Application highlights Application Highlights Linked Runs of LSMS Inhomogeneous distribution of magnetic moment in a CuNi alloy.
Colored vectors depict the magnitude of the magnetic moment on the nickel sites.
The LSMS code, developed at ORNL, uses first principles physics to model the behavior of alloys. LSMS is the first computer model that has accurately captured the magnetic interactions responsible for the formation and stabilization of the local magnetic moments observed in neutron scattering data for CuNi. Very large systems are necessary to capture the overall magnetic structure in CuNi and provide a complete picture of the magnetism in this alloy. Using a simple decomposition, with one atom mapped to each node, meant runs of greater than 1024 atoms required multiple machines. The ORNL Paragons were also linked with the PSC T3D for smaller test runs.