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Binary mixtures of water with lower alcohols display non-linear phase behaviors upon mixing, which are attributed to potential cluster formation at the molecular level. Unravelling such elusive structures requires investigation of hydrogen-bonding sub-nanosecond dynamics. We employ high-resolution neutron time-of-flight spectroscopy with polarization analysis in combination with selective deuteration to study the concentration-dependent structural dynamics in the water rich part of the phase diagram of water–ethanol mixtures. This method enables simultaneous access to atomic correlations in space and time and allows us to separate spatially incoherent scattering probing self-diffusion of the ethanol fraction from the coherent scattering probing collective diffusion of the water network as a whole. Our observations indicate an enhanced rigidity of the hydrogen bond network at the mesoscopic length scale compared to the molecular scale as the ethanol fraction increases, which is consistent with the hypothesis of clusters. [ABSTRACT FROM AUTHOR]

We proposed a current‐biased kinetic inductance detector (CB‐KID) as a novel superconducting detector to construct a neutron transmission imager. The characteristics of a superconducting neutron detector have been systematically studied to improve a spatial resolution down to 10μm$$ \upmu \mathrm{m} $$ in transmission imaging. In this study, we report the application of the energy‐resolving neutron imaging to investigate major components of materials by analyzing neutron transmission spectra from 1 meV to 500 keV. We succeeded in identifying that copper (Cu) and iron (Fe) are major components respectively in commercial nuts and screws as test samples with the aid of Rietveld imaging of transmission spectra (RITS) program in analyzing transmission spectra in longer wavelengths. The Ti screw was also confirmed by comparing the nuclear resonance absorption measurements and simulations in high‐energy regions. We demonstrated that our superconducting neutron detector is applicable to reveal the transmission spectra in the wide range from cold‐neutron energies ∼meV$$ \sim \mathrm{meV} $$ to higher neutron energies even up to 500 keV. By selecting distinctive energy regions of pulsed neutrons, we succeeded in mapping the distribution of SmSn3 compound using the strong neutron absorption in samarium (Sm) and the selective nuclear‐resonance dips in Sm. By taking advantage of using CB‐KID in conducting neutron imaging, the CB‐KID method is extensively useful for various purposes in material sciences through energy‐selective neutron spectroscopy from 1 meV to 500 keV. © 2024 Institute of Electrical Engineers of Japan and Wiley Periodicals LLC. [ABSTRACT FROM AUTHOR]

Geophysical monitoring of CO2 geological sequestration represents a critical technology for ensuring the long-term safe storage of CO2 while verifying its characteristics and dynamic changes. Currently, the primary geophysical monitoring methods employed in CO2 geological sequestration include seismic, fiber optic, and logging technologies. Among these methods, seismic monitoring techniques encompass high-resolution P-Cable three-dimensional seismic systems, delayed vertical seismic profiling technology, and four-dimensional distributed acoustic sensing (DAS). These methods are utilized to monitor interlayer strain induced by CO2 injection, thereby indirectly determining the injection volume, distribution range, and potential diffusion pathways of the CO2 plume. In contrast, fiber optic monitoring primarily involves distributed fiber optic sensing (DFOS), which can be further classified into distributed acoustic sensing (DAS) and distributed temperature sensing (DTS). This technology serves to complement seismic monitoring in observing interlayer strain resulting from CO2 injection. The logging techniques utilized for monitoring CO2 geological sequestration include neutron logging methods, such as thermal neutron imaging and pulsed neutron gamma-ray spectroscopy, which are primarily employed to assess the sequestration volume and state of CO2 plumes within a reservoir. Seismic monitoring technology provides a broader monitoring scale (ranging from dozens of meters to kilometers), while logging techniques operate at centimeter to meter scales; however, their results can be significantly affected by the heterogeneity of a reservoir. [ABSTRACT FROM AUTHOR]

Inertial Confinement Fusion and Magnetic Confinement Fusion (ICF and MCF) follow different paths toward goals that are largely common. In this paper, the claim is made that progress can be accelerated by learning from each other across the two fields. Examples of successful cross-community knowledge transfer are presented that highlight the gains from working together, specifically in the areas of high-resolution x-ray imaging spectroscopy and neutron spectrometry. Opportunities for near- and mid-term collaboration are identified, including in chemical vapor deposition diamond detector technology, using gamma rays to monitor fusion gain, handling neutron-induced backgrounds, developing radiation hard technology, and collecting fundamental supporting data needed for diagnostic analysis. Fusion research is rapidly moving into the igniting and burning regimes, posing new opportunities and challenges for ICF and MCF diagnostics. This includes new physics to probe, such as alpha heating; increasingly harsher environmental conditions; and (in the slightly longer term) the need for new plant monitoring diagnostics. Substantial overlap is expected in all of these emerging areas, where joint development across the two subfields as well as between public and private researchers can be expected to speed up advancement for all. [ABSTRACT FROM AUTHOR]

By using time-of-flight neutron spectroscopy with polarization analysis, we have separated coherent and incoherent contributions to the scattering of deuterated tetrahydrofuran in a wide scattering vector (Q)-range from meso- to inter-molecular length scales. The results are compared with those recently reported for water to address the influence of the nature of inter-molecular interactions (van der Waals vs hydrogen bond) on the dynamics. The phenomenology found is qualitatively similar in both systems. Both collective and self-scattering functions are satisfactorily described in terms of a convolution model that considers vibrations, diffusion, and a Q-independent mode. We observe a crossover in the structural relaxation from being dominated by the Q-independent mode at the mesoscale to being dominated by diffusion at inter-molecular length scales. The characteristic time of the Q-independent mode is the same for collective and self-motions and, contrary to water, faster and with a lower activation energy (≈1.4 Kcal/mol) than the structural relaxation time at inter-molecular length scales. This follows the macroscopic viscosity behavior. The collective diffusive time is well described by the de Gennes narrowing relation proposed for simple monoatomic liquids in a wide Q-range entering the intermediate length scales, in contraposition to the case of water. [ABSTRACT FROM AUTHOR]

Abstract The ability to distinguish multiple forms of plutonium from one another, such as oxide and metal, is paramount in areas of nuclear nonproliferation and international safeguards. In its metal form, plutonium can be readily used in a nuclear weapon, while oxide forms are associated with nuclear reactor fuel. Oxide-based plutonium forms emit neutrons with an energy spectrum that is significantly different from the fission neutrons that are emitted from plutonium metal. Organic scintillation detectors output pulses that are proportional to the neutron energy deposited, and therefore present a means of distinguishing these plutonium forms based on their energy spectra. In this work, metal and oxide forms of plutonium were measured using a handheld detection system based on an organic glass scintillator. Monte Carlo modeling of these experiments was performed to provide insight into the origin of the features in the observed light output spectra. Through analysis of multiple regions of these spectra, in a matter of minutes we were able to unambiguously discriminate oxide and metal plutonium forms from one another and from a plutonium-beryllium neutron source, which was considered for comparison because these sources are commonly used in industrial applications. The ability to discriminate weapons-usable material from nuclear reactor fuel has applications in nuclear treaty verification and safeguards.

Neutron spectroscopy uniquely and non‐destructively accesses diffusive dynamics in soft and biological matter, including for instance proteins in hydrated powders or in solution, and more generally dynamic properties of condensed matter on the molecular level. Given the limited neutron flux resulting in long counting times, it is important to optimize data acquisition for the specific question, in particular for time‐resolved (kinetic) studies. The required acquisition time was recently significantly reduced by measurements of discrete energy transfers rather than quasi‐continuous neutron scattering spectra on neutron backscattering spectrometers. Besides this reduction in acquisition times, smaller amounts of samples can be measured with better statistics, and most importantly, kinetically changing samples, such as aggregating or crystallizing samples, can be followed. However, given the small number of discrete energy transfers probed in this mode, established analysis frameworks for full spectra can break down. Presented here are new approaches to analyze measurements of diffusive dynamics recorded within fixed windows in energy transfer, and these are compared with the analysis of full spectra. The new approaches are tested by both modeled scattering functions and a comparative analysis of fixed energy window data and full spectra on well understood reference samples. This new approach can be employed successfully for kinetic studies of the dynamics focusing on the short‐time apparent center‐of‐mass diffusion. [ABSTRACT FROM AUTHOR]

In addition to investigations of the three-dimensional protein structure, information on the dynamical properties of proteins is indispensable for an understanding of protein function in general. Correlations between protein dynamics and function are typically anticipated when both molecular mobility and function are concurrently affected under specific temperatures or hydration conditions. In contrast, excitation energy transfer within the major photosynthetic light-harvesting complex II (LHC II) presents an atypical case, as it remains fully operational even at cryogenic temperatures, primarily depending on the interactions between electronic states and involving harmonic protein vibrations only. This review summarizes recent work on vibrational and conformational protein dynamics of LHC II and directly relates these findings to its light-harvesting function. In addition, we give a comprehensive introduction into the use of neutron spectroscopy and molecular dynamics simulations to investigate the protein dynamics of photosynthetic protein complexes in solution, which is information complementary to that obtained by protein crystallography. [ABSTRACT FROM AUTHOR]

The ability to distinguish multiple forms of plutonium from one another, such as oxide and metal, is paramount in areas of nuclear nonproliferation and international safeguards. In its metal form, plutonium can be readily used in a nuclear weapon, while oxide forms are associated with nuclear reactor fuel. Oxide-based plutonium forms emit neutrons with an energy spectrum that is significantly different from the fission neutrons that are emitted from plutonium metal. Organic scintillation detectors output pulses that are proportional to the neutron energy deposited, and therefore present a means of distinguishing these plutonium forms based on their energy spectra. In this work, metal and oxide forms of plutonium were measured using a handheld detection system based on an organic glass scintillator. Monte Carlo modeling of these experiments was performed to provide insight into the origin of the features in the observed light output spectra. Through analysis of multiple regions of these spectra, in a matter of minutes we were able to unambiguously discriminate oxide and metal plutonium forms from one another and from a plutonium-beryllium neutron source, which was considered for comparison because these sources are commonly used in industrial applications. The ability to discriminate weapons-usable material from nuclear reactor fuel has applications in nuclear treaty verification and safeguards. [ABSTRACT FROM AUTHOR]

The temperature measurement of material inside of an object is one of the key technologies for control of dynamical processes. For this purpose, various techniques such as laser-based thermography and phase-contrast imaging thermography have been studied. However, it is, in principle, impossible to measure the temperature of an element inside of an object using these techniques. One of the possible solutions is measurements of Doppler brooding effect in neutron resonance absorption (NRA). Here we present a method to measure the temperature of an element or an isotope inside of an object using NRA with a single neutron pulse of approximately 100 ns width provided from a high-power laser. We demonstrate temperature measurements of a tantalum (Ta) metallic foil heated from the room temperature up to 617 K. Although the neutron energy resolution is fluctuated from shot to shot, we obtain the temperature dependence of resonance Doppler broadening using a reference of a silver (Ag) foil kept to the room temperature. A free gas model well reproduces the results. This method enables element(isotope)-sensitive thermometry to detect the instantaneous temperature rise in dynamical processes. Non-contact thermometry is one of the key technologies for modern science and industry. Here, authors demonstrated measurement of temperature of an element using neutron resonance spectroscopy with Doppler broadening with single intense short neutron pulse provided from high peak power. [ABSTRACT FROM AUTHOR]

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Magnetic materials with noncoplanar magnetic structures can show unusual physical properties driven by nontrivial topology. Topologically-active states are often multi-q structures, which are challenging to stabilize in models and to identify in materials. Here, we use inelastic neutron-scattering experiments to show that the insulating double perovskites Ba2YRuO6 and Ba2LuRuO6 host a noncoplanar 3-q structure on the face-centered cubic lattice. Quantitative analysis of our neutron-scattering data reveals that these 3-q states are stabilized by biquadratic interactions. Our study identifies double perovskites as a highly promising class of materials to realize topological magnetism, elucidates the stabilization mechanism of the 3-q state in these materials, and establishes neutron spectroscopy on powder samples as a valuable technique to distinguish multi-q from single-q states, facilitating the discovery of topologically-nontrivial magnetic materials. [ABSTRACT FROM AUTHOR]

The hydrodynamics of the dense confining fuel shell is of great importance in defining the behavior of the burning plasma and burn propagation regimes of inertial confinement fusion experiments. However, it is difficult to probe due to its low emissivity in comparison with the central fusion core. In this work, we utilize the backscattered neutron spectroscopy technique to directly measure the hydrodynamic conditions of the dense fuel during fusion burn. Experimental data are fit to obtain dense fuel velocities and apparent ion temperatures. Trends of these inferred parameters with yield and velocity of the burning plasma are used to investigate their dependence on alpha heating and low mode drive asymmetry. It is shown that the dense fuel layer has an increased outward radial velocity as yield increases, showing that burn has continued into re-expansion, a key signature of hotspot ignition. A comparison with analytic and simulation models shows that the observed dense fuel parameters are displaying signatures of burn propagation into the dense fuel layer, including a rapid increase in dense fuel apparent ion temperature with neutron yield. [ABSTRACT FROM AUTHOR]

This paper is Part II of a double‐paper series that presents the abundance of water and chlorine along with other neutron‐absorbing elements in the shallow subsurface of Gale crater based on measurements by the Dynamic Albedo of Neutron (DAN) instrument onboard NASA's Curiosity rover. Initial results were represented as pixels on map data products from both DAN active and passive measurements made along the 27‐km traverse of the rover, corresponding to the mission period from landing on the martian surface in August 2012 through December 2021. In Part II, the contents of water and chlorine along with other neutron absorbers are studied separately for distinct geological regions along the traverse. Mean values and sample variances of these values are presented for each region. Water‐equivalent hydrogen (WEH) measurements show variability within the Jura member of the Murray formation and increase within the Carolyn Shoemaker formation. A large fraction of stratigraphic units (e.g., Bradbury, Sheepbed, Pahrump Hills and others) have mean WEH values between 2 and 3 wt.%, while units in the second part of the traverse (Jura, Knockfarrill Hill, Glasgow, Pontours) have mean values of WEH above 3 wt.%. The mean absorption‐equivalent chlorine value has no large variations for all tested geologic units; it is equal to around 1% for all of them. Plain Language Summary: The Dynamic Albedo of Neutrons instrument installed on NASA's Curiosity rover provides measurements of hydrogen (as an indicator of water) and other neutron‐absorbing elements (primarily chlorine) in the shallow subsurface of Gale crater on Mars. The initial data set for this study consists of pixel data products obtained from the instrument measurements taken over the rover's traverse of 27 km from August 2012 to December 2021. The data has been analyzed for distinct geological members defined by the Mars Science Laboratory team, allowing independent examination of various geological locations. The Jura, Knockfarrill Hill, and Pontours members exhibit mean water estimation values above 3 wt.%, while the majority of stratigraphic units, such as Bradbury and Sheepbed, have mean water values ranging between 2 and 3 wt.%. Measurements of water reveal differentiation in the Jura member of the Murray formation. The highest water values, reaching up to 4 wt.%, are observed in locations of the Carolyn Shoemaker formation. For other neutron‐absorbing elements, the mean value is roughly 1 wt.% for all geological units tested and does not vary significantly. Key Points: The Dynamic Albedo of Neutron (DAN) data was analyzed for the period of time from August 2012 to December 2021, for almost 27 km of the MSL traverse15 distinct MSL geological regions were examined using the DAN dataThe DAN data recognized the presence of two subregions within the Jura member of the Murray formation based on Water‐equivalent hydrogen concentration [ABSTRACT FROM AUTHOR]

We present an investigation by molecular dynamics (MD)-simulations of the coherent dynamic structure factor, S(Q, t) (Q: momentum transfer), of liquid water at the mesoscale (0.1 Å−1 ≤ Q ≤ Qmax) [Qmax ≈ 2 Å−1: Q-value of the first maximum of the static structure factor, S(Q), of water]. The simulation cell—large enough to address the collective properties at the mesoscale—is validated by direct comparison with recent results on the dynamic structure factor in the frequency domain obtained by neutron spectroscopy with polarization analysis [Arbe et al., Phys. Rev. Res. 2, 022015 (2020)]. We have not only focused on the acoustic excitations but also on the relaxational contributions to S(Q, t). The analysis of the MD-simulation results—including the self- and distinct contributions to the diffusive part of S(Q, t)—nicely explains why the relaxation process hardly depends on Q in the low Q-range (Q ≤ 0.4 Å−1) and how it crosses over to a diffusion-driven process at Q ≈ Qmax. Our simulations also give support to the main assumptions of the model used to fit the experimental data in the above mentioned paper. The application of such a model to the simulation S(Q, t) data delivers (i) results for the relaxation component of S(Q, t) in agreement with those obtained from neutron experiments and (ii) longitudinal and transverse hydrodynamic-like components with similar features than those identified in previous simulations of the longitudinal and transverse current spectra directly. On the other hand, in general, our MD-simulations results of S(Q, t) qualitatively agree with the viscoelastic transition framework habitually used to describe inelastic x-ray scattering results. [ABSTRACT FROM AUTHOR]

The investigation of supported metal nanoparticle in the presence of H2 is fundamental to better understand their behavior as hydrogenation catalysts. In this respect, this review will focus on the main recent results obtained by Inelastic Neutron Scattering (INS) spectroscopy, which is of particular interest thanks to its ability to provide very detailed vibrational spectra of the H‐containing species in the sample. The review will cover the main results concerning the characterization of the H‐species already present in the pristine catalyst, with a particular focus on carbon‐based materials and their modification upon the interaction with metal nanoparticles. Successively, the forms in which H2 interacts with the catalysts will be examined, starting from H2 physisorption, to then pass to the metal hydride species formed through the splitting of dihydrogen upon the active metallic phase, and finally to the migration of atomic hydrogen from the metal nanoparticles onto the support as a result of hydrogen spillover. The aim of the review is to present an overview of all the hydrogenous species identifiable by INS spectroscopy in hydrogenation catalysts, focusing on the specific case of supported metal nanoparticles systems. [ABSTRACT FROM AUTHOR]

This study presents a comparative analysis of secondary particle spectra emanating from radiation shielding at a particle therapy center. Employing an innovative protective method, concrete-soil sandwich walls with varying soil layer thicknesses (ranging from 150 to 350 cm) were examined for characterization of their shielding capacity. This research was inspired by the shielding design principles of the MedAustron particle therapy facility. Monte Carlo simulations using FLUKA were conducted to model the transport of therapeutic proton or C-ion beams directed at an Average Human Body Phantom (AHUBO), employing 108 primary particles at their maximum therapeutic energies (250 MeV for protons and 430 MeV/u for C-ions), to investigate the secondary fluxes of neutrons, alpha, beta, and gamma particles. The analysis was conducted within a simplified spherical geometry representing the treatment chamber wall, facilitating the respective spectral characteristics. This research contributes to the development of radiation protection methodologies, emphasizing sustainability and performance optimization for future particle therapy centers. By studying the impact of primary particles on parameters such as neutron flux, dose equivalent, neutron spectrum, alpha particles, beta, and gamma particles, the aim is to design a "green" shielding solution tailored to the needs of the International Institute for Sustainable Technologies of Southeast Europe (SEEIIST). Furthermore, the feasibility of utilizing concrete sandwich walls filled with locally excavated soil has been explored to potentially reduce concrete usage and minimize soil removal during foundation laying, thus promoting environmental sustainability. [ABSTRACT FROM AUTHOR]

Electrons at the border of localization generate exotic states of matter across all classes of strongly correlated electron materials and many other quantum materials with emergent functionality. Heavy electron metals are a model example, in which magnetic interactions arise from the opposing limits of localized and itinerant electrons. This remarkable duality is intimately related to the emergence of a plethora of novel quantum matter states such as unconventional superconductivity, electronic-nematic states, hidden order and most recently topological states of matter such as topological Kondo insulators and Kondo semimetals and putative chiral superconductors. The outstanding challenge is that the archetypal Kondo lattice model that captures the underlying electronic dichotomy is notoriously difficult to solve for real materials. Here we show, using the prototypical strongly-correlated antiferromagnet CeIn3, that a multi-orbital periodic Anderson model embedded with input from ab initio bandstructure calculations can be reduced to a simple Kondo-Heisenberg model, which captures the magnetic interactions quantitatively. We validate this tractable Hamiltonian via high-resolution neutron spectroscopy that reproduces accurately the magnetic soft modes in CeIn3, which are believed to mediate unconventional superconductivity. Our study paves the way for a quantitative understanding of metallic quantum states such as unconventional superconductivity. Kondo materials exhibit extremely rich physics, from unconventional superconductivity to topological phases. Unfortunately, for a real material, direct solution of the Kondo lattice is practically impossible. Here, Simeth et al. present a tractable approach to this problem, showing how a multi-orbital periodic Anderson model can be reduced to a Kondo lattice model, and be applied to relevant materials and quantitatively validated with neutron spectroscopy. [ABSTRACT FROM AUTHOR]

In this work, a computational spectroscopy approach was used to provide a complete assignment of the inelastic neutron scattering spectra of three title alkoxysilane derivatives—3-aminopropyltrimethoxysilane (APTS), N-methyl-3-aminopropyltrimethoxysilane (MAPTS), and 3-aminopropyltriethoxysilane (APTES). The simulated spectra obtained from density functional theory (DFT) calculations exhibit a remarkable match with the experimental spectra. The description of the experimental band profiles improves as the number of molecules considered in the theoretical model increases, from monomers to trimers. This highlights the significance of incorporating non-covalent interactions, encompassing classical NH···N, N–H···O, as well as C–H···N and C–H···O hydrogen bond contacts, to achieve a comprehensive understanding of the system. A distinct scenario emerges when considering optical vibrational techniques, infrared and Raman spectroscopy. In these instances, the monomer model provides a reasonable description of the experimental spectra, and no substantial alterations are observed in the simulated spectra when employing dimer and trimer models. This observation underscores the distinctive ability of neutron spectroscopy in combination with DFT calculations in assessing the structure and dynamics of molecular materials. [ABSTRACT FROM AUTHOR]

The article discusses the exploration of quantum magnetic materials and their importance in developing modern information technology. The researchers investigate a specific quantum magnetic system called the Shastry-Sutherland model (SSM) and its realization in SrCu2(BO3)2. They study the behavior of the system under high magnetic fields and observe the appearance of field-induced magnetization plateaux. Through neutron scattering experiments and model calculations, they provide evidence for the condensation of bound states of triplets, forming a spin nematic phase. The researchers suggest that high-field inelastic neutron scattering is a valuable tool for studying spin dynamics in various systems. [Extracted from the article]

The NASA Dawn spacecraft visited asteroid 4 Vesta between 2011 and 2012 and dwarf planet 1 Ceres between 2015 and 2018 to investigate their surfaces through optical and hyperspectral imaging and their composition through gamma-ray and neutron spectroscopy. For the global mapping investigation of both proto-planets, geologic mappers employed Geographic Information System (GIS) software to map 15 quadrangles using optical and hyperspectral data and to produce views of the geologic evolution through individual maps and research papers. While geologic mapping was the core motivation of the mapping investigation, the project never aimed to produce homogeneous and consistent map representations. The chosen mapping approach and its implementation led to a number of inconsistencies regarding cartographic representation, including differential generalization through varying mapping scales, topologic inconsistencies, lack of semantic integrity, and scale consistency, and ultimately, to the management of reusable research data. Ongoing data acquisition during the mapping phase created additional challenges for the homogenization of mapping results and a potential derivation of a global map. This contribution reviews cartographic and data perspectives on the mapping investigation of Ceres and highlights (a) data sources, (b) the cartographic concept, (c) mapping conduct, and (d) dissemination as well as research-data management arrangements. It furthermore discusses decisions and experiences made during mapping and finishes with a set of recommendations from the viewpoint of the cartographic sciences. [ABSTRACT FROM AUTHOR]

The ultracold neutron (UCN) source at the Paul Scherrer Institute (PSI) provides high intensities of storable neutrons for fundamental physics experiments. The neutron velocity spectrum parallel to the beamline axis was determined by time-of-flight spectroscopy using a neutron chopper. In particular, the temporal evolution of the spectrum during neutron production and UCN storage in the source storage volume was investigated and compared to Monte Carlo simulation results. A softening of the measured spectrum from a mean velocity of 7.7(1)–5.1(1) m s - 1 occurred within the first 30 s after the proton beam pulse had impinged on the spallation target. A spectral hardening was observed over longer time scales of one measurement day, consistent with the effect of surface degradation of the solid deuterium moderator. [ABSTRACT FROM AUTHOR]

FePS 3 is a van der Waals compound with a honeycomb lattice that is a good example of a two-dimensional antiferromagnet with Ising-like anisotropy. Neutron spectroscopy data from FePS 3 were previously analyzed using a straightforward Heisenberg Hamiltonian with a single-ion anisotropy. The analysis captured most of the elements of the data; however, some significant discrepancies remained. The discrepancies were most obvious at the Brillouin zone boundaries. The data are subsequently reanalyzed, allowing for unequal exchange between nominally equivalent nearest-neighbors, which resolves the discrepancies. The source of the unequal exchange is attributed to a biquadratic exchange term in the Hamiltonian, which most probably arises from a strong magnetolattice coupling. The new parameters show that there are features consistent with Dirac magnon nodal lines along certain Brillouin zone boundaries. [ABSTRACT FROM AUTHOR]

Combining elastic incoherent neutron scattering and differential scanning calorimetry, we investigate the occurrence of the volume phase transition (VPT) in very concentrated poly-(N-isopropyl-acrylamide) (PNIPAM) microgel suspensions, from a polymer weight fraction of 30 wt. % up to dry conditions. Although samples are arrested at the macroscopic scale, atomic degrees of freedom are equilibrated and can be probed in a reproducible way. A clear signature of the VPT is present as a sharp drop in the mean square displacement of PNIPAM hydrogen atoms obtained by neutron scattering. As a function of concentration, the VPT gets smoother as dry conditions are approached, whereas the VPT temperature shows a minimum at about 43 wt. %. This behavior is qualitatively confirmed by calorimetry measurements. Molecular dynamics simulations are employed to complement experimental results and gain further insights into the nature of the VPT, confirming that it involves the formation of an attractive gel state between the microgels. Overall, these results provide evidence that the VPT in PNIPAM-based systems can be detected at different time- and length-scales as well as under overcrowded conditions. [ABSTRACT FROM AUTHOR]

Polymeric materials exhibit a rich hierarchy of dynamics from fast sub-molecular motions to collective segmental relaxations and slow chain diffusion. Such dynamical hierarchy dictates that the performance of polymeric materials is tightly linked to fast molecular dynamics, necessitating a thorough understanding of the dynamic behavior of polymers on the nanoscale. Recent advances in the synthesis of polymer composites with nanoscale fillers further amplify the need to probe polymer dynamics over spatial and temporal nanoscales to achieve reliable engineering of materials with well-defined properties. This tutorial focuses on the efficacy of neutron spectroscopy techniques, combined with judicious hydrogen/deuterium labeling, in selectively probing local and collective dynamics that underlie macroscopic properties in polymeric materials with varying degrees of complexity. [ABSTRACT FROM AUTHOR]

Unannealed neutron transmutation doped silicon substrates with a target resistivity of approximately 1000 Ω cm are characterized for radiation induced defects by means of microwave detected photoinduced current transient spectroscopy (MD-PICTS). This technique is a contactless advancement of conventional PICTS and does not require the fabrication of ohmic contacts. Defect spectroscopy by means of MD-PICTS is conducted in a broad temperature range between 30 K and 293 K, which makes it possible to identify energetically shallow as well as deep traps. In addition, a wavelength dependent analysis is performed to determine whether a defect is located at the surface or in the bulk material. Three traps with an average activation energy of 68 meV , 85 meV , and 150 meV are observed. In addition, an indication for deep defect states with activation energies between 320 meV and 480 meV is found. According to the wavelength dependent analysis, it is assumed that all observed traps are bulk defects. Finally, a minority carrier lifetime of approximately 0.7 μs is determined, suggesting that the crystal is heavily damaged by neutron radiation. [ABSTRACT FROM AUTHOR]

The "Simulation Meets Neutron Spectroscopy" (siMol) conference was held in Oxfordshire, UK, with the goal of bringing together the communities of neutron spectroscopy and atomistic simulation. Over 80 attendees from various institutions across Europe participated in the conference, which featured speakers from disciplines such as Chemistry, Energy Materials, Catalysis, Biology, and Soft Matter. The conference highlighted the importance of simulation methods in providing a deeper understanding of neutron data, with a particular focus on the potential role of machine learning techniques in data analysis. The event also showcased planned upgrades to the instrument suite at the ISIS Neutron and Muon Facility. The conference emphasized the need for collaboration and bridging the gap between experimentalists and simulators to enhance research output in the short term, while also exploring the potential of machine learning techniques for future high-throughput measurements. [Extracted from the article]

Human hair is a biopolymer constituted mainly of keratin intermediate filaments, lipids, pigments and water. Cosmetic treatments usually interact with the hair at the molecular level, inducing changes in its components and modifying the physicochemical and mechanical properties of the fibers. Here, the effect of acid straightening on the morphology and ultrastructure of Caucasian hair was investigated by a group of complementary experimental methods: wide‐, small‐ and ultra‐small‐angle X‐ray scattering; high‐resolution 3D X‐ray microscopy; quasi‐elastic neutron scattering and inelastic neutron scattering; thermogravimetry–mass spectrometry; and differential scanning calorimetry (DSC). X‐ray diffraction patterns showed that acid straightening associated with a flat iron (∼180°C) changed the cortex of the fiber, shown by denaturation of the intermediate filaments (measured by DSC). The increase in the spacing of the lipid layers and the observation of the dehydration behavior of the fiber provided indications that water may be confined between these layers, while neutron spectroscopy showed alterations in the vibration mode of the CH2 groups of the lipids and an increase of the proton (H+) mobility in the hair structure. The latter may be associated with the extremely low pH of the formulation (pH ≃ 1). Additionally, this investigation showed that bleached hair (one‐time bleached) is more damaged by the action of acid straightening than virgin hair, which was shown by a threefold increase in the percentage of total porosity of the tresses. The obtained results demonstrate that the investigation approach proposed here can provide very important thermodynamic and structural information on induced changes of hair structure, and certainly can be applied for the evaluation of the action mode and efficiency of cosmetic treatments. [ABSTRACT FROM AUTHOR]

The National Diagnostic Working Group (NDWG) has led the effort to fully exploit the major inertial confinement fusion/high-energy density facilities in the US with the best available diagnostics. These diagnostics provide key data used to falsify early theories for ignition and suggest new theories, recently leading to an experiment that exceeds the Lawson condition required for ignition. The factors contributing to the success of the NDWG, collaboration and scope evolution, and the methods of accomplishment of the NDWG are discussed in this Review. Examples of collaborations in neutron and gamma spectroscopy, x-ray and neutron imaging, x-ray spectroscopy, and deep-ultraviolet Thomson scattering are given. An abbreviated history of the multi-decade collaborations and the present semiformal management framework is given together with the latest National Diagnostic Plan. [ABSTRACT FROM AUTHOR]

Rare-earth intermetallic compounds are characterised by the presence of a long-range magnetic order due to the interaction of local magnetic moments periodically located within the crystal lattice. This paper considers the possibility of forming an ordered state in cases where there is no opportunity to observe the local moment of the f-electronic shell in a traditional sense. These are, first of all, systems with a singlet ground state, as well as systems with fast spin fluctuations caused by a homogeneous intermediate-valence state of a rare-earth ion. Extensive experimental studies of these effects using neutron diffraction, neutron spectroscopy, and high-pressure studies of the magnetic phase diagram are presented and analysed, and the corresponding microscopic model representations are discussed. In particular, the possible origin of long-range magnetic order in mixed-valence compounds is analysed. [ABSTRACT FROM AUTHOR]

Hydrogen spillover is an elusive process, and its characterization, using experimental probes and ab initio modeling, poses a serious challenge. In this work, the nuclear quantum dynamics of hydrogen in a palladium-decorated cubic polymorph of tungsten oxide, Pd/cWO3, are characterized by the technique of neutron Compton scattering augmented by ab initio harmonic lattice modeling. The deeply penetrating nature of the neutron scattering process, the lack of spectroscopic selection rules, the inherent high sensitivity to hydrogen, the high energy and momentum resolution for hydrogen, and the mass selectivity of the technique render the neutron Compton scattering a very potent and unique tool for investigating the local dynamics of hydrogen species in bulk matrices. The total neutron Compton scattering response of hydrogen is described in terms of the hydrogen momentum distribution. The distribution is deconvoluted under the assumption of three pools of hydrogen with distinctly different nuclear quantum dynamical behavior: (i) hydrogen-terminated beta-palladium hydride, (ii) hydrogen in acid centers (OH+ groups) on the surface of the cubic phase of tungsten oxide, and (iii) quasi-free atomic hydrogen inside the saturated hydrogen bronze resulting from the spillover process. The ab initio modeling of lattice dynamics yields theoretical predictions for the values of the widths of proton momentum distributions in the first two hydrogen pools, which allows for obtaining the contribution and the width of the momentum distribution of the quasi-free atomic hydrogen resulting from the hydrogen spillover process. The analysis reveals that the local binding strength of the quasi-free hydrogen is characterized by the values of nuclear momentum distribution width, nuclear kinetic energy, and force constant of the underlying potential of the mean force close to those of free, unconstrained hydrogen atomic species in a gas of non-interacting particles described by the Maxwell–Boltzmann distribution. Moreover, this picture of the local dynamics of the quasi-free hydrogen is consistent with the proton polaron model of hydrogen-induced coloration of bulk hydrogenated WO3. [ABSTRACT FROM AUTHOR]

The neutron reference radiation field of different components is the basic condition for the performance test of neutron shielding materials. In order to obtain an ideal neutron field for neutron protection material testing, a multi sphere energy spectrum measurement system based on 3He tube was constructed. The neutron radiation field slowing down condition based on 241Am-Be and 252Cf neutron sources was simulated and the energy spectrum was measured. In order to accurately judge the neutron scattering at the calibration reference position of the laboratory, the neutron scattering component measurement was carried out based on the multi sphere neutron spectrum measurement system. The dose rate conversion of the energy spectrum was carried out using the dose dose conversion coefficient recommended by ICRP. Compared with the results of the long counter, it was found that the deviation of the dose rate at the calibration position was not more than 20%. The experimental study on obtaining specific energy spectrum of polyethylene moderated isotope neutron source was carried out. The simulated calculation and experimental measurement of moderated spectrum were carried out, and the results were in good agreement. This work provides a useful neutron radiation field for the subsequent neutron metrology test and neutron protection material test.

Initially, yields (or abundances) and branching ratios of β-delayed neutrons (βdn) from fission products (Pn-values) have had their main importance in nuclear reactor control. At that time, the six-group mathematical approximation of the time-dependence of βdn-data in terms of the so-called "Keepin groups" was generally accepted. Later, with the development of high-resolution neutron spectroscopy, βdn data have provided important information on nuclear-structure properties at intermediate excitation energy in nuclei far from stability, as well as in nuclear astrophysics. In this paper, I will present some examples of the βdn-studies performed by the Kernchemie Mainz group during the past three decades. This work has been recognized as an example of "broad scientific diversity" which has led to my nomination for the 2014 Hans A. Bethe prize. [ABSTRACT FROM AUTHOR]

Production methods for practical sources are reported for 161Dy, 166Er, and 169Tm Mössbauer spectroscopy. Dy0.5Gd0.5F3 can be a useful source material by neutron irradiation for 161Dy Mössbauer spectroscopy. The fluoride was synthesized from rare-earth oxides by the "wet" method. HoAl2 is a useful source material above 40 K for 166Er Mössbauer spectroscopy by neutron irradiation. Ho0.4Y0.6H2 is an alternative source material usable for lower temperatures, although Ho0.4Y0.6H2 is not appropriate for repetitive use. A safer method for hydrogenation using TiH2 instead of a H2 gas cylinder will help the source production. Er-Al alloy including about 10-wt% of Er can be used as 169Tm Mössbauer source by neutron irradiation. Alternative source production method by high-energy X-rays using electron linear accelerator is discussed for 161Dy Mössbauer source. These production methods will be used complementarily for many other sources and absorbers. This report reconsiders the existing approaches and a revision of practical methods for the preparation of the sources for 161Dy-, 166Er- and 169Tm-Mössbauer spectroscopy [ABSTRACT FROM AUTHOR]

Neutron scattering experiments at three-axes spectrometers (TAS) investigate magnetic and lattice excitations by measuring intensity distributions to understand the origins of materials properties. The high demand and limited availability of beam time for TAS experiments however raise the natural question whether we can improve their efficiency and make better use of the experimenter's time. In fact, there are a number of scientific problems that require searching for signals, which may be time consuming and inefficient if done manually due to measurements in uninformative regions. Here, we describe a probabilistic active learning approach that not only runs autonomously, i.e., without human interference, but can also directly provide locations for informative measurements in a mathematically sound and methodologically robust way by exploiting log-Gaussian processes. Ultimately, the resulting benefits can be demonstrated on a real TAS experiment and a benchmark including numerous different excitations. Neutron scattering experiments are important for studying materials properties. Here, the authors present a probabilistic active learning approach for neutron spectroscopy with three-axes spectrometers and demonstrate optimization of beam time use by favoring informative regions of signal. [ABSTRACT FROM AUTHOR]

Measuring fast neutron emission around accelerators is important for purposes of environmental monitoring and radiation safety. It is necessary to detect two types of neutrons: thermal and fast. Fast neutron spectroscopy is commonly employed using a hydrogen-recoil proportional-counter; however, its threshold is 2 MeV. The aim of this study was to expand PGNA converters based on KCl to fulfil the need to detect neutron energies ranging from 0.02 MeV to 3 MeV. In our previous research, we established a counting system comprised of a large converter of KCl with a NaI(Tl) gamma radiation spectrometer. The KCl converter is efficient for fast neutron prompt gamma emission. The potassium naturally includes a radioisotope that emits 1.460 MeV gamma rays. The presence of the constant level of 1.460 MeV gamma ray counts offers an advantage, providing a stable background for the detector. The study was carried out using MCNP simulations of the counting system with a variety of PGNA converters based on KCl. We concluded that KCl mixtures combined with other elements, such as PGNA converters, demonstrated improved detection performance for fast neutron emissions. Furthermore, an explication of how to add materials to KCl to provide a proper converter for fast neutrons was introduced. [ABSTRACT FROM AUTHOR]

This work reports the competitive magnetocaloric effect of some simple lanthanide fluoride materials with cations with high magnetic anisotropy. Of these, HoF3 is particularly promising due to exhibiting a high magnetocaloric entropy change under modest applied fields at higher temperatures, which only decreases modestly with temperature such that it has the potential for cooling for hydrogen liquefaction. Spin-polarized neutron spectroscopy indicates that its promising conventional magnetocaloric effect is likely due to the presence of ferromagnetic fluctuations of highly anisotropic magnetic moments, while its singlet electronic ground state and low-temperature magnetic ordering lead to a decrease in its magnetocaloric performance below 4 K. [ABSTRACT FROM AUTHOR]

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Thermal polymorphism in the alkali-metal salts incorporating the icosohedral monocarba-hydridoborate anion, CB11H12−, results in intriguing dynamical properties leading to superionic conductivity for the lightest alkali-metal analogues, LiCB11H12 and NaCB11H12. As such, these two have been the focus of most recent CB11H12− related studies, with less attention paid to the heavier alkali-metal salts, such as CsCB11H12. Nonetheless, it is of fundamental importance to compare the nature of the structural arrangements and interactions across the entire alkali-metal series. Thermal polymorphism in CsCB11H12 was investigated using a combination of techniques: X-ray powder diffraction; differential scanning calorimetry; Raman, infrared, and neutron spectroscopies; and ab initio calculations. The unexpected temperature-dependent structural behavior of anhydrous CsCB11H12 can be potentially justified assuming the existence of two polymorphs with similar free energies at room temperature: (i) a previously reported, ordered R3 polymorph stabilized upon drying and transforming first to R3c symmetry near 313 K and then to a similarly packed but disordered I 4 3d polymorph near 353 K and (ii) a disordered Fm 3 polymorph that initially appears from the disordered I 4 3d polymorph near 513 K along with another disordered high-temperature P63mc polymorph. Quasielastic neutron scattering results indicate that the CB11H12− anions in the disordered phase at 560 K are undergoing isotropic rotational diffusion, with a jump correlation frequency [1.19(9) × 1011 s−1] in line with those for the lighter-metal analogues. [ABSTRACT FROM AUTHOR]

At very low energies, a light neutral particle above a horizontal surface can experience quantum reflection. The quantum reflection holds the particle against gravity and leads to gravitational quantum states (gqs). So far, gqs were only observed with neutrons as pioneered by Nesvizhevsky and his collaborators at ill. However, the existence of gqs is predicted also for atoms. The Grasian collaboration pursues the first observation and studies of gqs of atomic hydrogen. We propose to use atoms in order to exploit the fact that orders of magnitude larger fluxes compared to those of neutrons are available. Moreover, recently the q-Bounce collaboration, performing gqs spectroscopy with neutrons, reported a discrepancy between theoretical calculations and experiment which deserves further investigations. For this purpose, we set up a cryogenic hydrogen beam at 6 K . We report on our preliminary results, characterizing the hydrogen beam with pulsed laser ionization diagnostics at 243 nm . [ABSTRACT FROM AUTHOR]