All Categories (1-6 of 6)

1. Nanocluster Irradiation Evolution Predictor

   out of 5 stars 

   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

   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

   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

   out of 5 stars 

   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...