Two Methods to Study Inelastic Neutron-Scattering Measurements Based on ωn(q) versus S(q, ω) Applied to the Magnetic Open Honeycomb Lattice Material Tb2Ir3Ga9

This work describes two methods to fit the inelastic neutron-scattering spectrum S(q, ω) with wavector q and frequency ω. The common and well-established method extracts the experimental spin-wave branches ωn(q) from the measured spectra S(q ,ω) and then minimizes the difference between the observed and predicted frequencies. When n branches of frequencies are predicted but the measured frequencies overlap to produce only m < n branches, the weighted average of the predicted frequencies must be compared to the observed frequencies. A penalty is then exacted when the width of the predicted frequencies exceeds the width of the observed frequencies. The second method directly compares the measured and predicted intensities S(q ,ω) over a grid {q i , ωj} in wavevector and frequency space. After subtracting background noise from the observed intensities, the theoretical intensities are scaled by a simple wavevector-dependent function that reflects the instrumental resolution. The advantages and disadvantages of each approach are demonstrated by studying the open honeycomb material Tb2Ir3Ga9.

Quantitative powder diffraction using a (2 + 3) surface diffractometer and an area detector

X-ray diffractometers primarily designed for surface X-ray diffraction are often used to measure the diffraction from powders, textured materials and fiber-texture samples in 2θ scans. Unlike in high-energy powder diffraction, only a fraction of the powder rings is typically measured, and the data consist of many detector images across the 2θ range. Such diffractometers typically scan in directions not possible on a conventional laboratory diffractometer, which gives enhanced control of the scattering vector relative to the sample orientation. There are, however, very few examples where the measured intensity is directly used, such as for profile/Rietveld refinement, as is common with other powder diffraction data. Although the underlying physics is known, converting the data is time consuming and the appropriate corrections are dispersed across several publications, often not with powder diffraction in mind. This paper presents the angle calculations and correction factors required to calculate meaningful intensities for 2θ scans with a (2 + 3)-type diffractometer and an area detector. Some of the limitations with respect to texture, refraction and instrumental resolution are also discussed, as is the kind of information that one can hope to obtain.

Basics of Sans

In this chapter the general aspects of SANS are addressed. This includes discussions of the experimental setup, instrumental resolution, the influence of inelastic contributions due to phonon and magnon scattering to the elastic SANS cross section, the basics of nuclear SANS, the magnetic SANS cross sections, and their relation to the particle-matrix model.

Testing the evolution of correlations between supermassive black holes and their host galaxies using eight strongly lensed quasars

ABSTRACT One of the main challenges in using high-redshift active galactic nuclei (AGNs) to study the correlations between the mass of a supermassive black hole ($\mathcal {M}_{\rm BH}$) and the properties of its active host galaxy is instrumental resolution. Strong lensing magnification effectively increases instrumental resolution and thus helps to address this challenge. In this work, we study eight strongly lensed AGNs with deep Hubble Space Telescope imaging, using the lens modelling code lenstronomy to reconstruct the image of the source. Using the reconstructed brightness of the host galaxy, we infer the host galaxy stellar mass based on stellar population models. $\mathcal {M}_{\rm BH}$ are estimated from broad emission lines using standard methods. Our results are in good agreement with recent work based on non-lensed AGNs, demonstrating the potential of using strongly lensed AGNs to extend the study of the correlations to higher redshifts. At the moment, the sample size of lensed AGNs is small and thus they provide mostly a consistency check on systematic errors related to resolution for non-lensed AGNs. However, the number of known lensed AGNs is expected to increase dramatically in the next few years, through dedicated searches in ground- and space-based wide-field surveys, and they may become a key diagnostic of black holes and galaxy co-evolution.

Plasma Spectroscopy on an Aluminum-Pellet Ablation Cloud in an LHD Plasma with an Echelle Spectrometer

We developed an echelle spectrometer for the simultaneous observation of the whole visible range with a high instrumental resolution, for example, 0.055 nm (full width at the half maximum) at 400 nm and 0.10 nm at 750 nm. With the spectrometer, the emission from an ablation cloud of an aluminum pellet injected into a high-temperature plasma generated in the Large Helical Device (LHD) was measured. We separated the emission lines into Al I, II, III and IV groups, and estimated the electron temperature and density of the ablation cloud from the line intensity distribution and Stark broadening respectively, of each of the Al I, II and III groups. We also determined the Stark broadening coefficients of many Al II and III lines from the respective Stark widths with the estimated electron temperature and density.

Master curve of boosted diffusion for 10 catalytic enzymes

Molecular agitation more rapid than thermal Brownian motion is reported for cellular environments, motor proteins, synthetic molecular motors, enzymes, and common chemical reactions, yet that chemical activity coupled to molecular motion contrasts with generations of accumulated knowledge about diffusion at equilibrium. To test the limits of this idea, a critical testbed is the mobility of catalytically active enzymes. Sentiment is divided about the reality of enhanced enzyme diffusion, with evidence for and against. Here a master curve shows that the enzyme diffusion coefficient increases in proportion to the energy release rate—the product of Michaelis-Menten reaction rate and Gibbs free energy change (ΔG)—with a highly satisfactory correlation coefficient of 0.97. For 10 catalytic enzymes (urease, acetylcholinesterase, seven enzymes from the glucose cascade cycle, and one other), our measurements span from a roughly 40% enhanced diffusion coefficient at a high turnover rate and negativeΔGto no enhancement at a slow turnover rate and positiveΔG. Moreover, two independent measures of mobility show consistency, provided that one avoids undesirable fluorescence photophysics. The master curve presented here quantifies the limits of both ideas, that enzymes display enhanced diffusion and that they do not within instrumental resolution, and has possible implications for understanding enzyme mobility in cellular environments. The striking linear dependence of ΔGfor the exergonic enzymes (ΔG<0), together with the vanishing effect for endergonic enzyme (ΔG>0), are consistent with a physical picture in which the mechanism boosting the diffusion is an active one, utilizing the available work from the chemical reaction.

The Interaction of Hydrogen with Iron Benzene-1,3,5-Tricarboxylate (Fe-BTC)

Inelastic neutron scattering (INS) spectroscopy is used to explore the 0–12,000 cm−1 range to characterise the interaction of H2 with iron benzene-1,3,5-tricarboxylate (Fe-BTC). Two peaks are observed in the low energy (<350 cm−1) region after exposure to H2. Measurements with hydrogen deuteride (HD) confirm that the peaks originate from H2. The most likely explanation is that there are two populations of H2 (HD) present. For both the H2- and the HD-loaded samples, the higher energy peak is close in energy to that of the pure isotopomer, so it is assigned to bulk-like H2/HD held in pores of the Fe-BTC. The lower energy peak is assigned to H2/HD interacting directly with the Fe ion exposed on dehydration. It was also possible to detect the H–H stretch in the same experiment; however, unfortunately, the instrumental resolution is insufficient to separate the stretch modes of the bound H2 (HD) and that in the pores.

Boosted molecular mobility during common chemical reactions

Mobility of reactants and nearby solvent is more rapid than Brownian diffusion during several common chemical reactions when the energy release rate exceeds a threshold. Screening a family of 15 organic chemical reactions, we demonstrate the largest boost for catalyzed bimolecular reactions, click chemistry, ring-opening metathesis polymerization, and Sonogashira coupling. Boosted diffusion is also observed but to lesser extent for the uncatalyzed Diels-Alder reaction, but not for substitution reactions SN1 and SN2 within instrumental resolution. Diffusion coefficient increases as measured by pulsed-field gradient nuclear magnetic resonance, whereas in microfluidics experiments, molecules in reaction gradients migrate “uphill” in the direction of lesser diffusivity. This microscopic consumption of energy by chemical reactions transduced into mechanical motion presents a form of active matter.

Exact and fast calculation of the X-ray pair distribution function

A fast and exact algorithm to calculate the powder pair distribution function (PDF) for the case of periodic structures is presented. The new algorithm calculates the PDF by a detour via reciprocal space. The calculated normalized total powder diffraction pattern is transferred into the PDF via the sine Fourier transform. The calculation of the PDF via the powder pattern avoids the conventional simplification of X-ray and electron atomic form factors. It is thus exact for these types of radiation, as is the conventional calculation for the case of neutron diffraction. The new algorithm further improves the calculation speed. Additional advantages are the improved detection of errors in the primary data, the handling of preferred orientation, the ease of treatment of magnetic scattering and a large improvement to accommodate more complex instrumental resolution functions.

Experience in synchronous observation of seismic-strain oscillations of the Earth by the spaced laser interferometers

The first results of unique experiments on the synchronous registration of seismic-strain oscillations of the Earth’s surface by three laser interferometers-deformographs (strainmeters) spaced 6740 km apart are presented. Two 100-meter laser interferometers at the Fryazino site (Moscow Region) and the 18-meter laser strainmeter at the observation point of Karymshina (Kamchatka Peninsula) were applied. The frequency-stabilized and thermally controlled lasers and the interferogram registration systems of compensation and modulation types providing an absolute instrumental resolution of 0.1-0.01 nm were used. The results of data analysis in sessions of synchronous operation of these instruments during 2016-2020 were obtained and discussed.