Description
Session Chair: Hardy Gross
Multiscale modeling of matter away from local thermodynamic equilibrium (i.e., non-LTE conditions) requires the tabulation of material properties over not just temperature, pressure, and density - but the state of the ambient radiation field, as well. This compounds the typical computational demands of using multi-atom first principles models to create such tables by introducing yet another...
Most functionals used in density functional theory are based on the Coulomb interaction. This approximation to the more fundamental interaction found in quantum electrodynamics (QED) may be inadequate for matter under extreme conditions. I'll discuss what is missing and how to account for some relativistic effects using expansions in powers of 1/c. By analogy with electron-phonon coupled...
Femtosecond-laser pulses can induce structural phenomena like solid-to-solid phase transitions and ultrafast melting in crystalline structures. The main reason for the appearance of such effects is the ultrafast modification of the bonding properties in the induced nonthermal state consisting of extremely hot electrons and nearly unaffected cold ions. Although melting is a stochastic process...
