Search results for "fusion"
showing 10 items of 4513 documents
Contours of diffusion of electronic data interchange in Finland
1998
Abstract Electronic Data Interchange (EDI)—despite its basic simplicity—forms a complex and inter-organizational innovation. This necessitates multiple points of observation and the use of multiple theoretical frames in accounting EDI diffusion processes. Based on field study data we deliver a multi-level account of EDI diffusion in Finland. The study clarifies how factors located on three levels of analysis can be applied to understand the unfolding of EDI adoption in different organizational constellations, here called diffusion patterns. We examine three families of diffusion patterns: local dyadic patterns; industry-wide networks; and national initiatives. Overall we discern five distin…
Semi-empirical simulations of F-center diffusion in KCl crystals
1997
Abstract The semi-empirical method and 224 atom quantum clusters were used for calculating the activation energy for diffusion of cation and anion vacancies and F-centers in KCl crystals. The relevant activation energies of 1.19 eV, 1.44 eV and 1.64 eV, respectively agree well with the experimental data.
Analysis of the Diffusion-Induced Stress Effect on the Oxidation in Finely Divided Vanadium Ferrites
1999
L'oxydation isotherme des cations fer(II), vanadium(II) et vanadium(III) pour les ferrites spinelles finement divises, lesquels sont oxydes en phases deficitaires en cations, a ete etudiee par thermogravimetrie. La faible temperature de cinetique d'oxydation de chaque cation oxydable a ete expliquee en considerant que l'oxydation genere des contraintes qui en modifie la cinetique ou les cations a la surface sont plus oxydes que dans le volume. Pour cela, il at ete considere que le coefficient de diffusion chimique est donne par la relation D = D 0 exp [-(E' a + pV a )/RT] ou D 0 represente le facteur pre-exponentiel, E' a l'energie d'activation, V a le volume d'activation et p la pression i…
Diffusion of small molecules in edible films: Effect of water and interactions between diffusant and biopolymer
2008
Mass transfers of various molecules in multiphasic food products lead to quality modification and thus require the use of edible films or coatings in-between the foodstuff. Consequently, it is important to assess the barrier properties and efficiencies of edible films as well as to determine the diffusivities of the migrants. Translational diffusion of a reference molecule such as fluorescein, determined by the fluorescence recovery after photobleaching (FRAP) method, displays a threshold of a critical water content inducing an increase of the molecular mobility, and demonstrates that multiple populations of a single molecular specie can be involved in different diffusion kinetics. Further …
Kinetics of dimer F2 type center annealing in MgF2 crystals
2018
Authors are greatly indebted to V. Lisitsyn, A. Ch. Lushchik and R.Vila for stimulating discussions. This work has been carried out within the framework of the EUROfusion Consortium and has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement number 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. The calculations were performed using facilities of the Stuttgart Supercomputer Center (project DEFTD 12939).
The environmental product declaration EPD with a particular application to a solar thermal collector
2003
The principles of sustainable development and of Integrated Product Policy are applied in new voluntary regulations, which have been internationally agree. The aim is to grant transparency of environmental information and to promote the diffusion of environmentally friendly products. A new tool under study is the Environmental Product Declaration (EPD), a technical paper annexed to products that synthesises their energy and environmental performances. This paper points out the reasons for developing EPD for the energy sector, and puts special focus upon renewable energy systems, products whose environmental performances are often not clearly defined. We describe how results of a LCA upon a …
Thermal effects during adsorption of n-butane on a slilicalite-1 membrane. A non-equilibrium molecular dynamics study
2007
Abstract Non-equilibrium molecular dynamic (NEMD) simulations have been used to study the kinetics of adsorption of n-butane molecules in a silicalite membrane. We have chosen this simple well-known process to demonstrate that the process is characterized by two stages, both non-isothermal. In the first stage the large chemical driving force leads to a rapid uptake of n-butane in all the membrane and a simultaneous increase in the membrane temperature, explained by the large enthalpy of adsorption, Δ H = − 61.6 kJ / mol butane. A diffusion coefficient for transport across the external surface layer is calculated from the relaxation time; a value of 3.4 × 10 −9 m 2 / s is found. During the a…
Thermal Diffusion and Partial Molar Enthalpy Variations of n-Butane in Silicalite-1
2008
International audience; We report for the first time the heat of transfer and the Soret coefficient for n-butane in silicalite-1. The heat of transfer was typically 10 kJ/mol. The Soret coefficient was typically 0.006 K−1 at 360 K. Both varied with the temperature and the concentration. The thermal conductivity of the crystal with butane adsorbed was 1.46 ±0.07 W/Km. Literature values of the isosteric enthalpy of adsorption, the concentration at saturation, and the diffusion coefficients were reproduced. Non-equilibrium molecular dynamics simulations were used to find these results, and a modified heat exchange algorithm, Soft-HEX, was developed for the purpose. Enthalpies of butane were al…
Colossal barocaloric effects in the complex hydride Li$_{2}$B$_{12}$H$_{12}$
2021
Traditional refrigeration technologies based on compression cycles of greenhouse gases pose serious threats to the environment and cannot be downscaled to electronic device dimensions. Solid-state cooling exploits the thermal response of caloric materials to external fields and represents a promising alternative to current refrigeration methods. However, most of the caloric materials known to date present relatively small adiabatic temperature changes ($|\Delta T| \sim 1$ K) and/or limiting irreversibility issues resulting from significant phase-transition hysteresis. Here, we predict the existence of colossal barocaloric effects (isothermal entropy changes of $|\Delta S| \sim 100$ JK$^{-1}…
Magic numbers, excitation levels, and other properties of small neutral math clusters (N < 50)
2006
The ground-state energies and the radial and pair distribution functions of neutral math clusters are systematically calculated by the diffusion Monte Carlo method in steps of one math atom from 3 to 50 atoms. In addition the chemical potential and the low-lying excitation levels of each cluster are determined with high precision. These calculations reveal that the “magic numbers” observed in experimental math cluster size distributions, measured for free jet gas expansions by nondestructive matter-wave diffraction, are not caused by enhanced stabilities. Instead they are explained in terms of an enhanced growth due to sharp peaks in the equilibrium concentrations in the early part of the e…