We use computer simulations to investigate the effect of salt on homogeneous ice nucleation. The melting point of the employed solution model was obtained both by direct coexistence simulations and by thermodynamic integration from previous calculations of the water chemical potential. Using a seeding approach, in which we simulate ice seeds embedded in a supercooled aqueous solution, we compute the nucleation rate as a function of temperature for a 1.85 NaCl mol per water kilogram solution at 1 bar. To improve the accuracy and reliability of our calculations, we combine seeding with the direct computation of the ice-solution interfacial free energy at coexistence using the Mold Integration method. We compare the results with previous simulation work on pure water to understand the effect caused by the solute. The model captures the experimental trend that the nucleation rate at a given supercooling decreases when adding salt. Despite the fact that the thermodynamic driving force for ice nucleation is higher for salty water for a given supercooling, the nucleation rate slows down with salt due to a significant increase of the ice-fluid interfacial free energy. The salty water model predicts an ice nucleation rate that is in good agreement with experimental measurements, bringing confidence in the predictive ability of the model. We expect that the combination of state-of-the-art simulation methods here employed to study ice nucleation from solution will be of much use in forthcoming numerical investigations of crystallization in mixtures.
Platelets of strontium hexaferrite (SrFe 12 O 19 , SFO), up to several micrometers in width, and tens of nanometers thick have been synthesized by a hydrothermal method. They have been studied by a combination of structural and magnetic techniques, with emphasis on Mössbauer spectroscopy and X-ray absorption based-measurements including spectroscopy and microscopy on the iron-L edges and the oxygen-K edge, allowing us to establish the differences and similarities between our synthesized nanostructures and commercial powders. The Mössbauer spectra reveal a greater contribution of iron tetrahedral sites in platelets in comparison to pure bulk material. For reference, high-resolution absorption and dichroic spectra have also been measured both from the platelets and from pure bulk material. The O-K edge has been reproduced by density functional theory calculations. Out-of-plane domains were observed with 180° domain walls less than 20 nm width, in good agreement with micromagnetic simulations.
Pure water can be substantially supercooled below the melting temperature without transforming into ice. The achievable supercooling can be enhanced by adding solutes or by applying hydrostatic pressure. Avoiding ice formation is of great importance in the cryopreservation of food or biological samples. In this Letter, we investigate the similarity between the effects of pressure and salt on ice formation using a combination of state-of-the-art simulation techniques. We find that both hinder ice formation by increasing the energetic cost of creating the ice-fluid interface. Moreover, we examine the widely accepted proposal that the ice nucleation rate for different pressures and solute concentrations can be mapped through the activity of water [ Koop , L. ; Tsias , P. Nature , 2000 , 406 , 611 ]. We show that such a proposal is not consistent with the nucleation rates predicted in our simulations because it does not include all parameters affecting ice nucleation. Therefore, even though salt and pressure have a qualitatively similar effect on ice formation, they cannot be quantitatively mapped onto one another.
We demonstrate the preparation of ultrathin Fe-rich nickel ferrite (NFO) islands on a metal substrate. Their nucleation and growth are followed in situ by low-energy electron microscopy (LEEM). A comprehensive characterization is performed combining LEEM for structural characterization and PEEM (PhotoEmission Electron Microscopy) with synchrotron radiation for chemical and magnetic analysis via X-ray Absorption Spectroscopy and X-ray Magnetic Circular Dichroism (XAS-PEEM and XMCD-PEEM, respectively). The growth by oxygen-assisted molecular beam epitaxy takes place in two stages. First, islands with the rocksalt structure nucleate and grow until they completely cover the substrate surface. Later three-dimensional islands of spinel phase grow on top of the wetting layer. Only the spinel islands show ferromagnetic contrast, with the same domains being observed in the Fe and Ni XMCD images. The estimated magnetic moments of Fe and Ni close to the islands surface indicate a possible role of the bi-phase reconstruction. A significant out-of-plane magnetization component was detected by means of XMCD-PEEM vector maps.
We show that it is possible to tune the Néel temperature of nickel(II)-cobalt(II) oxide films by changing the Ni to Co ratio. We grow single crystalline micrometric triangular islands with tens of nanometers thickness on a Ru(0001) substrate using high temperature oxygen-assisted molecular beam epitaxy. Composition is controlled by adjusting the deposition rates of Co and Ni. The morphology, shape, crystal structure and composition are determined by low-energy electron microscopy and diffraction, and synchrotron-based x-ray absorption spectromicroscopy. The antiferromagnetic order is observed by x-ray magnetic linear dichroism. Antiferromagnetic domains up to micrometer width are observed.
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