Tags: computational materials

Online Presentations (1-7 of 7)

  1. 3 min Research Talk: AFM And EBSD Cross-Comparison Analysis Tool

    31 Jan 2019 | | Contributor(s):: Andrew Martin Krawec

    This talk describes an approach to analyzing the crystal structure using data collected from AFM and EBSD scans to build an accurate image of the crystal structure and orientation in the ceramic

  2. 3 min Research Talk: Analysis of Radiation Induced Segregation in Fe-Cr-Al Alloys

    31 Jan 2019 | | Contributor(s):: Timothy Joe Pownell

    This presentation gives an overview of the results and tool that were developed from data on Radiation Induced Segregation of the prospective cladding material Fe-Cr-Al.

  3. 3 min Research Talk: Predicting and Optimizing Solar Cell Performance with Material/Surface Characteristics

    31 Jan 2019 | | Contributor(s):: Yiheng Zhu

    Photovoltaic simulation tools can be utilized to predict device performance before fabrication and experimentation, streamline research processes, and interpret experimental results. Therefore, we developed ContourPV, which simulates various combinations of values of different device...

  4. Application-driven Co-Design: Using Proxy Apps in the ASCR Materials Co-Design Center

    31 May 2012 | | Contributor(s):: Jim Belak

    Computational materials science is performed with a suite of applications that span the quantum mechanics of interatomic bonding to the continuum mechanics of engineering problems and phenomenon specific models in between. In this talk, we will review this suite and the motifs used in each of the...

  5. Dynamics on the Nanoscale: Time-domain ab initio studies of quantum dots, carbon nanotubes and molecule-semiconductor interfaces

    31 Jan 2008 | | Contributor(s):: Oleg Prezhdo

    Device miniaturization requires an understanding of the dynamical response of materials on the nanometer scale. A great deal of experimental and theoretical work has been devoted to characterizing the excitation, charge, spin, and vibrational dynamics in a variety of novel materials, including...

  6. NCN, nanoHUB, HUBzero: cyberinfrastructure for nanotechnology

    13 May 2010 | | Contributor(s):: Mark Lundstrom

    Presentation made at the Workshop to Develop the Global Nanotechnology Network, Grenoble, France.

  7. Session 4: Discussion

    20 Dec 2007 |

    Discussion led by Mark Allendorf, Sandia National Laboratory.