Search results for "lattice [space-time]"
showing 10 items of 692 documents
Ab initiocomputational study on the lattice thermal conductivity of Zintl clathrates[Si19P4]Cl4andNa4[Al4Si19]
2016
The lattice thermal conductivity of silicon clathrate framework ${\mathrm{Si}}_{23}$ and two Zintl clathrates, $[{\mathrm{Si}}_{19}{\mathrm{P}}_{4}]{\mathrm{Cl}}_{4}$ and ${\mathrm{Na}}_{4}[{\mathrm{Al}}_{4}{\mathrm{Si}}_{19}]$, is investigated by using an iterative solution of the linearized Boltzmann transport equation in conjunction with ab initio lattice dynamical techniques. At 300 K, the lattice thermal conductivities for ${\mathrm{Si}}_{23}, [{\mathrm{Si}}_{19}{\mathrm{P}}_{4}]{\mathrm{Cl}}_{4}$, and ${\mathrm{Na}}_{4}[{\mathrm{Al}}_{4}{\mathrm{Si}}_{19}]$ were found to be 43 W/(m K), 25 W/(m K), and 2 W/(m K), respectively. In the case of ${\mathrm{Na}}_{4}[{\mathrm{Al}}_{4}{\mathrm…
MRI-Visible Poly(ε-caprolactone) with Controlled Contrast Agent Ratios for Enhanced Visualization in Temporary Imaging Applications
2013
International audience; Hydrophobic macromolecular contrast agents (MMCAs) are highly desirable to provide safe and efficient magnetic resonance (MR) visibility to implantable medical devices. In this study, we report on the synthesis and evaluation of novel biodegradable poly(ε-caprolactone)-based MMCAs. Poly(α-propargyl-ε-caprolactone-co-ε-caprolactone)s containing 2, 5, and 10 mol % of propargyl groups have been prepared by ring-opening copolymerization of ε-caprolactone and the corresponding propargylated lactone. In parallel, a diazido derivative of the clinically used diethylenetriaminepentaacetic acid (DTPA)/Gd3+ complex has been synthesized. Finally, MRI-visible poly(ε-caprolactone)…
Mathematical logic and quantum finite state automata
2009
AbstractThis paper is a review of the connection between formulas of logic and quantum finite-state automata in respect to the language recognition and acceptance probability of quantum finite-state automata. As is well known, logic has had a great impact on classical computation, it is promising to study the relation between quantum finite-state automata and mathematical logic. After a brief introduction to the connection between classical computation and logic, the required background of the logic and quantum finite-state automata is provided and the results of the connection between quantum finite-state automata and logic are presented.
Electrochemical properties of crystallized dilithium squarate: insight from dispersion-corrected density functional theory.
2012
International audience; The stacking parameters, lattice constants, and bond lengths of solvent-free dilithium squarate (Li(2)C(4)O(4)) crystals were investigated using density functional theory with and without dispersion corrections. The shortcoming of the GGA (PBE) calculation with respect to the dispersive forces appears in the form of an overestimation of the unit cell volume up to 5.8%. The original Grimme method for dispersion corrections has been tested together with modified versions of this scheme by changing the damping function. One of the modified dispersion-corrected DFT schemes, related to a rescaling of van der Waals radii, provides significant improvements for the descripti…
Structure and physical properties of [mu-tris(1,4-bis(tetrazol-1-yl)butane-N4,N4 ')iron(II)] bis(hexafluorophosphate), a new Fe(II) spin-crossover co…
2004
[mu-Tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] bis(hexafluorophosphate), [Fe(btzb)(3)](PF6)(2), crystallizes in a three-dimensional 3-fold interlocked structure featuring a sharp two-step spin-crossover behavior. The spin conversion takes place between 164 and 182 K showing a discontinuity at about T-1/2 = 174 K and a hysteresis of about 4 K between T-1/2 and the low-spin state. The spin transition has been independently followed by magnetic susceptibility measurements, Fe-57-Mossbauer spectroscopy, and variable temperature far and midrange FIR spectroscopy. The title compound crystallizes in the trigonal space group P (3) over bar (No. 147) with a unit cell content of one formula u…
Correlation at low temperature I. Exponential decay
2003
Abstract The present paper generalizes the analysis in (Ann. H. Poincare 1 (2000) 59, Math. J. (AMS) 8 (1997) 123) of the correlations for a lattice system of real-valued spins at low temperature. The Gibbs measure is assumed to be generated by a fairly general Hamiltonian function with pair interaction. The novelty, as compared to [2,20], is that the single-site (self-) energies of the spins are not required to have only a single local minimum and no other extrema. Our derivation of exponential decay of correlations goes through the spectral analysis of a deformed Laplacian closely related to the Witten Laplacian studied in [2,20]. We prove that this Laplacian has a spectral gap above zero…
Aspects of chiral symmetry in QCD at T = 128 MeV
2023
We investigate several aspects of chiral symmetry in QCD at a temperature of $T = 128\,\text{MeV}$. The study is based on a $24\times 96^3$ lattice-QCD ensemble with O($a$)-improved Wilson quarks and physical up, down and strange quark masses. The pion quasiparticle turns out to be significantly lighter than the zero-temperature pion mass, even though the corresponding static correlation length is shorter. We perform a quantitative comparison of our findings to predictions of chiral perturbation theory. Among several order parameters for chiral symmetry restoration, we compute the difference of the vector- and axial-vector time-dependent correlators and find it to be reduced by a factor $\s…
Estimating the thermal photon production rate using lattice QCD
2021
We present results for the photon emission rate determined from the transverse channel vector correlator at fixed spatial momentum using two flavors of dynamical Wilson fermions at $T\sim$250 MeV. We estimate the transverse channel spectral function using the continuum extrapolated correlator by applying various fit ans\"atze with a smooth matching to the NLO perturbative result. We confront our estimate based on this channel with the latest results of our collaboration based on the difference of the transverse and longitudinal channels.
A variational method for spectral functions
2016
The Generalized Eigenvalue Problem (GEVP) has been used extensively in the past in order to reliably extract energy levels from time-dependent Euclidean correlators calculated in Lattice QCD. We propose a formulation of the GEVP in frequency space. Our approach consists of applying the model-independent Backus-Gilbert method to a set of Euclidean two-point functions with common quantum numbers. A GEVP analysis in frequency space is then applied to a matrix of estimators that allows us, among other things, to obtain particular linear combinations of the initial set of operators that optimally overlap to different local regions in frequency. We apply this method to lattice data from NRQCD. Th…
Heavy quarkonium: progress, puzzles, and opportunities
2011
A golden age for heavy quarkonium physics dawned a decade ago, initiated by the confluence of exciting advances in quantum chromodynamics (QCD) and an explosion of related experimental activity. The early years of this period were chronicled in the Quarkonium Working Group (QWG) CERN Yellow Report (YR) in 2004, which presented a comprehensive review of the status of the field at that time and provided specific recommendations for further progress. However, the broad spectrum of subsequent breakthroughs, surprises, and continuing puzzles could only be partially anticipated. Since the release of the YR, the BESII program concluded only to give birth to BESIII; the $B$-factories and CLEO-c flo…