dynamic simulations can allow for...

    http://nanohub.org/resources/23765