217 research outputs found
Quantum molecular dynamics simulations for the nonmetal-to-metal transition in fluid helium
We have performed quantum molecular dynamics simulations for dense helium to
study the nonmetal-to-metal transition at high pressures. We present new
results for the equation of state and the Hugoniot curve in the warm dense
matter region. The optical conductivity is calculated via the Kubo-Greenwood
formula from which the dc conductivity is derived. The nonmetal-to-metal
transition is identified at about 1 g/ccm. We compare with experimental results
as well as with other theoretical approaches, especially with predictions of
chemical models.Comment: 4 pages, 5 figure
On "the complete basis set limit" and plane-wave methods in first-principles simulations of water
Water structure, measured by the height of the first peak in oxygen-oxygen
radial distributions, is converged with respect to plane-wave basis energy
cutoffs for ab initio molecular dynamics simulations, confirming the
reliability of plane-wave methods.Comment: 9 pages, 3 figure
Reactor sterile neutrinos, dark energy and the age of the universe
There are indications that the neutrino oscillation data from reactor
experiments and the LSND and MiniBooNE experiments show a preference for two
sterile neutrino species, both with masses in the eV region. We show that this
result has a significant impact on some important cosmological parameters.
Specifically, we use a combination of CMB, LSS and SN1A data and show that the
existence of two light, sterile neutrinos would rule out the cosmological
constant as dark energy at 95% confidence level, and lower the expansion age of
the universe to 12.58 \pm 0.26 Gyr.Comment: Accepted for publication in Astronomy & Astrophysics. References
added and typos corrected. Added numerical values for w ranges and Delta
chi^2. Minor extension of discussio
Quantum-mechanical calculation of H on Ni(001) using a model potential based on first-principles calculations
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