Theoretically and computationally, such predictions are at the forefront of the field of materials physics. Technical areas of interest A wide variety of materials models are of interest to the ASCI program.
Current models are descriptive, empirical models derived from experimental data.
ASCI needs first-principles microscopic predictions of changes in materials properties as a result of aging and manufacturing. Consequently, ASCI is interested in the application of advanced QMC methods to the EOS of hydrogen and other low-Z elements. Continuum-scale response models based on fundamental physical and chemical properties are needed as well as an improved understanding of these phenomena at the atomic scale. Mechanical properties of materials Microstructure evolution and multi-scale materials modeling The predictive modeling and simulation of the plastic deformation of materials under extreme conditions of pressure and temperature is important. Description of material response in this regime is difficult because laboratory testing is impractical or impossible.