The generalized perturbation method, commonly used in connection with the band energy contribution to the energy of a solid to approximate the total energy of an ordered configuration of an alloy, is reformulated with respect to total energy. The connection of the results derived here to those obtained based on the band energy is pointed out, and possible applications of the method is discussed.

Energy-dependent photoelectron diffraction (EDPD) has been used to determine the surface structure of a surface alloy. Direct imaging has been achieved by Fourier transformation of experimental energy-dependent photoelectron diffraction data. This holographic method, based upon the intersection of contour arcs associated with each measurement direction, can provide vectorial atomic positions with atomic resolution. Experimental analysis is supported by Fourier transformation of simulations from multiple scattering calculations. The surface geometry of c(2x2) Au/Cu(001) has been imaged in an elementally-specific manner, with clear, non-model-dependent discrimination of the surface alloy over the overlayer structure.

This work provides a brief overview of past and ongoing efforts at Lawrence Livermore National Laboratory (LLNL) in the area of finite-element modeling of crash and impact problems. The process has been one of evolution in several respects. One aspect of the evolution has been the continual upgrading and refinement of the DYNA, NIKE, and TOPAZ family of finite-element codes. The major missions of these codes involve problems where the dominant factors are high-rate dynamics, quasi-statics, and heat transfer, respectively. However, analysis of a total event, whether it be a shipping container drop or an automobile/barrier collision, may require use or coupling or two or more of these codes. Along with refinements in speed, contact capability, and element technology, material model complexity continues to evolve as more detail is demanded from the analyses. A more recent evolution has involved the mix of problems addressed at LLNL and the direction of the technology thrusts. A pronounced increase in collaborative efforts with the civilian and private sector has resulted in a mix of complex problems involving synergism between weapons applications (shipping container, earth penetrator, missile carrier, ship hull damage) and a more broad base of problems such as vehicle impacts as discussed …