Implementation and Validation of a Computationally Efficient DNS Solver for Reacting Flows in OpenFOAM

To meet future climate goals, the efficiency of combustion devices has to be increased. This requires a better understanding of the underlying physics. The simulation of turbulent flames is a challenge because of the multi-scale nature of combustion processes: relevant length scales span over five orders of magnitude and time scales over more than ten. Because of this, the direct numerical simulation (DNS) of turbulent flames is only possible on large supercomputers. A DNS solver for chemically reacting flows implemented in the open-source framework OpenFOAM is presented. The thermo-chemical library Cantera is used to compute detailed transport coefficients based on kinetic gas theory. The multi-scale nature of time scales, which are much lower for the combustion chemistry than for the flow, are bridged by an operator splitting approach, which employs the open-source solver Sundials to integrate chemical reaction rates. Because the direct simulation of turbulent flames has to be performed on supercomputers, special care has been taken to improve the computational performance. A tool was developed which generates highly optimized C++ source code for the computation of chemical reaction rates. Additionally, a load balancing approach specifically made for the computation of chemical reaction rates is employed. In total, these optimizations can reduce total simulation times by up to 70 %. The accuracy of the new solver is assessed from different canonical testcases: 2D and 3D Taylor-Green vortex simulations show that the solver can reach up to fourth order convergence rates and that results differ by less than 1 % when compared to spectral DNS codes. Molecular diffusion and chemical reaction rates are compared to solutions of 1D flames from Cantera, showing perfect agreement. The solver is used to simulate the Sydney/Sandia burner. The simulation is performed on one of Germany\u27s largest supercomputer on 28 800 CPU cores, employing 150 million cells and a chemical reaction mechanism with 19 species and about 200 reactions. Comparison with experimental data shows excellent agreement for time averaged and RMS values

“Green” Synthesis of Sucrose Octaacetate and Characterization of Its Physicochemical Properties and Antimicrobial Activity

Sucrose octaacetate (octa-O-acetylsucrose) has been synthesized by esterification of sucrose with acetic anhydride using ultrasound-assisted irradiation. This sucrose ester is a white, water-insoluble substance with a bitter taste. The FT-IR and NMR spectra confirmed acetylation and revealed the hydrophobic incorporation in sucrose molecule. Furthermore, the foamability, foam stability, emulsification and antimicrobial properties of octa-O-acetylsucrose were evaluated. Foams and 50 % (oil/water) model emulsions were prepared with 2 % (w/w) octa-O-acetylsucrose. The obtained results demonstrate the formation of emulsions and foams with high stability (50–70 %). The antimicrobial activity of octa-O-acetylsucrose was evaluated against seventeen microorganisms (Gram-positive and Gram-negative bacteria, yeasts, and fungi). Octa-O-acetylsucrose inhibited the growth of fungi Penicillium sp., Rhizopus sp. and Fusarium moniliforme at 5 mg cm–3, and yeasts Candida albicans at 1 mg cm–3. Inhibition against Gram-positive and Gram-negative bacteria was not observed. The obtained results demonstrate the potential applications of octa-O-acetylsucrose as a foaming agent, oil-in-water emulsion stabilizer, and antifungal substance in pharmaceutical and cosmetic preparations. This work is licensed under a Creative Commons Attribution 4.0 International License

ANTIMICROBIAL ACTIVITY OF LACTOBACILLUS PLANTARUM AGAINST PATHOGENIC AND FOOD SPOILAGE MICROORGANISMS: A REVIEW

One of the most important properties of probiotic bacteria is their antimicrobial activity against many species of microorganisms which could be useful to prevent food spoilage caused by certain sensitive bacteria and fungi as well as to control the speed of propagation of potentially pathogenic bacteria by probiotic application. Lactobacillus plantarum is considered one of the probiotic bacteria with broad-est spectrum of antibacterial activity which makes it useful in veterinary, human medicine and food industry. According to a number of studies Lactobacillus plantarum exerts inhibitory activity against ma¬ny Gram-positive and Gram-negative bacteria – Escherichia coli (including E. coli 0157:H7), Pseudomonas aeruginosa, Helicobacter pylori, Yersinia enterocolitica, Campylobacter jejuni, Lis-teria monocytogenes, Staphylococcus aureus, Klebsiella, Salmonella, Shigella, Bacillus, Clostridium, Enterococcus, Lactobacillus spp., etc. as well as a number of moulds and yeasts – Aspergillus, Fusa-rium, Mucor, Candida spp., etc. The main antibacterial compounds of Lactobacillus plantarum are the bacteriocins and organic acids whereas the antifungal compounds are the organic acids, hydroxy fatty acids and cyclic dipeptides. Because of the high antifungal activity of some L. plantarum strains against food spoilage microorganisms they can be used as effective biopreservatives in food industry. Also, some L. plantarum strains could be applied as supporting therapeutic agents in treatment of infections caused by the corresponding susceptible microorganisms

Stress Dependence of Exciton Relaxation Processes in Cu2O

A comprehensive study of the exciton relaxation processes in Cu2O has led to some surprises. We find that the ortho-para conversion rate becomes slower at high stress, and that the Auger nonradiative recombination rate increases with stress, with apparently no Auger recombination at zero stress. These results have important consequences for the pursuit of Bose-Einstein condensation of excitons in a harmonic potential.Comment: 10 figures, 1 tabl

New Symmetries in Crystals and Handed Structures

For over a century, the structure of materials has been described by a combination of rotations, rotation-inversions and translational symmetries. By recognizing the reversal of static structural rotations between clockwise and counterclockwise directions as a distinct symmetry operation, here we show that there are many more structural symmetries than are currently recognized in right- or left-handed handed helices, spirals, and in antidistorted structures composed equally of rotations of both handedness. For example, though a helix or spiral cannot possess conventional mirror or inversion symmetries, they can possess them in combination with the rotation reversal symmetry. Similarly, we show that many antidistorted perovskites possess twice the number of symmetry elements as conventionally identified. These new symmetries predict new forms for "roto" properties that relate to static rotations, such as rotoelectricity, piezorotation, and rotomagnetism. They also enable symmetry-based search for new phenomena, such as multiferroicity involving a coupling of spins, electric polarization and static rotations. This work is relevant to structure-property relationships in all material structures with static rotations such as minerals, polymers, proteins, and engineered structures.Comment: 15 Pages, 4 figures, 3 Tables; Fig. 2b has error

Ring-shaped spatial pattern of exciton luminescence formed due to the hot carrier transport in a locally photoexcited electron-hole bilayer

A consistent explanation of the formation of a ring-shaped pattern of exciton luminescence in GaAs/AlGaAs double quantum wells is suggested. The pattern consists of two concentric rings around the laser excitation spot. It is shown that the luminescence rings appear due to the in-layer transport of hot charge carriers at high photoexcitation intensity. Interestingly, one of two causes of this transport might involve self-organized criticality (SOC) that would be the first case of the SOC observation in semiconductor physics. We test this cause in a many-body numerical model by performing extensive molecular dynamics simulations. The results show good agreement with experiments. Moreover, the simulations have enabled us to identify the particular kinetic processes underlying the formation of each of these two luminescence rings.Comment: 14 pages, 16 figures. Final versio

Two-phonon coupling to the antiferromagnetic phase transition in multiferroic BiFeO3

A prominent band centered at around 1000-1300 cm-1 and associated with resonant enhancement of two-phonon Raman scattering is reported in multiferroic BiFeO3 thin films and single crystals. A strong anomaly in this band occurs at the antiferromagnetic Neel temperature. This band is composed of three peaks, assigned to 2A4, 2E8, and 2E9 Raman modes. While all three peaks were found to be sensitive to the antiferromagnetic phase transition, the 2E8 mode, in particular, nearly disappears at TN on heating, indicating a strong spin-two phonon coupling in BiFeO3.Comment: 12 pages with figure