Ion-ion dynamic structure factor, acoustic modes, and equation of state of two-temperature warm dense aluminum.

The ion-ion dynamical structure factor and the equation of state of warm dense aluminum in a two-temperature quasiequilibrium state, with the electron temperature higher than the ion temperature, are investigated using molecular-dynamics simulations based on ion-ion pair potentials constructed from a neutral pseudoatom model. Such pair potentials based on density functional theory are parameter-free and depend directly on the electron temperature and indirectly on the ion temperature, enabling efficient computation of two-temperature properties. Comparison with ab initio simulations and with other average-atom calculations for equilibrium aluminum shows good agreement, justifying a study of quasiequilibrium situations. Analyzing the van Hove function, we find that ion-ion correlations vanish in a time significantly smaller than the electron-ion relaxation time so that dynamical properties have a physical meaning for the quasiequilibrium state. A significant increase in the speed of sound is predicted from the modification of the dispersion relation of the ion acoustic mode as the electron temperature is increased. The two-temperature equation of state including the free energy, internal energy, and pressure is also presented.

Equation of state, phonons, and lattice stability of ultrafast warm dense matter.

Using the two-temperature model for ultrafast matter (UFM), we compare the equation of state, pair-distribution functions g(r), and phonons using the neutral pseudoatom (NPA) model with results from density functional theory (DFT) codes and molecular dynamics (MD) simulations for Al, Li, and Na. The NPA approach uses state-dependent first-principles pseudopotentials from an "all-electron" DFT calculation with finite-T exchange-correlation functional (XCF). It provides pair potentials, structure factors, the "bound" and "free" states, as well as a mean ionization Z[over ¯] unambiguously. These are not easily accessible via DFT+MD calculations which become prohibitive for T/T_{F} exceeding ∼0.6, where T_{F} is the Fermi temperature. Hence, both DFT+MD and NPA methods can be compared up to ∼8eV, while higher T can be addressed via the NPA. The high-T_{e} phonon calculations raise the question of UFM lattice stability and surface ablation in thin UFM samples. The ablation forces in a UFM slab are used to define an "ablation time" competing with phonon formation times in thin UFM samples. Excellent agreement for all properties is found between NPA and standard DFT codes, even for Li where a strongly nonlocal pseudopotential is used in DFT codes. The need to use pseudopotentials appropriate to the ionization state Z[over ¯] is emphasized. The effect of finite-T XCF is illustrated via its effect on the pressure and the electron-density distribution at a nucleus.

Isochoric, isobaric, and ultrafast conductivities of aluminum, lithium, and carbon in the warm dense matter regime.

We study the conductivities σ of (i) the equilibrium isochoric state σ_{is}, (ii) the equilibrium isobaric state σ_{ib}, and also the (iii) nonequilibrium ultrafast matter state σ_{uf} with the ion temperature T_{i} less than the electron temperature T_{e}. Aluminum, lithium, and carbon are considered, being increasingly complex warm dense matter systems, with carbon having transient covalent bonds. First-principles calculations, i.e., neutral-pseudoatom (NPA) calculations and density-functional theory (DFT) with molecular-dynamics (MD) simulations, are compared where possible with experimental data to characterize σ_{ic}, σ_{ib}, and σ_{uf}. The NPA σ_{ib} is closest to the available experimental data when compared to results from DFT with MD simulations, where simulations of about 64-125 atoms are typically used. The published conductivities for Li are reviewed and the value at a temperature of 4.5 eV is examined using supporting x-ray Thomson-scattering calculations. A physical picture of the variations of σ with temperature and density applicable to these materials is given. The insensitivity of σ to T_{e} below 10 eV for carbon, compared to Al and Li, is clarified.

Pair potentials for warm dense matter and their application to x-ray Thomson scattering in aluminum and beryllium.

Ultrafast laser experiments yield increasingly reliable data on warm dense matter, but their interpretation requires theoretical models. We employ an efficient density functional neutral-pseudoatom hypernetted-chain (NPA-HNC) model with accuracy comparable to ab initio simulations and which provides first-principles pseudopotentials and pair potentials for warm-dense matter. It avoids the use of (i) ad hoc core-repulsion models and (ii) "Yukawa screening" and (iii) need not assume ion-electron thermal equilibrium. Computations of the x-ray Thomson scattering (XRTS) spectra of aluminum and beryllium are compared with recent experiments and with density-functional-theory molecular-dynamics (DFT-MD) simulations. The NPA-HNC structure factors, compressibilities, phonons, and conductivities agree closely with DFT-MD results, while Yukawa screening gives misleading results. The analysis of the XRTS data for two of the experiments, using two-temperature quasi-equilibrium models, is supported by calculations of their temperature relaxation times.

Synchronization of timepieces to the atomic clock in an urban emergency medical services system.

STUDY OBJECTIVE: Erroneous time documentation of emergency treatment caused by the variation in the accuracy of timepieces has profound medical, medicolegal, and research consequences. The purpose of this study was to confirm the variation of critical timepiece settings in an urban emergency care system noted in previous studies and to implement and monitor the results of a prospective program to improve time synchronization. METHODS: Timepieces (n = 393) used by firefighters, paramedics, and emergency physicians and nurses were randomly sampled immediately before and at two time intervals (1 and 4 months) after attempted synchronization to the US atomic clock standard. The setting on each timepiece was compared with the atomic clock. From the data, a mathematical simulation estimated the number of time-related documentation errors that would occur in 2,500 simulated cardiac arrest cases using timepieces with accuracy similar to those found in the EMS system before and after attempted synchronization. RESULTS: Before attempted synchronization, the timepieces had a mean error of 2.0 (95% confidence interval 1.8 to 2.3) minutes. One month after attempted synchronization, the mean error decreased significantly to .9(.8 to 1.1) minute. However, it increased to 1.7 (1.5 to 1.9) minutes within 4 months. Mathematical simulation before attempted synchronization predicted that 93% of cardiac arrest cases would contain a documentation error of 2 minutes or more and that 41% of cases would contain a documentation error of 5 minutes or more. Attempted synchronization cut the 2-minute documentation error rate in half and reduced the 5-minute documentation error rate by three fourths. However, the error rates were predicted to return to baseline 4 months after attempted synchronization. CONCLUSION: Emergency medical timepieces are often inaccurate, making it difficult to reconstruct events for medical, medicolegal, or research purposes. Community synchronization of timepieces to the atomic clock can reduce the problem significantly, but the effects of a one-time attempted synchronization event are short-lived.