Li17Sb13S28: A New Lithium Ion Conductor and addition to the Phase Diagram Li2S–Sb2S3

Li₁₇Sb₁₃S₂₈ was synthesized by solid‐state reaction of stoichiometric amounts of anhydrous Li₂S and Sb₂S₃. The crystal structure of Li₁₇Sb₁₃S₂₈ was determined from dark‐red single crystals at room temperature. The title compound crystallizes in the monoclinic space group C2/m (no. 12) with a=12.765(2) Å, b=11.6195(8) Å, c=9.2564(9) Å, β=119.665(6)°, V=1193.0(2) ų, and Z=4 (data at 20 °C, lattice constants from powder diffraction). The crystal structure contains one cation site with a mixed occupation by Li and Sb, and one with an antimony split position. Antimony and sulfur form slightly distorted tetragonal bipyramidal [SbS₅E] units (E=free electron pair). Six of these units are arranged around a vacancy in the anion substructure. The lone electron pairs E of the antimony(III) cations are arranged around these vacancies. Thus, a variant of the rock salt structure type with ordered vacancies in the anionic substructure results. Impedance spectroscopic measurements of Li₁₇Sb₁₃S₂₈ show a specific conductivity of 2.9×10^?9 Ω^?1 cm^?1 at 323 K and of 7.9×10^?6 Ω^?1 cm^?1 at 563 K, the corresponding activation energy is E_A=0.4 eV below 403 K and E_A=0.6 eV above. Raman spectra are dominated by the Sb?S stretching modes of the [SbS₅] units at 315 and 341 cm^?1 at room temperature. Differential thermal analysis (DTA) measurements of Li₁₇Sb₁₃S₂₈ indicate peritectic melting at 854 K.     

Comparison of Combustion Models and Assessment of Their Applicability to the Simulation of Premixed Turbulent Combustion in IC-Engines

In order to simulate the turbulent combustion process occurring in spark-ignition (IC) engines, it is necessary to provide suitable and numerically economical models, the latter being particularly important in the application to industrial problems. Moreover, these models must deliver sufficiently accurate results for the unsteady operation of spark combustion engines, concerning variable geometries, temperatures, pressures and charge development in different configurations. In this work different turbulent combustion models for premixed hydrocarbon combustion are compared with respect to their ability to accurately predict the propagation of turbulent perfectly premixed flames. As a first configuration a cylinder of constant volume was studied. Transient calculations were used to simulate the propagation of the turbulent flame and to evaluate the resulting turbulent burning velocity. These calculations were performed for a perfect mixture of air and hydrocarbons at stoichiometric mixture and different initial conditions concerning pressure, temperature and turbulence intensity. As a second configuration a stationary turbulent bunsen-type flame with methane fuel was used to validate the turbulent combustion model of [Lindstedt and Vaos, Combust. Flame 116 (1999) 461] at different pressures. Calculated results were then compared to experimental data of [Kobayashi, Tamura, Maruta and Niioka. In: Proceedings of the 26th Symposium on Combustion, 1996, p. 389] and show excellent agreement for the turbulent burning velocity at several pressure levels using only a single set of model parameters.     

Correction to: Quasi-DNS Dataset of a Piloted Flame with Inhomogeneous Inlet Conditions

Flow, Turbulence and Combustion - The article Quasi-DNS Dataset of a Piloted Flame with Inhomogeneous Inlet Conditions written by Thorsten Zirwes, Feichi Zhang, Peter Habisreuther, Maximilian...     

Nucleus-nucleus collisions: Intrinsic motion with external correlations

A consistent treatment of the relative and intrinsic motion which goes beyond the mean-field approach allows to include the fluctuations of the time-dependent mean field for the intrinsic as well as for the relative motion. Starting with the v. Neumann equation for the total density matrix, we derive a modified equation for the intrinsic many-body density matrix. This equation is used to obtain the quantum kinetic equations for the one-body density matrix and the two-body correlator. In the time-dependent single-particle basis, the occupation numbers change in time due to a collision term originating from residual two-body interactions which account for equilibration, and due to the fluctuations of the external mean field. The relations to TDHF with collision term are discussed. Special attention is paid to the conditions for a diabatic evolution of the single-particle states and to finite size effects which play an important role to make two-body collisions operative in finite nuclei.     

Validation of an Eulerian Stochastic Fields Solver Coupled with Reaction–Diffusion Manifolds on LES of Methane/Air Non-premixed Flames

Flow, Turbulence and Combustion - The Eulerian stochastic fields (ESF) combustion model can be used in LES in order to evaluate the filtered density function to describe the process of...