Towards routine refinement of hydrogenous materials by neutron powder diffraction

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Neutron powder diffraction:New opportunities in hydrogen location in molecular and materials structure

The potential of neutron powder diffraction in the location of hydrogen atoms in molecular materials and inorganic-molecular complexes is reviewed. Advances in instrumentation and data collection techniques that have made this field accessible are reviewed, along with a wide range of applications carried out by our collaboration investigating functional materials, hydrogen-containing minerals and molecular compounds. Some of the limitations in this area, particularly for molecular systems, are also addressed

Dissipative Future Universe without Big Rip

The present study deals with dissipative future universe without big rip in context of Eckart formalism. The generalized chaplygin gas, characterized by equation of state $p=-\frac{A}{\rho^\frac{1}{\alpha}}$, has been considered as a model for dark energy due to its dark-energy-like evolution at late time. It is demonstrated that, if the cosmic dark energy behaves like a fluid with equation of state $p=\omega\rho$; $\omega < -1$, as well as chaplygin gas simultaneously then the big rip problem does not arises and the scale factor is found to be regular for all time.Comment: 6 pages, 2 figures, To appear in Int. J. Theor. Phy

How does Inflation Depend Upon the Nature of Fluids Filling Up the Universe in Brane World Scenario

By constructing different parameters which are able to give us the information about our universe during inflation,(specially at the start and the end of the inflationary universe) a brief idea of brane world inflation is given in this work. What will be the size of the universe at the end of inflation,i.e.,how many times will it grow than today's size is been speculated and analysed thereafter. Different kinds of fluids are taken to be the matter inside the brane. It is observed that in the case of highly positive pressure grower gas like polytropic,the size of the universe at the end of inflation is comparitively smaller. Whereas for negative pressure creators (like chaplygin gas) this size is much bigger. Except thse two cases, inflation has been studied for barotropic fluid and linear redshift parametrization $\omega(z) = \omega_{0} + \omega_{1} z$ too. For them the size of the universe after inflation is much more high. We also have seen that this size does not depend upon the potential energy at the end of the inflation. On the contrary, there is a high impact of the initial potential energy upon the size of inflation.Comment: 20 page

Constraints on the cosmic expansion history from GWTC–3

We use 47 gravitational wave sources from the Third LIGO–Virgo–Kamioka Gravitational Wave Detector Gravitational Wave Transient Catalog (GWTC–3) to estimate the Hubble parameter H(z), including its current value, the Hubble constant H0. Each gravitational wave (GW) signal provides the luminosity distance to the source, and we estimate the corresponding redshift using two methods: the redshifted masses and a galaxy catalog. Using the binary black hole (BBH) redshifted masses, we simultaneously infer the source mass distribution and H(z). The source mass distribution displays a peak around 34 M⊙, followed by a drop-off. Assuming this mass scale does not evolve with the redshift results in a H(z) measurement, yielding ${H}_{0}={68}_{-8}^{+12}\,\mathrm{km}\ \,\ {{\rm{s}}}^{-1}\,{\mathrm{Mpc}}^{-1}$ (68% credible interval) when combined with the H0 measurement from GW170817 and its electromagnetic counterpart. This represents an improvement of 17% with respect to the H0 estimate from GWTC–1. The second method associates each GW event with its probable host galaxy in the catalog GLADE+, statistically marginalizing over the redshifts of each event's potential hosts. Assuming a fixed BBH population, we estimate a value of ${H}_{0}={68}_{-6}^{+8}\,\mathrm{km}\ \,\ {{\rm{s}}}^{-1}\,{\mathrm{Mpc}}^{-1}$ with the galaxy catalog method, an improvement of 42% with respect to our GWTC–1 result and 20% with respect to recent H0 studies using GWTC–2 events. However, we show that this result is strongly impacted by assumptions about the BBH source mass distribution; the only event which is not strongly impacted by such assumptions (and is thus informative about H0) is the well-localized event GW190814

Neutron powder diffraction in materials with incoherent scattering: an illustration of Rietveld refinement quality from nondeuterated gypsum

The power of the state-of-the-art neutron powder diffractometer suite at the Institut Laue-Langevin for investigating the structure of nondeuterated materials is presented using gypsum, CaSO4·2H2O, as a reference material. It is shown that flexible modern neutron powder diffraction instruments at reactor-based sources can yield data with sufficient counting statistics above the incoherent scattering contribution to perform unconstrained refinements in relatively short time periods (from minutes to a few hours, depending on the sample size and the instrument choice), without the requirement for significant changes to the standard operational modes of the instruments. The results are critically compared with previous literature from single-crystal and powder X-ray and neutron measurements on deuterated and nondeuterated gypsum.<br/

Determination of the cation distribution in Fe2Ni(PO4)2 using isotopic substitution and powder neutron diffraction

The distribution of divalent iron and nickel over the two metal sites with differing coordination geometry in Fe2Ni(PO4)2, sarcopside, has been investigated using time-of-flight powder neutron diffraction of nickel isotopically substituted materials. Data from four separate samples were collected using HRPD at ISIS, containing natNi, 58Ni, 60Ni and 62Ni, under identical conditions. The occupancy of iron on the M(1) site was found to be 0.290 (1) from a combined-data-set Rietveld refinement of the three isotopically substituted samples, compared with 0.26 (4) and 0.26 (15) respectively from this and a previous time-of-flight powder neutron diffraction study using natural-abundance nickel, and 0.366 (6) and 0.376 (3) using anomalous X-ray scattering techniques. A critical comparison of isotope substitution neutron diffraction and anomalous X-ray scattering methods for distinguishing nickel and iron from powder data is presented