Search results for "Stability."
showing 10 items of 3015 documents
Stability of FeVO4 under Pressure: An X-ray Diffraction and First-Principles Study
2018
The high-pressure behavior of the crystalline structure FeVO4 has been studied by means of X-ray diffraction using a diamond-anvil cell and first-principles calculations. The experiments were carried out up to a pressure of 12.3 GPa, until now the highest pressure reached to study an FeVO4 compound. High-pressure X-ray diffraction measurements show that the triclinic P1 (FeVO4-I) phase remains stable up to ≈3 GPa; then a first-order phase transition to a new monoclinic polymorph of FeVO4 (FeVO4-II′) with space group C2/m is observed, having an α-MnMoO4-type structure. A second first-order phase transition is observed around 5 GPa toward the monoclinic (P2/c) wolframite-type FeVO4-IV structu…
Pressure-Induced Transformations in PrVO4 and SmVO4 and Isolation of High-Pressure Metastable Phases
2013
Zircon-type PrVO4 and SmVO4 have been studied by high-pressure Raman spectroscopy up to 17 GPa. The occurrence of phase transitions has been detected when compression exceeds 6 GPa. The transformations are not reversible. Raman spectra of the high-pressure phases show similarities with those expected for a monazite-type phase in PrVO4 and a scheelite-type phase in SmVO4.The high-pressure phases have been also synthesized using a large-volume press and recovered at ambient conditions. X-ray diffraction measurements of the metastable products recovered after decompression confirms the monazite (PrVO4) and scheelite (SmVO4) structures of the high-pressure phases. Based upon optical properties …
Theoretical and experimental study of the structural stability ofTbPO4at high pressures
2010
We have performed a theoretical and experimental study of the structural stability of terbium phosphate at high pressures. Theoretical ab initio total-energy and lattice-dynamics calculations together with x-ray diffraction experiments have allowed us to completely characterize a phase transition at {approx}9.8 GPa from the zircon to the monazite structure. Furthermore, total-energy calculations have been performed to check the relative stability of 17 candidate structures at different pressures and allow us to propose the zircon {yields} monazite {yields} scheelite {yields} SrUO{sub 4}-type sequence of stable structures with increasing pressure. In this sequence, sixfold P coordination is …
High-pressure theoretical and experimental study of HgWO4
2011
HgWO 4 at ambient pressure is characterized using a combination of ab initio calculations, X-ray diffraction and Raman scattering measurements. The effect of low pressure and temperature on the structural stability is analysed. Extending our ab initio study to the range of higher pressures, a sequence of stable phases up to 30GPa is proposed. © 2011 Taylor & Francis.
The LIESST state of [Fe(pic)3]Cl2.EtOH – the superstructure under continuous irradiation
2005
The superstructure recently discovered in [Fe(pic)3]Cl2.EtOH at temperatures inside the step region of the high-spin–low-spin transition curve sheds new light on the anomalous transition behaviour in spin crossover compounds. The structure of the metastable LIESST state of [Fe(pic)3]Cl2.EtOH at 10 K has been measured. The decay has been followed by X-ray diffraction using a CCD camera in order to detect reflections of the superstructure building up during the decay. No signal above the noise of the CCD camera was observed, so that even diffuse scattering could not be detected. This finding is in agreement with correlation lengths of pair correlations of molecules in the HS and LS states bei…
Pattern formation in clouds via Turing instabilities
2020
Pattern formation in clouds is a well-known feature, which can be observed almost every day. However, the guiding processes for structure formation are mostly unknown, and also theoretical investigations of cloud patterns are quite rare. From many scientific disciplines the occurrence of patterns in non-equilibrium systems due to Turing instabilities is known, i.e. unstable modes grow and form spatial structures. In this study we investigate a generic cloud model for the possibility of Turing instabilities. For this purpose, the model is extended by diffusion terms. We can show that for some cloud models, i.e special cases of the generic model, no Turing instabilities are possible. However,…
From 2009 to 1929
2010
The current and still unfolding crisis of our economic system shows disturbing resemblances to the Great Depression in terms of magnitude, triggering mechanisms, and curative public interventions. This paper compares the experience, mechanisms, and consequences of these two crises in light of the analysis of Fisher, Keynes, and Minsky. This analysis proves very useful for understanding the triggering mechanisms of the current crisis, as well as its propagation mechanisms. It also addresses two dilemmas within the debate about the curative as well as preventive measures for getting out of the crisis and avoiding a new disaster: the dilemma of monetary activism and that of liquidity.
Triphenylmethyl and triphenylsilyl based molecular glasses for photonic applications
2015
Triphenylmethyl and triphenylsilyl structural fragments can be used to obtain glass forming, solution processable materials from polar chromophore molecules. Large number of compounds has been synthesized taking advantage of this approach, making it possible to identify some structure-property relations. Regarding the non-linear optical (NLO) properties of the given materials it is evident that triphenylmethyl groups help shielding unwanted NLO efficiency limiting dipolar interactions between polar chromophores in solid films. Chromophore stacking is still observed for compounds with large dipole momentum values. The glass transition temperatures of the compounds increase with the molecular…
Die kinetik der allendimerisation, ein beitrag zum mechanismus
1971
Zusammenfassung The reaction kinetics of the dimerization of some polyhalogenated allenes with the general formula Cl2CCCCIX (X = Cl, Br, C6H5, COOEt) and of tetrabromoallene was studied by an IR spectrophotometric method. The reaction was found to be of strictly second order kinetics. The activation parameters were determined and the experimental data and the influence of the substituents were discussed in terms of the accepted general theory of allene cycloaddition. All data are in agreement with a non-concerted two-step electrocyclic addition mechanism. Within the experimental limits no paramagnetic species like a diradical could be detected by the ESR-method during the dimerization re…
Weighted-Power p Nonlinear Subdivision Schemes
2012
In this paper we present and analyze a generalization of the Powerp subdivision schemes proposed in [3,12]. The Weighted-Powerp schemes are based on a harmonic weighted version of the Power<emp average considered in [12], and their development is motivated by the desire to generalize the nonlinear analysis in [3,5] to interpolatory subdivision schemes with higher than second order accuracy.