Exascale Computing Project

Applications

Exascale Computing Project:  Proteas

ORNL personnel lead the following projects.

Coupled Monte Carlo Neutronics and Fluid Flow Simulation of Small Modular Reactors, led by Tom Evans

Description: Couple high-fidelity neutronics + fluid dynamics in an integrated toolkit for modeling the operational behavior of SMRs. Model operational behavior of existing Light Water Reactors at full power with full-core multiphase thermal hydraulics and fuel depletion (over the complete reactor lifetime).

 

QMCPACK: A Framework for Predictive and Systematically Improvable Quantum Mechanics Based Simulations of Materials, led by Paul Kent

Description: Find, predict and control materials and properties at the quantum level with an unprecedented and systematically improvable accuracy. Simulate transition metal oxide systems, e.g., complex oxide heterostructures that host novel quantum phases, to 10meV statistical accuracy. Major potential materials science impact, e.g., uncovering the mechanisms behind high-temperature superconductivity.

 

Transforming Additive Manufacturing through Exascale Simulation, led by John Turner

Description: A validated additive manufacturing (AM) simulator enables determination of optimal process parameters for desired material properties and real-time in situ process optimization. Coupled to a modern design optimization tool, allows routine use of AM to build novel and qualifiable metal alloy parts.