Search results for "Stable phase"
showing 6 items of 6 documents
Nucleation and cavitation in parahydrogen
2012
We have used a density functional approach to investigate thermal homogeneous nucleation and cavitation in parahydrogen. The effect of electrons as seeds of heterogeneous cavitation in liquid parahydrogen is also discussed within the capillary model. (C) 2011 Elsevier B.V. All rights reserved.
Ab Initio Structure Determination of Vaterite by Automated Electron Diffraction
2012
tion that is fundamental for understanding material properties. Still, a number of compounds have eluded such kinds of analysis because they are nanocrystalline, highly disordered, with strong pseudosymmetries or available only in small amounts in polyphasic or polymorphic systems. These materials are crystallographically intractable with conventional Xray or synchrotron radiation diffraction techniques. Single nanoparticles can be visualized by high-resolution transmission electron microscopy (HR-TEM) up to sub�ngstrom resolution, [2] but obtaining 3D information is still a difficult task, especially for highly beam-sensitive materials and crystal structures with long cell parameters. Elec…
MAGEMin 1.0.0
2022
MAGEMin is a Gibbs energy minimization solver package, which computes the thermodynamically most stable assemblage for a given bulk rock composition and pressure/temperature condition. It also returns parameters such as melt fraction or density, which can be combined with geodynamic/petrological tools to simulate, for example, the evolving chemistry of a crystallising melt. MAGEMin is written as a parallel C library and uses a combination of linear programming, extended Partitioning Gibbs free Energy and gradient-based local minimization to compute the most stable mineral assemblage. In this, it differs from exisisting approaches which makes it particularly suitable to utilize modern multic…
MAGEMin 1.0.0
2022
MAGEMin is a Gibbs energy minimization solver package, which computes the thermodynamically most stable assemblage for a given bulk rock composition and pressure/temperature condition. It also returns parameters such as melt fraction or density, which can be combined with geodynamic/petrological tools to simulate, for example, the evolving chemistry of a crystallising melt. MAGEMin is written as a parallel C library and uses a combination of linear programming, extended Partitioning Gibbs free Energy and gradient-based local minimization to compute the most stable mineral assemblage. In this, it differs from exisisting approaches which makes it particularly suitable to utilize modern multic…
Co-precipitation synthesis of neodymium-doped yttrium aluminium oxides nanopowders: Quantitative phase investigation as a function of joint isotherma…
2007
Abstract Neodymium-doped yttrium aluminium nanopowders with nominal Nd:Y:Al ratio equal to X:3–X:5 (where X = 0, 0.006, 0.012, 0.024, 0.048, 0.081, 0.096, 0.171, 0.192, 0.384, 0.540 and 0.720) were prepared by the co-precipitation method and subjected to five cumulative stages of isothermal treatment in the temperature range from 900 to 1050 °C. The phase evolution of the oxides were investigated quantitatively by the X-ray powder diffraction approach using the Rietveld method of analysis. An almost single phase cubic garnet structure was attained at temperatures as low as 900 °C for specimens with neodymium loading less than ca. 6 at.% with respect to total (Nd + Y) atoms. Isothermal treat…
Stochastic thermodynamics for active matter
2016
The theoretical understanding of active matter, which is driven out of equilibrium by directed motion, is still fragmental and model oriented. Stochastic thermodynamics, on the other hand, is a comprehensive theoretical framework for driven systems that allows to define fluctuating work and heat. We apply these definitions to active matter, assuming that dissipation can be modelled by effective non-conservative forces. We show that, through the work, conjugate extensive and intensive observables can be defined even in non-equilibrium steady states lacking a free energy. As an illustration, we derive the expressions for the pressure and interfacial tension of active Brownian particles. The l…