Tags: alloy

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  1. Nanocluster Irradiation Evolution Predictor

    Tools | 20 May 2017 | Contributor(s):: Didier Ishimwe, Matthew John Swenson, Janelle P Wharry

    Predict size evolution of solute nanoclusters in metallic alloys under irradiation.

  2. Graphene Layer Structure with 3% Random Silicon

    Downloads | 02 Aug 2019 | Contributor(s):: James Charles, Sabre Kais, Tillmann Christoph Kubis

    This .xyz file contains a 11,520,000 atoms structure of graphene with randomly placed Silicon. The concentration of Silicon is approximately 3%. This structure file was used to create the data in the paper "Recursive open boundary and interfaces method for material modeling, exemplified on...

  3. PRISMS-PF: Equilibrium Shape for a Misfitting Precipitate

    Tools | 10 Jun 2019 | Contributor(s):: Stephen DeWitt, Nicole Shuman, Susan P Gentry

    Use the phase field method to determine the equilibrium shape of precipitate with misfit strain relative to the matrix.

  4. Dongsheng Wen

    https://nanohub.org/members/184482

  5. Sumudu Tennakoon

    https://nanohub.org/members/172279

  6. Atomistic Electronic Structure Calculations of Unstrained Alloyed Systems Consisting of a Million Atoms

    Papers | 14 Jan 2008 | Contributor(s):: Gerhard Klimeck, Timothy Boykin

    The broadening of the conduction and valence band edges due to compositional disorder in alloyed materials of finite extent is studied using an s p3 s ∗ tight binding model. Two sources of broadening due to configuration and concentration disorder are identified. The concentrational disorder...