The code GEFIE-QUAD (gratings electric field integral equation on quadrilateral grids) is a first-principles simulation method to model the interaction of laser light with diffraction gratings, and to determine how grating imperfections can affect the performance of the compressor in a CPA laser system. GEFIE-QUAD gives scientists a powerful simulation tool to predict the performance of a realistic laser compressor.
Livermore researchers have developed an algorithm for the numerical solution of a phase-field model of microstructure evolution in polycrystalline materials. The system of equations includes a local order parameter, a quaternion representation of local orientation, and species composition. The approach is based on a finite volume discretization and an implicit time-stepping algorithm. Recent developments have been focused on modeling solidification in binary alloys, coupled with CALPHAD methodology.
LLNL researchers are developing a truly scalable first-principles molecular dynamics algorithm with O(N) complexity and controllable accuracy, capable of simulating systems of sizes that were previously impossible with this degree of accuracy.
LLNL researchers are testing and enhancing a neutral particle transport code and the algorithm on which the code relies to ensure that they successfully scale to larger and more complex computing systems.
The Serpentine project develops advanced finite difference methods for solving hyperbolic wave propagation problems. Our approach is based on solving the governing equations in second order differential formulation using difference operators that satisfy the summation by parts principle.
The Livermore Metagenomic Analysis Toolkit (LMAT) is a genome sequencing technology that helps accelerate the comparison of genetic fragments with reference genomes and improve the accuracy of the results as compared to previous technologies. It tracks approximately 25 billion short sequences and is currently being evaluated for potential operational use in global biosurveillance and microbial forensics by various federal agencies.
Through research funded at LLNL, scientists have developed BLAST, a high-order finite element hydrodynamics research code that improves the accuracy of simulations, provides a path to extreme parallel computing and exascale architectures, and gives an HPC advantage.