Lagrangian and Eulerian velocity structure functions in hydrodynamic turbulence

The Lagrangian and Eulerian transversal velocity structure functions of fully developed fluid turbulence are found basing on the Navier-Stokes equation. The structure functions are shown to obey the scaling relations inside the inertial range. The scaling exponents are calculated analytically without using dimensional considerations. The obtained values are in a very good agreement with recent numerical and experimental data.Comment: 4 pages, 1 figur

Giant molecular clouds as regions of particle acceleration

One of the most interesting results of investigations carried out on the satellites SAS-II and COS-B is the discovery of unidentified discrete gamma sources. Possibly a considerable part of them may well be giant molecular clouds. Gamma emission from clouds is caused by the processes with participation of cosmic rays. The estimation of the cosmic ray density in clouds has shown that for the energy E approx. = I GeV their density can 10 to 1000 times exceed the one in intercloud space. We have made an attempt to determine the mechanism which could lead to the increase in the cosmic ray density in clouds

ReaxFF-lg: Correction of the ReaxFF Reactive Force Field for London Dispersion, with Applications to the Equations of State for Energetic Materials

The practical levels of density functional theory (DFT) for solids (LDA, PBE, PW91, B3LYP) are well-known not to account adequately for the London dispersion (van der Waals attraction) so important in molecular solids, leading to equilibrium volumes for molecular crystals ∼10-15% too high. The ReaxFF reactive force field is based on fitting such DFT calculations and suffers from the same problem. In the paper we extend ReaxFF by adding a London dispersion term with a form such that it has low gradients (lg) at valence distances leaving the already optimized valence interactions intact but behaves as 1/R^6 for large distances. We derive here these lg corrections to ReaxFF based on the experimental crystal structure data for graphite, polyethylene (PE), carbon dioxide, and nitrogen and for energetic materials: hexahydro-1,3,5-trinitro- 1,3,5-s-triazine (RDX), pentaerythritol tetranitrate (PETN), 1,3,5-triamino-2,4,6-trinitrobenzene (TATB), and nitromethane (NM). After this dispersion correction the average error of predicted equilibrium volumes decreases from 18.5 to 4.2% for the above systems. We find that the calculated crystal structures and equation of state with ReaxFF-lg are in good agreement with experimental results. In particular, we examined the phase transition between α-RDX and γ-RDX, finding that ReaxFF-lg leads to excellent agreement for both the pressure and volume of this transition occurring at ∼4.8 GPa and ∼2.18 g/cm^3 density from ReaxFF-lg vs 3.9 GPa and ∼2.21 g/cm^3 from experiment. We expect ReaxFF-lg to improve the descriptions of the phase diagrams for other energetic materials