Search results for "Dynamic"
showing 10 items of 12329 documents
Characterization of theTiSiO4structure and its pressure-induced phase transformations: Density functional theory study
2009
Theoretical investigations concerning the possible titanium silicate polymorphs have been performed using density functional theory at B3LYP level. Total-energy calculations and geometry optimizations have been carried out for all phases involved. The following sequence of pressure-driven structural transitions has been found: ${\text{CrVO}}_{4}$-type, $Cmcm$ (in parenthesis the transition pressure), $\ensuremath{\rightarrow}$ zircon-type, $I{4}_{1}/amd$ (0.8 GPa), $\ensuremath{\rightarrow}$ scheelite-type, $I{4}_{1}/a$ (3.8 GPa). At higher pressure the last phase is found to be stable at least up to 25 GPa. The equation of state of the different polymorphs is also reported. We found that t…
Empirical molecular dynamics study of structural, elastic and thermodynamic properties of zinc-blende-like SiGe compound
2004
Abstract A three-body potential coupled with a molecular-dynamics method is used to calculate structural and thermodynamic properties of the hypothetical IV–IV compound SiGe in zinc-blende phase. A good agreement between the calculated and theoretical values of the lattice constant, the bulk modulus and its derivative, and the cohesive energy is obtained. We also compute the elastic constants, Debye temperature, lattice thermal expansion, and the specific heat. We investigate also, the structural properties of SiGe when rock-salt phase appears.
Influence of the Richardson number on EM force driven flow structures in square-shaped crucible
2014
Abstract This study is devoted to the experimental investigation of the turbulent melt motion in a square crucible where the flow is created by Lorentz forces generated by an external AC magnetic field. As a strong vertical thermal gradient is present in melt during a directional solidification process, a stratification effect takes place and motion in the vertical direction is damped by buoyancy forces. Such a situation arises if density of fluid layers decreases with height. Experimental velocity and temperature measurements are conducted. Transient effects, like collapse of stratification, are observed experimentally. The significance of stratification in the directional solidification m…
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 …
Innovating business processes in public administrations: towards a systemic approach
2020
PurposeThe purpose of this paper is to study the credit collection process in public administrations in order to develop a conceptual model which goes beyond the traditional logic of linearity, adopting system thinking approaches.Design/methodology/approachThis study analyses the case of an Italian local government-owned enterprise. Data collection through semi-structured interviews and document analysis has enabled the development of propositions, the identification of systemic variables, and the development of an explanatory modeling process based on the system dynamics approach.FindingsThis paper shows that public administrations can effectively involve external actors, especially citize…
Enthalpies of solution and dilution of butanol and pentanol in dodecyltrimethylammonium bromide micellar solutions
1987
The enthalpies of solution and of dilution of 1-butanol and 1-pentanol were measured in micellar solutions of dodecyltrimethylammonium bromide by systematically changing the concentration of alcohols and surfactant. The enthalpies of solution at infinite dilution of alcohols at each surfactant concentration were evaluated from a linear plot. This quantity increases with surfactant concentration (up to 0.8m) with a curvature which depends on the alcohol alkyl chain length. The difficulties arising for a quantitative treatment of both the enthalpies of dilution and of solution at finite alcohol concentrations are discussed. The dependence on the surfactant concentration of the standard enthal…
Theoretical study of a Bénard Marangoni problem
2011
[EN] In this paper we prove the existence of strong solutions for the stationary Benard-Marangoni problem in a finite domain flat on the top, bifurcating from the basic heat conductive state. The Benard-Marangoni problem is a physical phenomenon of thermal convection in which the effects of buoyancy and surface tension are taken into account. This problem is modelled with a system of partial differential equations of the type Navier-Stokes and heat equation. The boundary conditions include crossed boundary conditions involving tangential derivatives of the temperature and normal derivatives of the velocity field. To define tangential derivatives at the boundary, intended in the trace sense,…
Chemical Identification at the Solid–Liquid Interface
2017
Solid-liquid interfaces are decisive for a wide range of natural and technological processes, including fields as diverse as geochemistry and environmental science as well as catalysis and corrosion protection. Dynamic atomic force microscopy nowadays provides unparalleled structural insights into solid-liquid interfaces, including the solvation structure above the surface. In contrast, chemical identification of individual interfacial atoms still remains a considerable challenge. So far, an identification of chemically alike atoms in a surface alloy has only been demonstrated under well-controlled ultrahigh vacuum conditions. In liquids, the recent advent of three-dimensional force mapping…
Effect of two novel bio-based rejuvenators on the performance of 50% RAP mixes - a statistical study on the complex modulus of asphalt binders and as…
2019
An experimental study was conducted to evaluate the effectiveness of two bio-additives as rejuvenators on the properties of asphalt mixtures containing 50% RAP and their binder constituents containing 37% RAP binder. Before mixing, the rejuvenators were blended with fresh bitumen and the extracted and recovered RAP bitumen, and changes in the rheological properties of the binders were assessed using performance grading (PG) criteria. The results showed that both rejuvenators could improve the low-temperature performance of the aged RAP binder and restore its low-temperature properties. Master curves for the unaged, RTFO-aged, and PAV aged blends were constructed using both the Christensen-A…
Drivers of peat accumulation rate in a raised bog: impact of drainage, climate, and local vegetation composition
2017
We used variation partitioning to assess the relative importance of drainage, climate and local vegetation composition for the development of a raised bog. As a case study we selected Teici (Teici) Bog in Latvia (north-east Europe). Explanatory variables together explained 74 % of the variation in peat accumulation and only the residue of 26 % remained unexplained. Our study showed that the local vegetation composition and dominant Sphagnum species significantly influence peat accumulation rates. The results of linear models revealed that, under natural conditions, minor drainage and even strong drainage of the peat is associated with a positive growth balance of the system. However, draina…