Search results for "init"
showing 10 items of 6629 documents
High-pressure structural study of the scheelite tungstatesCaWO4andSrWO4
2005
Angle-dispersive x-ray-diffraction and x-ray-absorption near-edge structure measurements have been performed on ${\mathrm{CaWO}}_{4}$ and ${\mathrm{SrWO}}_{4}$ up to pressures of approximately 20 GPa. Both materials display similar behavior in the range of pressures investigated in our experiments. As in the previously reported case of ${\mathrm{CaWO}}_{4}$, under hydrostatic conditions ${\mathrm{SrWO}}_{4}$ undergoes a pressure-induced scheelite-to-fergusonite transition around 10 GPa. Our experimental results are compared to those found in the literature and are further supported by ab initio total-energy calculations, from which we also predict the instability at larger pressures of the …
High-pressure x-ray diffraction andab initiostudy ofNi2Mo3N,Pd2Mo3N,Pt2Mo3N,Co3Mo3N, andFe3Mo3N: Two families of ultra-incompressible bimetallic inte…
2010
We have studied by means of high-pressure x-ray diffraction the structural stability of ${\text{Ni}}_{2}{\text{Mo}}_{3}\text{N}$, ${\text{Co}}_{3}{\text{Mo}}_{3}\text{N}$, and ${\text{Fe}}_{3}{\text{Mo}}_{3}\text{N}$. We also report ab initio computing modeling of the high-pressure properties of these compounds, ${\text{Pd}}_{2}{\text{Mo}}_{3}\text{N}$ and ${\text{Pt}}_{2}{\text{Mo}}_{3}\text{N}$. We have found that the nitrides remain stable in the ambient-pressure cubic structure at least up to 50 GPa and determined their equation of state. All of them have a bulk modulus larger than 300 GPa. Single-crystal elastic constants have been calculated in order to quantify the stiffness of the i…
Lattice dynamics of wurtzite and rocksalt AlN under high pressure: Effect of compression on the crystal anisotropy of wurtzite-type semiconductors
2008
Raman spectra of aluminum nitride (AlN) under pressure have been measured up to $25\phantom{\rule{0.3em}{0ex}}\mathrm{GPa}$, i.e., beyond the onset of the wurtzite-to-rocksalt phase transition around $20\phantom{\rule{0.3em}{0ex}}\mathrm{GPa}$. The experimental pressure coefficients for all the Raman-active modes of the wurtzite phase are reported and compared to those obtained from ab initio lattice dynamical calculations, as well as to previous experimental and theoretical results. The pressure coefficients of all the Raman-active modes in wurtzite-type semiconductors (AlN, GaN, InN, ZnO, and BeO), as well as the relatively low bulk modulus and phase transition pressure in wurtzite AlN, a…
Large eddy simulation model for wind-driven sea circulation in coastal areas
2013
Abstract. In the present paper a state-of-the-art large eddy simulation model (LES-COAST), suited for the analysis of water circulation and mixing in closed or semi-closed areas, is presented and applied to the study of the hydrodynamic characteristics of the Muggia bay, the industrial harbor of the city of Trieste, Italy. The model solves the non-hydrostatic, unsteady Navier–Stokes equations, under the Boussinesq approximation for temperature and salinity buoyancy effects, using a novel, two-eddy viscosity Smagorinsky model for the closure of the subgrid-scale momentum fluxes. The model employs: a simple and effective technique to take into account wind-stress inhomogeneity related to the …
Business Modelling. Languages and Tools
2004
The paper provides an overview of business modelling techniques — both at language and tool level. The basic elements of some most popular business modelling languages are briefly outlined, including the GRAPES-BM language developed by IMCS, University of Latvia. The paper presents also the basic principles, how metamodel based generic modelling techniques can be used for supporting several modelling notations simultaneously.
Theoretical study of the low‐lying states of trans‐1,3‐butadiene
1992
We present extensive ab initio calculations on the low‐lying electronic states of trans‐1,3‐butadiene within the multireference configuration interaction (MRCI) framework by selecting the configurations with a perturbative criterion. The X 1Ag ground state and 1 3Bu, 1 3Ag, 2 1Ag, and 1 1Bu valence excited states have been calculated at a fixed geometry. The results obtained are in good agreement with previous experimental and calculated values, and could help to understand polyene spectroscopy, photochemistry, and photophysics. The advantages of a MRCI method where the most important contributions to the total MRCI wave function, perturbatively selected, are treated variationally, and the …
Use of a logistic model to assess spoilage by Byssochlamys fulva in clarified apple juice
2010
Abstract The percentage P (%) of spoiled bottles (n = 40) of clarified apple juice due to Byssochlamys fulva, was modeled by using a logistic model: P = P max 1 + exp ( k ( τ − t ) ) where Pmax (%) the maximum percentage of spoiled bottles, k (h− 1) a slope parameter and τ (h) the time for P = Pmax/2. Bottles of pasteurized apple juice were inoculated with B. fulva IOC 4518 ascospores for low and high initial loads, 4.8 ± 2.3 ascospores/100 mL and 19.3 ± 4.6 ascospores/100 mL respectively and incubated at 21 °C and 30 °C. Pmax was not significantly different from 100% except for a low initial load at 21 °C. Model parameters were estimated with a good accuracy, RMSE in the range 3.89–7.50. T…
MILES extended: Stellar population synthesis models from the optical to the infrared
2016
We present the first single-burst stellar population models which covers the optical and the infrared wavelength range between 3500 and 50000 Angstrom and which are exclusively based on empirical stellar spectra. To obtain these joint models, we combined the extended MILES models in the optical with our new infrared models that are based on the IRTF (Infrared Telescope Facility) library. The latter are available only for a limited range in terms of both age and metallicity. Our combined single-burst stellar population models were calculated for ages larger than 1 Gyr, for metallicities between [Fe/H] = -0.40 and 0.26, for initial mass functions of various types and slopes, and on the basis …
Low zone tolerance induced by systemic application of allergens inhibits TC1-mediated skin inflammation
2005
Background The induction of tolerance may be a promising target of strategies aimed at preventing harmful allergic diseases. Low zone tolerance (LZT), induced by epicutaneous application of low doses of contact allergens, inhibits the development of T C 1-mediated contact hypersensitivity (CHS). Objective We evaluated the effect of systemic (oral, intravenous) administration of low amounts of haptens on specific immune reactions and tolerance induction. Methods By using the mouse model of LZT, we analyzed immune reactions in vivo (skin inflammation) and T-cell responses in vitro after oral, intravenous, or epicutaneous application of low amounts of the contact allergen 2,4,6-trinitro-1-chlo…
Human dendritic cells transfected with allergen-DNA stimulate specific immunoglobulin G4 but not specific immunoglobulin E production of autologous B…
2007
Atopic/allergic diseases are characterized by T helper 2 (Th2)-dominated immune responses resulting in immunoglobulin E (IgE) production. DNA-based immunotherapies have been shown to shift the immune response towards Th1 in animal models. In further studies we showed that human dendritic cells (DC) transfected with allergen-DNA are able to stimulate autologous CD4(+) T cells from atopic individuals to produce Th1 instead of Th2 cytokines and to activate interferon-gamma (IFN-gamma)-producing CD8(+) T cells. The aim of this study was to analyse whether DC transfected with allergen-DNA are also able to influence immunoglobulin production of B cells from atopic donors. For this purpose, human …