Dynamical properties of liquid Al near melting. An orbital-free molecular dynamics study

The static and dynamic structure of liquid Al is studied using the orbital free ab-initio molecular dynamics method. Two thermodynamic states along the coexistence line are considered, namely T = 943 K and 1323 K for which X-ray and neutron scattering data are available. A new kinetic energy functional, which fulfills a number of physically relevant conditions is employed, along with a local first principles pseudopotential. In addition to a comparison with experiment, we also compare our ab-initio results with those obtained from conventional molecular dynamics simulations using effective interionic pair potentials derived from second order pseudopotential perturbation theory.Comment: 15 pages, 12 figures, 2 tables, submitted to PR

Factors Associated with Revision Surgery after Internal Fixation of Hip Fractures

Background: Femoral neck fractures are associated with high rates of revision surgery after management with internal fixation. Using data from the Fixation using Alternative Implants for the Treatment of Hip fractures (FAITH) trial evaluating methods of internal fixation in patients with femoral neck fractures, we investigated associations between baseline and surgical factors and the need for revision surgery to promote healing, relieve pain, treat infection or improve function over 24 months postsurgery. Additionally, we investigated factors associated with (1) hardware removal and (2) implant exchange from cancellous screws (CS) or sliding hip screw (SHS) to total hip arthroplasty, hemiarthroplasty, or another internal fixation device. Methods: We identified 15 potential factors a priori that may be associated with revision surgery, 7 with hardware removal, and 14 with implant exchange. We used multivariable Cox proportional hazards analyses in our investigation. Results: Factors associated with increased risk of revision surgery included: female sex, [hazard ratio (HR) 1.79, 95% confidence interval (CI) 1.25-2.50; P = 0.001], higher body mass index (fo

Uranium recovery research sponsored by the Nuclear Regulatory Commission at Pacific Northwest Laboratory. Annual progress report, May 1982-May 1983

Pacific Northwest Laboratory (PNL) is currently conducting research for the US Nuclear Regulatory Commission (NRC) on uranium recovery process wastes for both active and inactive operations. NRC-sponsored uranium recovery research at PNL is focused on NRC regulatory responsibilities for uranium-recovery operations: license active milling and in situ extraction operations; concur on the acceptability of DOE remedial-action plans for inactive sites; and license DOE to maintain inactive sites following remedial actions. PNL's program consists of four coordinated projects comprised of a program management task and nine research tasks that address the critical technical and safety issues for uranium recovery. Specifically, the projects endeavor to find and evaluate methods to: prevent erosion of tailings piles and prevent radon release from tailings piles; evaluate the effectiveness of interim stabilization techniques to prevent wind erosion and transport of dry tailings from active piles; estimate the dewatering and consolidation behavior of slurried tailings to promote early cover placement; design a cover-protection system to prevent erosion of the cover by expected environmental stresses; reduce seepage into ground water and prevent ground-water degradation; control solution movement and reaction with ground water in in-situ extraction operations; evaluate natural and induced restoration of ground water in in-situ extraction operations; and monitor releases to the environment from uranium recovery facilities