6,654 research outputs found
Equation of state of metallic hydrogen from Coupled Electron-Ion Monte Carlo simulations
We present a study of hydrogen at pressures higher than molecular
dissociation using the Coupled Electron-Ion Monte Carlo method. These
calculations use the accurate Reptation Quantum Monte Carlo method to estimate
the electronic energy and pressure while doing a Monte Carlo simulation of the
protons. In addition to presenting simulation results for the equation of state
over a large region of phase space, we report the free energy obtained by
thermodynamic integration. We find very good agreement with DFT calculations
for pressures beyond 600 GPa and densities above . Both
thermodynamic as well as structural properties are accurately reproduced by DFT
calculations. This agreement gives a strong support to the different
approximations employed in DFT, specifically the approximate
exchange-correlation potential and the use of pseudopotentials for the range of
densities considered. We find disagreement with chemical models, which suggests
a reinvestigation of planetary models, previously constructed using the
Saumon-Chabrier-Van Horn equations of state.Comment: 9 pages, 7 figure
Langlands duality for finite-dimensional representations of quantum affine algebras
We describe a correspondence (or duality) between the q-characters of
finite-dimensional representations of a quantum affine algebra and its
Langlands dual in the spirit of q-alg/9708006 and 0809.4453. We prove this
duality for the Kirillov-Reshetikhin modules and their irreducible tensor
products. In the course of the proof we introduce and construct "interpolating
(q,t)-characters" depending on two parameters which interpolate between the
q-characters of a quantum affine algebra and its Langlands dual.Comment: 40 pages; several results and comments added. Accepted for
publication in Letters in Mathematical Physic
Dressing Symmetries of Holomorphic BF Theories
We consider holomorphic BF theories, their solutions and symmetries. The
equivalence of Cech and Dolbeault descriptions of holomorphic bundles is used
to develop a method for calculating hidden (nonlocal) symmetries of holomorphic
BF theories. A special cohomological symmetry group and its action on the
solution space are described.Comment: 14 pages, LaTeX2
Enhancement of kinetic energy fluctuations due to expansion
Global equilibrium fragmentation inside a freeze out constraining volume is a
working hypothesis widely used in nuclear fragmentation statistical models. In
the framework of classical Lennard Jones molecular dynamics, we study how the
relaxation of the fixed volume constraint affects the posterior evolution of
microscopic correlations, and how a non-confined fragmentation scenario is
established. A study of the dynamical evolution of the relative kinetic energy
fluctuations was also performed. We found that asymptotic measurements of such
observable can be related to the number of decaying channels available to the
system at fragmentation time.Comment: 6 pages, 4 figure
Crossover in the Slow Decay of Dynamic Correlations in the Lorentz Model
The long-time behavior of transport coefficients in a model for spatially
heterogeneous media in two and three dimensions is investigated by Molecular
Dynamics simulations. The behavior of the velocity auto-correlation function is
rationalized in terms of a competition of the critical relaxation due to the
underlying percolation transition and the hydrodynamic power-law anomalies. In
two dimensions and in the absence of a diffusive mode, another power law
anomaly due to trapping is found with an exponent -3 instead of -2. Further,
the logarithmic divergence of the Burnett coefficient is corroborated in the
dilute limit; at finite density, however, it is dominated by stronger
divergences.Comment: Full-length paragraph added that exemplifies the relevance for dense
fluids and makes a connection to recently observed, novel long-time tails in
a hard-sphere flui
The 3-graviton vertex function in thermal quantum gravity
The high temperature limit of the 3-graviton vertex function is studied in
thermal quantum gravity, to one loop order. The leading () contributions
arising from internal gravitons are calculated and shown to be twice the ones
associated with internal scalar particles, in correspondence with the two
helicity states of the graviton. The gauge invariance of this result follows in
consequence of the Ward and Weyl identities obeyed by the thermal loops, which
are verified explicitly.Comment: 19 pages, plain TeX, IFUSP/P-100
WavePacket: A Matlab package for numerical quantum dynamics. III: Quantum-classical simulations and surface hopping trajectories
WavePacket is an open-source program package for numerical simulations in
quantum dynamics. Building on the previous Part I [Comp. Phys. Comm. 213,
223-234 (2017)] and Part II [Comp. Phys. Comm. 228, 229-244 (2018)] which dealt
with quantum dynamics of closed and open systems, respectively, the present
Part III adds fully classical and mixed quantum-classical propagations to
WavePacket. In those simulations classical phase-space densities are sampled by
trajectories which follow (diabatic or adiabatic) potential energy surfaces. In
the vicinity of (genuine or avoided) intersections of those surfaces
trajectories may switch between surfaces. To model these transitions, two
classes of stochastic algorithms have been implemented: (1) J. C. Tully's
fewest switches surface hopping and (2) Landau-Zener based single switch
surface hopping. The latter one offers the advantage of being based on
adiabatic energy gaps only, thus not requiring non-adiabatic coupling
information any more.
The present work describes the MATLAB version of WavePacket 6.0.2 which is
essentially an object-oriented rewrite of previous versions, allowing to
perform fully classical, quantum-classical and quantum-mechanical simulations
on an equal footing, i.e., for the same physical system described by the same
WavePacket input. The software package is hosted and further developed at the
Sourceforge platform, where also extensive Wiki-documentation as well as
numerous worked-out demonstration examples with animated graphics are
available
The graviton self-energy in thermal quantum gravity
We show generally that in thermal gravity, the one-particle irreducible
2-point function depends on the choice of the basic graviton fields. We derive
the relevant properties of a physical graviton self-energy, which is
independent of the parametrization of the graviton field. An explicit
expression for the graviton self-energy at high-temperature is given to
one-loop order.Comment: 13 pages, 2 figure
Noro-Frenkel scaling in short-range square well: A Potential Energy Landscape study
We study the statistical properties of the potential energy landscape of a
system of particles interacting via a very short-range square-well potential
(of depth ), as a function of the range of attraction to provide
thermodynamic insights of the Noro and Frenkel [ M.G. Noro and D. Frenkel,
J.Chem.Phys. {\bf 113}, 2941 (2000)] scaling. We exactly evaluate the basin
free energy and show that it can be separated into a {\it vibrational}
(-dependent) and a {\it floppy} (-independent) component. We
also show that the partition function is a function of ,
explaining the equivalence of the thermodynamics for systems characterized by
the same second virial coefficient. An outcome of our approach is the
possibility of counting the number of floppy modes (and their entropy).Comment: 4 pages, 4 figures accepted for publication on PR
Thermalization of an anisotropic granular particle
We investigate the dynamics of a needle in a two-dimensional bath composed of
thermalized point particles. Collisions between the needle and points are
inelastic and characterized by a normal restitution coefficient . By
using the Enskog-Boltzmann equation, we obtain analytical expressions for the
translational and rotational granular temperatures of the needle and show that
these are, in general, different from the bath temperature. The translational
temperature always exceeds the rotational one, though the difference decreases
with increasing moment of inertia. The predictions of the theory are in very
good agreement with numerical simulations of the model.Comment: 7 pages, 6 Figures, submitted to PRE. Revised version (Fig1, Fig5 and
Fig6 corrected + minor typos
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