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The present study explores the hydrogen-bond network in an equimolar mixture of acetic acid and water (AA–W). The investigation was conducted using a combination of neutron scattering and Density Functional Theory (DFT). New neutron scattering data at large scattering wave vectors were analyzed to determine the total structure factor SM(q) and the molecular form factor F1(q) of the system. DFT calculations using the 6-311++G(d, p) basis set were performed to optimize the monomers and various AA–W H-bonded clusters, including one acetic acid (AA) molecule connected to one, two, and three water molecules. Consequently, three dimers, three trimers, and one tetramer have been considered in order to describe the local order in the mixture. In addition, this study focused on the H-bond interactions in the most probable clusters in the solution, using the natural bond orbital and the atoms in molecules analyses. Our analysis particularly shows that stronger H-bond interactions occur in the ring structures. [ABSTRACT FROM AUTHOR]

A model zwitterionic polysulfobetaine, poly(3-(acrylamidopropyl-dimethyl-ammonium) propyl-1-sulfonate) (pAPAPS), phase separates upon cooling and exhibits an upper critical solution temperature (UCST) behavior with no added salt in deuterium oxide solutions. Dynamic light scattering measurements indicate the presence of distinct fast and slow diffusive modes, where the fast mode is interpreted as a collective diffusion coefficient and the slow mode is attributed to the diffusion of multi-chain dynamic clusters. The relative population of fast and slow modes varies systematically with temperature and concentration. A clustering temperature (T*) was assigned when the slow mode first appeared upon cooling. The slow mode then increases in relative scattering amplitude as the phase boundary is approached. The fast mode exhibits a concentration dependence above T* consistent with the virial expansion in the collective diffusion. The sign of the virial coefficient (kd) is negative, even in the good solvent region above the expected Flory temperature (Θ ≈ 39 °C), a behavior distinct from synthetic neutral polymers in organic solvents. The onset of multi-chain clustering at T < T* coincides with the poor solvent regime (T < Θ). Attractive dipolar interactions due to the zwitterionic sulfobetaine groups in pAPAPS are suggested as the origin of the multi-chain clusters with no salt. Upon the addition of 100 mM NaCl, the slow mode is suppressed, and the hydrodynamic radius is consistent with polyzwitterion chain dimensions in a dilute solution. We find that concentration dependent diffusion is highly linked to the theta temperature and the emergence of dynamic clusters as the polymer goes from good to poor solvent on approach to the UCST. The slow mode in the semidilute regime is reported along with preliminary small-angle neutron scattering data that show salt reduces clustering and leads to predominantly chain scattering. [ABSTRACT FROM AUTHOR]

The structure of zinc aluminosilicate glasses with the composition (ZnO)x(Al2O3)y(SiO2)1−x−y, where 0 ≤ x < 1, 0 ≤ y < 1, and x + y < 1, was investigated over a wide composition range by combining neutron and high-energy x-ray diffraction with 27Al magic angle spinning nuclear magnetic resonance spectroscopy. The results were interpreted using an analytical model for the composition-dependent structure in which the zinc ions do not act as network formers. Four-coordinated aluminum atoms were found to be in the majority for all the investigated glasses, with five-coordinated aluminum atoms as the main minority species. Mean Al–O bond distances of 1.764(5) and 1.855(5) Å were obtained for the four- and five-coordinated aluminum atoms, respectively. The coordination environment of zinc was not observed to be invariant. Instead, it is dependent on whether zinc plays a predominantly network-modifying or charge-compensating role and, therefore, varies systematically with the glass composition. The Zn–O coordination number and bond distance were found to be 4.36(9) and 2.00(1) Å, respectively, for the network-modifying role vs 5.96(10) and 2.08(1) Å, respectively, for the charge-compensating role. The more open coordination environment of the charge-compensator is related to an enhanced probability of zinc finding bridging oxygen atoms as nearest-neighbors, reflecting a change in the connectivity of the glass network comprising four-coordinated silicon and aluminum atoms as the alumina content is increased. [ABSTRACT FROM AUTHOR]

Considerable interest in designing multi-responsive soft materials for diverse applications is leading to the development of systems that are embedded with functional groups with stimuli-responsive characters. Surface-active ionic liquids (SAILs) with an ability to form various structural aggregates represent an interesting candidate for designing soft materials with stimuli-responsive characters. Embedding photo-responsive moieties into SAILs with existing pH-responsive properties can unlock a broader range of potential uses. Herein, we prepared photo- and pH-responsive catanionic giant vesicles (GVs) through a synergetic interaction between the pH-responsive choline oleate ([Ch][Ol]) and photo-responsive (4-methyl-4-(2-(octyloxy)-2-oxoethyl)) morpholin-4-ium(E)-4-((4-(dimethylamino) phenyl) diazinyl) benzenesulfonate ([C8EMorph][MO]). The photo-responsiveness in the GVs was introduced through [C8EMorph][MO], which shows E–Z isomerisation under 460 nm light irradiation, whereas the pH-responsive character was obtained through [Ch][Ol]. We used absorbance measurements complimented with a computational study to characterize the photo-responsive behaviour. Irradiating the GVs with light of suitable wavelength and changing the pH of the system altered the behaviour of the aggregates. Small-angle neutron scattering (SANS) analysis showed that, before irradiation, the size of the bilayer thickness of the GVs was 28 Å and after irradiation it was increased to 31 Å, leading to an increment in the overall size of the GVs. This was due to the formation of Z-[C8EMorph][MO] after irradiation, which leads to a slight alteration in the interactions between both SAILs. Moreover, the change in pH of the vesicles caused alterations in the size and shape of the vesicles, as confirmed through the SANS analysis. The stability of the GVs in terms of temperature, dilution, and time was analysed to characterise the GVs for practical applications. The insights gained from this study could be valuable for developing materials for these applications such as probes, cargo carriers, and microreactors in future. [ABSTRACT FROM AUTHOR]

Presented here is an effective approach to desmearing slit ultra‐small‐angle neutron scattering (USANS) data, based on complementary small‐angle neutron scattering (SANS) measurements, leading to a seamless merging of these data sets. The study focuses on the methodological aspects of desmearing USANS data, which can then be presented in the conventional manner of SANS, enabling a broader pool of data analysis methods. The key innovation lies in the use of smeared SANS data for extrapolating slit USANS, offering a self‐consistent integrand function for desmearing with Lake's iterative method. The proposed approach is validated through experimental data on porous anodized aluminium oxide membranes, showcasing its applicability and benefits. The findings emphasize the importance of accurate desmearing for merging USANS and SANS data in the crossover q region, which is particularly crucial for complex scattering patterns. [ABSTRACT FROM AUTHOR]

Small‐angle neutron scattering is a widely used technique to study large‐scale structures in bulk samples. The largest accessible length scale in conventional Bragg scattering is determined by the combination of the longest available neutron wavelength and smallest resolvable scattering angle. A method is presented that circumvents this limitation and is able to extract larger length scales from the low‐q power‐law scattering using a modification of the well known Porod law connecting the scattered intensity of randomly distributed objects to their specific surface area. It is shown that in the special case of a highly aligned domain structure the specific surface area extracted from the modified Porod law can be used to determine specific length scales of the domain structure. The analysis method is applied to study the micrometre‐sized domain structure found in the intermediate mixed state of the superconductor niobium. The analysis approach allows the range of accessible length scales to be extended from 1 µm to up to 40 µm using a conventional small‐angle neutron scattering setup. [ABSTRACT FROM AUTHOR]

The Q resolution in Bonse–Hart double‐crystal diffractometers is determined for a given Bragg angle by the value of the crystallographic structure factor. To date, the reflections Si 220 or Si 111 have been used exclusively in neutron scattering, which provide resolutions for triple‐bounce crystals of about 2 × 10−5 Å−1 (FWHM). The Darwin width of the GaAs 200 reflection is about a factor of 10 smaller, offering the possibility of a Q resolution of 2 × 10−6 Å−1 provided crystals of sufficient quality are available. This article reports a feasibility study with single‐bounce GaAs 200, yielding a Q resolution of 4.6 × 10−6 Å−1, six times superior in comparison with a Si 220 setup. [ABSTRACT FROM AUTHOR]

We have designed and realized a temperature and pressure controlled cell for Neutron Reflectometry (NR) and Small Angle Neutron Scattering (SANS) that is compatible with simultaneous optical transmission and resistivity measurements. The cell can accommodate samples up to 102 mm (4 inch) in diameter, can be pressurized from vacuum up to 10 bar gas pressure and the sample temperature can be controlled up to 350°C. The four single crystal quartz windows ensure both a good neutron and optical transmission and hence can be used in combination with in-situ optical transmission measurements. We present the cell and illustrate its performance with a series of neutron reflectometry experiments performed on Ta based thin films under a hydrogen containing atmosphere. [ABSTRACT FROM AUTHOR]

This study presents the self-assembly of polyethylene oxide (PEO)-block-polypropylene oxide (PPO)-block-polyethylene oxide (PEO)-based block copolymer (BCP) commercially known as Pluronic® P123 in water and in the presence of different copolymeric surfactants (L61, L62, L64, and F68) with varying degree of hydrophilicity, i.e., %EO content. The clouding behavior demonstrates the varied phase transition ranging from solution, blue point (BP), and cloud point (CP). The characteristics of the micelles in the single and mix system are characterized utilizing dynamic light scattering (DLS) and small-angle neutron scattering (SANS) techniques at different temperatures. These scattering approaches provide an insightful information on the micelle size and shape. The size variations in self-assembled micelles designated the micelles to undergo growth/transition in shape from spherical to elongated ellipsoidal as function of temperature. Additionally, the application of these nanoscale micellar aggregates as carriers for delivering the anticancer drug Quercetin (QCT) was undertaken by a thorough quantitative and qualitative analysis to gain valuable insights into the effectiveness of the mix-micellar system as an ideal platform for drug delivery. A comprehensive investigation of drug release kinetics is presented using various kinetic models. The MTT (cytotoxicity assay) assay is used to gauge the effectiveness of the QCT-loaded copolymeric micelles. Micellar transition of 5% w/v P123 in water and in the presence of copolymeric surfactants as additives at 0.2% weight fraction (fix) at different temperatures [ABSTRACT FROM AUTHOR]

The recent advancements in neutron scattering technologies in China, with the development of China's first Spin-Echo Small-Angle Neutron Scattering (SESANS) spectrometer at China Mianyang Research Reactor (CMRR) and the integration of a Very Small Angle Neutron Scattering (VSANS) instrument at China Spallation Neutron Source (CSNS), have significantly bolstered the nation's scientific capabilities. This review aims to highlight the distinctive features and applications of SESANS and SANS, and to offer a valuable contribution by demonstrating how SESANS and SANS can be leveraged for the study of soft matters and solid-state materials, with a particular emphasis on the benefits of techniques such as chain labeling, contrast variation, and contrast matching. We also aim to illustrate what types of information can be gleaned from these methods. The review is structured to first introduce the general concepts of SANS and SESANS, followed by a discussion on the information these techniques can provide. Then the applications of these techniques, in combination with other techniques, on various material investigations will be demonstrated. The review concludes with a summary and future perspectives, aiming to inspire further interdisciplinary research and collaboration, and beneficial to a broader audience. [ABSTRACT FROM AUTHOR]

Neutron irradiation causes embrittlement of reactor pressure vessel (RPV) steels. Post-irradiation annealing is capable of partly or fully restoring the unembrittled condition. While annealing at high temperatures (e.g., 475°C) was successfully applied to extend the lifetime of operating VVER-440 reactors, the benefit of annealing at lower temperatures (e.g., 343°C-the maximum to which the primary cooling water can be heated) is a matter of debate. In this study, neutron-irradiated VVER-440 RPV base metal and weld were exposed to isothermal annealing at 343°C up to 2,000 h. Given the limited amount of material, the degree of recovery was estimated in terms of Vickers hardness, the ductile-brittle transition temperature derived from small punch tests, and the master curve reference temperature derived from fracture mechanics tests of mini samples. For the base metal, small-angle neutron scattering was applied to underpin the findings at the nm-scale. We have found significant partial recovery in both materials after annealing for 300 h or longer. The variations of the degree of recovery are critically discussed and put into the context of wet annealing. [ABSTRACT FROM AUTHOR]

For a reliable characterization of materials and systems featuring multiple structural levels, a broad length scale from a few ångström to hundreds of nanometres must be analyzed and an extended Q range must be covered in X‐ray and neutron scattering experiments. For certain samples or effects, it is advantageous to perform such characterization with a single instrument. Neutrons offer the unique advantage of contrast variation and matching by D‐labeling, which is of great value in the characterization of natural or synthetic polymers. Some time‐of‐flight small‐angle neutron scattering (TOF‐SANS) instruments at neutron spallation sources can cover an extended Q range by using a broad wavelength band and a multitude of detectors. The detectors are arranged to cover a wide range of scattering angles with a resolution that allows both large‐scale morphology and crystalline structure to be resolved simultaneously. However, for such analyses, the SANS instruments at steady‐state sources operating in conventional monochromatic pinhole mode rely on additional wide‐angle neutron scattering (WANS) detectors. The resolution must be tuned via a system of choppers and a TOF data acquisition option to reliably measure the atomic to mesoscale structures. The KWS‐2 SANS diffractometer at Jülich Centre for Neutron Science allows the exploration of a wide Q range using conventional pinhole and lens focusing modes and an adjustable resolution Δλ/λ between 2 and 20%. This is achieved through the use of a versatile mechanical velocity selector combined with a variable slit opening and rotation frequency chopper. The installation of WANS detectors planned on the instrument required a detailed analysis of the quality of the data measured over a wide angular range with variable resolution. This article presents an assessment of the WANS performance by comparison with a McStas [Willendrup, Farhi & Lefmann (2004). Physica B, 350, E735–E737] simulation of ideal experimental conditions at the instrument. [ABSTRACT FROM AUTHOR]

Small‐angle scattering (SAS) is a key experimental technique for analyzing nanoscale structures in various materials. In SAS data analysis, selecting an appropriate mathematical model for the scattering intensity is critical, as it generates a hypothesis of the structure of the experimental sample. Traditional model selection methods either rely on qualitative approaches or are prone to overfitting. This paper introduces an analytical method that applies Bayesian model selection to SAS measurement data, enabling a quantitative evaluation of the validity of mathematical models. The performance of the method is assessed through numerical experiments using artificial data for multicomponent spherical materials, demonstrating that this proposed analysis approach yields highly accurate and interpretable results. The ability of the method to analyze a range of mixing ratios and particle size ratios for mixed components is also discussed, along with its precision in model evaluation by the degree of fitting. The proposed method effectively facilitates quantitative analysis of nanoscale sample structures in SAS, which has traditionally been challenging, and is expected to contribute significantly to advancements in a wide range of fields. [ABSTRACT FROM AUTHOR]

Based on small angle neutron-scattering data from a nanocomposite composed of fullerene C60 (16.5 wt %) in an isotactic polypropylene matrix, we receive information on the clusterization of nanoparticles and define their geometric parameters and dimensionality. This study proposes an interpretation of the aggregation of particles with surface fractal properties in the size range up to 80 nm, as observed in a small-angle-neutron-scattering experiment. Based on well-known theories about the defect structure of the fullerene C60 molecule in non-Euclidean metrics, specifically disclinations and monopoles in the two-dimensional spherical space of Gödel type, we formulate a lattice version of the monopole gas model. Within this framework, we use the Monte Carlo method on a lattice with the Abelian projection to estimate the energies of monopole currents at various monopole concentrations. The proposed model enables the calculation of the fractal properties of C60 nanoparticles in a polymer composite, as well as the interpretation of the evolution of disclinations. [ABSTRACT FROM AUTHOR]

The layered metamagnet CrSBr offers a rich interplay between magnetic, optical, and electrical properties that can be extended down to the two‐dimensional (2D) limit. Despite the extensive research regarding the long‐range magnetic order in magnetic van der Waals materials, short‐range correlations have been loosely investigated. By using small‐angle neutron scattering (SANS) the formation of short‐range magnetic regions in CrSBr with correlation lengths that increase upon cooling up to ≈3 nm at the antiferromagnetic ordering temperature (TN ≈ 140 K) is shown. Interestingly, these ferromagnetic correlations start developing below 200 K, i.e., well above TN. Below TN, these correlations rapidly decrease and are negligible at low‐temperatures. The experimental results are well‐reproduced by an effective spin Hamiltonian, which pinpoints that the short‐range correlations in CrSBr are intrinsic to the monolayer limit, and discard the appearance of any frustrated phase in CrSBr at low‐temperatures within the experimental window between 2 and 200 nm. Overall, the obtained results are compatible with a spin freezing scenario of the magnetic fluctuations in CrSBr and highlight SANS as a powerful technique for characterizing the rich physical phenomenology beyond the long‐range order paradigm offered by van der Waals magnets. [ABSTRACT FROM AUTHOR]

The mixed surfactant system of tetradecyldimethylamine oxide (TDMAO) and lithium perfluorooctanoate (LiPFO) is known to spontaneously self-assemble into well-defined small unilamellar vesicles. For a quantitative analysis of small-angle x-ray scattering on this model system, we complemented the measurements with densitometry, conductimetry, and contrast-variation small-angle neutron scattering. The analysis points to two main findings: first, the vesicles formed to contain a much higher mole fraction (0.61–0.64) of TDMAO than the bulk sample (0.43) and predicted by Regular Solution Theory (RST, 0.46). In consequence, the unimer concentration of LiPFO is more than 5 times higher than predicted by RST. Second, the vesicle bilayer is asymmetric with a higher fraction of LiPFO on the outside. These findings on a model system should be of broader relevance for the understanding of similar mixed surfactant vesicle systems and thereby also be of importance for their use in a number of applications. [ABSTRACT FROM AUTHOR]

A hallmark of unconventional superconductors is a complex electronic phase diagram where intertwined orders of charge-spin-lattice degrees of freedom compete and coexist. While the kagome metals such as CsV3Sb5 also exhibit complex behavior, involving coexisting charge density wave order and superconductivity, much is unclear about the microscopic origin of the superconducting pairing. We study the vortex lattice in the superconducting state of Cs(V0.86Ta0.14)3Sb5, where the Ta-doping suppresses charge order and enhances superconductivity. Using small-angle neutron scattering, a strictly bulk probe, we show that the vortex lattice exhibits a strikingly conventional behavior. This includes a triangular symmetry with a period consistent with 2e-pairing, a field dependent scattering intensity that follows a London model, and a temperature dependence consistent with a uniform superconducting gap. Our results suggest that optimal bulk superconductivity in Cs(V1−xTax)3Sb5 arises from a conventional Bardeen-Cooper-Schrieffer electron-lattice coupling, different from spin fluctuation mediated unconventional copper- and iron-based superconductors. The mechanism of superconductivity in layered kagome metals remains unclear, however its coexistence with charge order suggests exotic interpretations. Here the authors study the vortex lattice in the superconducting state of Ta-doped CsV3Sb5 with suppressed charge order, suggesting conventional pairing. [ABSTRACT FROM AUTHOR]

X‐ray and neutron scattering have long been used for structural characterization of cellulose in plants. Due to averaging over the illuminated sample volume, these measurements traditionally overlooked the compositional and morphological heterogeneity within the sample. Here, a scanning tomographic imaging method is described, using contrast derived from the X‐ray scattering intensity, for virtually sectioning the sample to reveal its internal structure at a resolution of a few micrometres. This method provides a means for retrieving the local scattering signal that corresponds to any voxel within the virtual section, enabling characterization of the local structure using traditional data‐analysis methods. This is accomplished through tomographic reconstruction of the spatial distribution of a handful of mathematical components identified by non‐negative matrix factorization from the large dataset of X‐ray scattering intensity. Joint analysis of multiple datasets, to find similarity between voxels by clustering of the decomposed data, could help elucidate systematic differences between samples, such as those expected from genetic modifications, chemical treatments or fungal decay. The spatial distribution of the microfibril angle can also be analyzed, based on the tomographically reconstructed scattering intensity as a function of the azimuthal angle. [ABSTRACT FROM AUTHOR]

The micellization behavior of conventional cationic surfactant: tetradecyltrimethylammonium bromide (TTAB), and Gemini surfactant (GS): N,N′‐ditetradecyl‐N,N,N′,N′‐tetramethyl‐N,N′‐ethanediyl‐diammonium dibromide (14‐2‐14) in water and water‐trifluoroethanol (TFE) solvent mixture has been examined using tensiometric and small‐angle neutron scattering (SANS) techniques. Critical micelle concentration (CMC), and various interfacial parameters such as surface tension at CMC (γCMC), surface pressure at CMC (πCMC), maximum surface excess concentration (Γmax), and minimum area occupied by the head group (Amin) were evaluated for our examined systems at 303.15 K. It was observed that with the increase in TFE concentration, the CMC of the tested cationic surfactants decreased, thereby favoring the micellization in the presence of the surface‐active TFE. Furthermore, the geometry and aggregation number (Nagg) of surfactant micelles were inferred using SANS that revealed the decrease in micelle size of cationic surfactants. Additionally, the computational simulation study provided an insight into the molecular interactions in the examined system that validated our experimental findings. [ABSTRACT FROM AUTHOR]

The compressibility of soft colloids influences their phase behavior and flow properties, especially in concentrated suspensions. Particle compressibility, which is proportional to the reciprocal of the bulk modulus K, is a key parameter for soft polymer‐based particles that can be compressed in crowded environments. Here, microgels with different degrees of cross‐linking, i.e., softness, are investigated below and above their volume phase transition temperature (VPTT). By combining molecular dynamics simulations with small‐angle neutron scattering with contrast variation, a change in the particle bulk moduli of two orders of magnitude is observed. The degree of cross‐linking has a significant impact on the bulk modulus of the swollen microgel, while above the VPTT the values of K are almost independent of the cross‐linking density. The excellent agreement between experimental results and simulations also highlight that the model microgels from computer simulations possess both the internal architecture and the elastic properties of real polymeric networks. This paves the way to a systematic use of simulations to investigate the behavior of dense microgel suspensions below and above their VPTT. [ABSTRACT FROM AUTHOR]

Magnetic skyrmions are topologically protected magnetization vortices that form three-dimensional strings in chiral magnets. With the manipulation of skyrmions being key to their application in devices, the focus has been on their dynamics within the vortex plane, while the dynamical control of skyrmion strings remained uncharted territory. Here, we report the effective bending of three-dimensional skyrmion strings in the chiral magnet MnSi in orthogonal thermal gradients using small angle neutron scattering. This dynamical behavior is achieved by exploiting the temperature-dependent skyrmion Hall effect, which is unexpected in the framework of skyrmion dynamics. We thus provide experimental evidence for the existence of magnon friction, which was recently proposed to be a key ingredient for capturing skyrmion dynamics, requiring a modification of Thiele's equation. Our work therefore suggests the existence of an extra degree of freedom for the manipulation of three-dimensional skyrmions. Skyrmions, a type of topological spin texture, have been proposed for both storing and processing information. Central to this is the ability to manipulate the skyrmions, while at the same time ensuring their stability. Here, Ran, Tan, Sun and coauthors observe the bending of skyrmion strings under a thermal gradient, providing key evidence for the existence of magnon friction. [ABSTRACT FROM AUTHOR]

Controlling the morphology of molecular assemblies formed by surfactants by photoirradiation enables the controlled release of incorporated substances, which can be applied to delivery systems for drugs and active ingredients. On the other hand, conventional photoresponsive surfactants and molecular assemblies have a slow response speed, making it difficult to control their functions at the desired time. In this review, I discuss our recent progress in the accelerated control of functions of photoresponsive molecular assemblies by using lophine dimer as a photochromic compound. The lophine dimer derivative dissociates into a pair of lophyl radicals that upon ultraviolet (UV) light irradiation, and these radical species thermally recombine although the recombination reaction is extremely slow due to the diffusion of lophyl radicals. By using the confined inner space of micelles formed by surfactants, the recombination reaction was extremely accelerated. With UV light irradiation, rapid morphological changes in micelles, formed by amphiphilic lophine dimers were observed by using in situ small-angle neutron scattering (in situ SANS) system. Moreover, the rapid controlled release of calcein as a model drug was achieved by UV light irradiation using the photoresponsive micelles. This rapid system can realize the controlled release of drugs truly at the desired time, developing an efficient and precise drug delivery system (DDS). Furthermore, it can be applied in a wide range of fields such as release control of active ingredients, efficient heat exchange control, and actuating systems. [ABSTRACT FROM AUTHOR]

In this work, a concept for a neutron diffractometer for high-resolution macromolecular structures has been developed within the Jülich High Brilliance Neutron Source (HBS) project. The SELENE optics are adapted to the requirements of the instrument to achieve a tunable low background neutron beam at mm2 scale sample area. With the optimized guide geometry, a low background neutron beam can be achieved at the small sample area with tunable divergence and size. For the 1 × 1 mm2 sample, a flux of 1.10 × 107 n/s/cm2 for 0.38° divergence is calculated in the 2–4 Å wavelength range, which is about 84.6% of the flux at MaNDi of the high-power spallation source SNS at ORNL. Virtual neutron scattering experiments have been performed to demonstrate the instrument's capabilities for studies of mm scale samples with large unit cells. Results of Vitesse simulations indicate that unit cell sizes of up to 200 Å are possible to be resolved with the proposed instrument. [ABSTRACT FROM AUTHOR]

The sample environment is essential to neutron scattering experiments as it induces the sample under study into a phase or state of particular interest. Various sample environments have been developed, yet the high-voltage electric field has rarely been documented. In this study, Bruce electrodes with various sectional geometries and chamber sizes were examined by using simulation modeling based on ANSYS Maxwell. A large uniform field region where samples would sit could be achieved in the planar region for all specifications, but the size of the region and the field strength varied with the gap distance between electrodes. The edging effect was inherently observed even for bare electrodes, about 1.7% higher in the sinusoidal region than the planar region, and was significantly deteriorated when a chamber was applied. This effect, however, presented an exponential decrease as the minimum distance between the electrode edge and the chamber shell increased. A compromise between the spatial confinement and the achievable field (strength and uniform region) could be reached according to the unique applicability of neutron instruments. This research provides a theoretical basis for the subsequent design and manufacturing of high-voltage sample environment devices. [ABSTRACT FROM AUTHOR]

Biological small‐angle neutron scattering (SANS) instruments facilitate critical analysis of the structure and dynamics of complex biological systems. However, with the growth of experimental demands and the advances in optical systems design, a new neutron optical concept is necessary to overcome the limitations of current instruments. This work presents an approach to include experimental objectives (i.e. the science to be supported by a specific neutron scattering instrument) in the optimization of the neutron optical concept. The approach for a proposed SANS instrument at the Second Target Station of the Spallation Neutron Source at Oak Ridge National Laboratory, USA, is presented here. The instrument is simulated with the McStas software package. The optimization process is driven by an evolutionary algorithm using McStas output data, which are processed to calculate an objective function designed to quantify the expected performance of the simulated neutron optical configuration for the intended purpose. Each McStas simulation covers the complete instrument, from source to detector, including realistic sample scattering functions. This approach effectively navigates a high‐dimensional parameter space that is otherwise intractable; it allows the design of next‐generation SANS instruments to address specific scientific cases and has the potential to increase instrument performance compared with traditional design approaches. [ABSTRACT FROM AUTHOR]

The 500 mm‐diameter aluminium alloy neutron window in the SANS diffractometer SANS‐J at JRR‐3, Tokai, Japan, has been replaced by an ultrahigh‐purity aluminium (5N‐Al, >99.999%) window. Although the 5N‐Al window is three times thicker than the alloy window to compensate for the lower tensile strength, the background intensity in the small‐angle neutron scattering (SANS) curve was successfully decreased by a factor of 10 at the maximum. The 5N‐Al window is suitable not only for large‐diameter neutron windows in SANS diffractometers but also for windows in their environmental apparatus which cannot be made of single‐crystal silicon or other ceramics due to their poor availability, fracture strength, processability or affinity with metallic materials. [ABSTRACT FROM AUTHOR]

Results of experiments on small-angle scattering of neutrons and X-rays on colloidal suspensions with anisometric barium hexaferrite nanoparticles in an aqueous solvent are reported. It has been shown that the preparation according to a new method produces fairly stable colloids with two types of particles of reproducible morphology and size: large lamellar-shaped particles (~100 nm) with a thickness of ~7 nm and small isometric particles with a size of ~6 nm. [ABSTRACT FROM AUTHOR]

In helimagnetic metals, ac current-driven spin motions can generate emergent electric fields acting on conduction electrons, leading to emergent electromagnetic induction (EEMI). Recent experiments reveal the EEMI signal generally shows a strongly current-nonlinear response. In this study, we investigate the EEMI of Tb5Sb3, a short-period helimagnet. Using small angle neutron scattering we show that Tb5Sb3 hosts highly disordered helimagnetism with a distribution of spin-helix periodicity. The current-nonlinear dynamics of the disordered spin helix in Tb5Sb3 indeed shows up as the nonlinear electrical resistivity (real part of ac resistivity), and even more clearly as a nonlinear and huge EEMI (imaginary part of ac resistivity) response. The magnitude of the EEMI reaches as large as several tens of μH for Tb5Sb3 devices on the scale of several tens of μm, originating to noncollinear spin textures possibly even without long-range helimagnetic order. Ac current-driven spin motions in helimagnetic metals can generate emergent electric fields acting on conduction electrons, leading to emergent electromagnetic induction (EEMI). In this study, we revealed that a short-period helimagnet Tb5Sb3 may have disordered spin helix structure and provides large EEMI. [ABSTRACT FROM AUTHOR]

Dual networks formed by entangled polymer chains and wormlike surfactant micelles have attracted increasing interest in their application as thickeners in various fields since they combine the advantages of both polymer- and surfactant-based fluids. In particular, such polymer-surfactant mixtures are of great interest as novel hydraulic fracturing fluids with enhanced properties. In this study, we demonstrated the effect of the chemical composition of an uncharged polymer poly(vinyl alcohol) (PVA) and pH on the rheological properties and structure of its mixtures with a cationic surfactant erucyl bis(hydroxyethyl)methylammonium chloride already exploited in fracturing operations. Using a combination of several complementary techniques (rheometry, cryo-transmission electron microscopy, small-angle neutron scattering, and nuclear magnetic resonance spectroscopy), we showed that a small number of residual acetate groups (2–12.7 mol%) in PVA could significantly reduce the viscosity of the mixed system. This result was attributed to the incorporation of acetate groups in the corona of the micellar aggregates, decreasing the molecular packing parameter and thereby inducing the shortening of worm-like micelles. When these groups are removed by hydrolysis at a pH higher than 7, viscosity increases by five orders of magnitude due to the growth of worm-like micelles in length. The findings of this study create pathways for the development of dual semi-interpenetrating polymer-micellar networks, which are highly desired by the petroleum industry. [ABSTRACT FROM AUTHOR]

Photolabile (µ-peroxo)(µ-hydroxo)bis[bis(bipyridyl)-cobalt-based caged oxygen compounds have been synthesized and characterized by optical absorbance spectroscopy, X-ray crystallography. and the quantum yield and redox stability were investigated. Furthermore, conditions were established where redox incompatibilities encountered between caged oxygen compounds and oxygen-dependant cytochrome c oxidase (CcO) could be circumvented. Herein, we demonstrate that millimolar concentrations of molecular oxygen can be released from a caged oxygen compound with spatio-temporal control upon laser excitation, triggering enzymatic turnover in cytochrome c oxidase. Spectroscopic evidence confirms the attainment of a homogeneous reaction initiation at concentrations and conditions relevant for further crystallography studies. This was demonstrated by the oxidizing microcrystals of reduced CcO by liberation of millimolar concentrations of molecular oxygen from a caged oxygen compound. We believe this will expand the scope of available techniques for the detailed investigation of oxygen-dependant enzymes with its native substrate and facilitate further time-resolved X-ray based studies such as wide/small angle X-ray scattering and serial femtosecond crystallography. [ABSTRACT FROM AUTHOR]

Ion‐exchange materials are commonly composed of polyelectrolyte networks in which crosslinking preserves macroscopic geometry and prevents dissolution in aqueous conditions. However, crosslinking inherently inhibits efficient swelling and mass transfer during ion‐exchange processes. Herein, a one‐step polymerization‐induced microphase separation (PIMS) approach directly using water and linear polystyrene sulfonate macromolecular chain transfer agents (macroCTAs) is developed to engineer bicontinuous nanostructured materials with rapid ion‐exchange capabilities. These materials feature water‐swollen liquid‐like polyelectrolyte domain embedded in a rigid polymer network, where the domain spacing, as determined by small angle X‐ray scattering experiments, is precisely modulated between 15 and 89 nm based on the molecular weight of the macroCTA used. As the bicontinuous nanostructure enables rapid mass transfer throughout the material bulk, the 3D printed PIMS materials are able to rapidly remove model charged dyes from solution, exhibiting a mass transfer coefficient ≈35 times higher than commercially available counterparts. This work is the first example demonstrating direct self‐assembly of water into continuous nanochannels in a well‐controlled manner as supported by time‐resolved small‐angle neutron scattering experiments during polymerization. Moreover, these nanostructured materials are readily produced using commercially available 3D printers, enabling unparalleled high‐resolution fabrication of targeted complex structures, including accurately controllable macroporous geometries and surface areas. [ABSTRACT FROM AUTHOR]

In this work, we studied TEMPO-oxidized cellulose nanofibril (OCNF) suspensions in the presence of diverse surfactants. Using a combination of small angle neutron scattering (SANS) and rheology, we compared the physical properties of the suspensions with their structural behavior. Four surfactants were studied, all with the same hydrophobic tail length but different headgroups: hexaethylene glycol mono-n-dodecyl ether (C12EO6, nonionic), sodium dodecyl sulfate (SDS, anionic), cocamidopropyl betaine (CapB, zwitterionic), and dodecyltrimethylammonium bromide (DTAB, cationic). Contrast variation SANS studies using deuterated version of C12EO6 or SDS, or by varying the D2O/H2O ratio of the suspensions (with CapB), allowed focusing only on the structural properties of OCNFs or surfactant micelles. We showed that, in the concentration range studied, for C12EO6, although the nanofibrils are concentrated thanks to an excluded volume effect observed in SANS, the rheological properties of the suspensions are not affected. Addition of SDS or CapB induces gelation for surfactant concentrations superior to the critical micellar concentration (CMC). SANS results show that attractive interactions between OCNFs arise in the presence of these anionic or zwitterionic surfactants, hinting at depletion attraction as the main mechanism of gelation. Finally, addition of small amounts of DTAB (below the CMC) allows formation of a tough gel by adsorbing onto the OCNF surface. [ABSTRACT FROM AUTHOR]

The evolution of phase behavior and interactions in anionic silica nanoparticles (Ludox HS40), surfactants [non-ionic decaethylene glycol mono-dodecyl ether (C12E10) and anionic sodium dodecyl sulfate (SDS)], and nanoparticle–surfactant solutions in the presence of salt (NaCl) has been studied using small-angle neutron scattering and dynamic light scattering. In an anionic silica nanoparticle solution (1 wt. %), the phase behavior is controlled by salt concentrations (0–1 M) through screening electrostatic interactions. In the case of 1 wt. % surfactant solutions, the anionic SDS surfactant micelles show significant growth upon adding salt, whereas non-ionic surfactant C12E10 micelles remain spherical until a high salt concentration (1 M). In the mixed system of HS40–C12E10, a transition from a highly stable transparent phase to a two-phase turbid system is observed with a small amount of salt addition CS* (∼0.06 M). The single transparent phase of this system corresponds to sterically stabilized micelles-decorated nanoparticles. For the turbid phase, the results are understood in terms of depletion attraction induced by non-adsorption of C12E10 micelles, which explains the appearance of turbidity at a much lower concentration of salt. In the mixed system of similarly charged nanoparticles and micelles (HS40-SDS), the phase behavior is governed by no physical interaction between the components, and salt screens the repulsive interaction among nanoparticles. These results are further utilized to tune multicomponent interactions and phase behavior of nanoparticles with a mixed C12E10-SDS surfactant system in the presence of salt. The mixed surfactants provide tuning of nanoparticle–micelle as well as micelle–micelle interactions to dictate the phase behavior of a nanoparticle–surfactant solution. In these systems, the effective potential can be described by double-Yukawa potential taking account of attractive and repulsive parts at low and intermediate salt concentrations (S*). At high salt concentrations (>CS*), the aggregation of nanoparticles is characterized by fractal aggregates. [ABSTRACT FROM AUTHOR]

We report the first example of magnetic pair distribution function (mPDF) data obtained through the use of neutron polarization analysis. Using the antiferromagnetic semiconductor MnTe as a test case, we present high-quality mPDF data collected on the HYSPEC instrument at the Spallation Neutron Source using longitudinal polarization analysis to isolate the magnetic scattering cross section. Clean mPDF patterns are obtained for MnTe in both the magnetically ordered state and the correlated paramagnet state, where only short-range magnetic order is present. We also demonstrate significant improvement in the quality of high-resolution mPDF data through the application of ad hoc corrections that require only minimal human input, minimizing potential sources of error in the data processing procedure. We briefly discuss the current limitations and future outlook of mPDF analysis using polarized neutrons. Overall, this work provides a useful benchmark for mPDF analysis using polarized neutrons and provides an encouraging picture of the potential for routine collection of high-quality mPDF data. [ABSTRACT FROM AUTHOR]

The response of soft colloids to crowding depends sensitively on the particles' compressibility. Nanogel suspensions provide model systems that are often studied to better understand the properties of soft materials and complex fluids from the formation of colloidal crystals to the flow of viruses, blood, or platelet cells in the body. Large spherical nanogels, when embedded in a matrix of smaller nanogels, have the unique ability to spontaneously deswell to match their size to that of the nanogel composing the matrix. In contrast to hard colloids, this self-healing mechanism allows for crystal formation without giving rise to point defects or dislocations. Here, we show that anisotropic ellipsoidal nanogels adapt both their size and their shape depending on the nature of the particles composing the matrix in which they are embedded. Using small-angle neutron scattering with contrast variation, we show that ellipsoidal nanogels become spherical when embedded in a matrix of spherical nanogels. In contrast, the anisotropy of the ellipsoid is enhanced when they are embedded in a matrix of anisotropic nanogels. Our experimental data are supported by Monte Carlo simulations that reproduce the trend of decreasing aspect ratio of ellipsoidal nanogels with increasing crowding by a matrix of spherical nanogels. [ABSTRACT FROM AUTHOR]

This paper presents an experimental investigation of irradiation-induced evolutions in three different oxide dispersion strengthening (ODS) alloys. High-dose, dual beam Ni–He ion irradiations are carried out up to 700 °C. The significant dose-dependent changes in the ODS particle size and number density are documented and interpreted in terms of specific point defect transport mechanisms, from small angle neutron scattering, TEM, and pulsed low-energy positron system measurements combined. The corresponding micro-mechanical changes in the alloys are evaluated based on the indentation response, which is, in turn, interpreted in terms of related, sub-grain plasticity mechanisms. The room temperature tests (without dwell time) reveal that the microscale work-hardening rate increases with decreasing the particle number density and pronounced strain localization effect. The elevated temperature tests (up to 600 °C, with dwell time) show that the indentation creep compliance is mostly temperature-independent after irradiation up to 25 dpa at Tirr = 500 °C and markedly temperature-dependent, after irradiation beyond 40 dpa at Tirr = 600 °C. This effect is ascribed to particular creep mechanisms associated with indent-induced plasticity, i.e., high stress and high dislocation density conditions. [ABSTRACT FROM AUTHOR]

Can liquid-like and gas-like states be distinguished beyond the critical point, where the liquid--gas phase transition no longer exists and conventionally only a single supercritical fluid phase is defined? Recent experiments and simulations report strong evidence of dynamical crossovers above the critical temperature and pressure. Despite using different criteria, many existing theoretical explanations consider a single crossover line separating liquid-like and gas-like states in the supercritical fluid phase. We argue that such a single-line scenario is inconsistent with the supercritical behavior of the Ising model, which has two crossover lines due to its symmetry, violating the universality principle of critical phenomena. To reconcile the inconsistency, we define two thermodynamic crossover lines in supercritical fluids as boundaries of liquid-like, indistinguishable, and gas-like states. Near the critical point, the two crossover lines follow critical scalings with exponents of the Ising universality class, supported by calculations of theoretical models and analyses of experimental data from the standard database. The upper line agrees with crossovers independently estimated from the inelastic X-ray scattering data of supercritical argon, and from the small-angle neutron scattering data of supercritical carbon dioxide. The lower line is verified by the equation of states for the compressibility factor. This work provides a fundamental framework for understanding supercritical physics in general phase transitions. [ABSTRACT FROM AUTHOR]

In the course of the Horizon 2020 project HighNESS, a second moderator concept has been developed for the European Spallation Source, which complements the currently built moderator and is optimized for high intensity with a large viewable surface area. In this work we introduce conceptual designs for neutron instruments for condensed matter research designed to make optimal use of the capabilities of this moderator. The focus is on two concepts for small-angle neutron scattering and one neutron imaging instrument, which are intended to complement corresponding instruments that are already under construction at the European Spallation Source. One small-angle neutron scattering instrument concept resembles a conventional pinhole collimator geometry and aims to profit from the proposed second moderator by enabling to illuminate larger samples and providing particularly high resolution, drawing on a 30 m collimation and corresponding detector distance. A second small-angle neutron scattering instrument concept adopts nested mirror optics that enable to efficiently exploit the large moderator size and provide high resolution by focusing on the detector. The neutron imaging instrument concept is a typical pinhole instrument that can be found at continuous sources and draws on the corresponding strengths of high flux and large homogeneous fields-of-view, while still providing moderate wavelength resolution for advanced imaging methods. [ABSTRACT FROM AUTHOR]

The use of block copolymers to compatibilize immiscible plastics is an important strategy for upcycling municipal plastic wastes. Multiblock copolymers (MBCPs) have been proven to be more effective compatibilizers than di- and tri-block copolymers. Herein, we probe the interface structure of an effective multiblock copolymer compatibilizer and compare that with an ineffective triblock copolymer (TBCP). The interface activity of the compatibilizers is understood through a combination of small-angle neutron and x-ray scatterings (SANS and SAXS), by using deuterated homopolymer matrix and protonated compatibilizers. SANS analysis suggests that the MBCP forms a thicker interface layer (7-9 nm) than the TBCP (0-4 nm). In addition, SANS data seems to point to a stronger tendency for the MBCP to locate at the interface. Both factors contribute to its effectiveness at compatibilizing immiscible homopolymers. [ABSTRACT FROM AUTHOR]

Human immunoglobulin G (IgG) exists as four subclasses IgG1-4, each of which has two Fab subunits joined by two hinges to a Fc subunit. IgG4 has the shortest hinge with 12 residues. The Fc subunit has two glycan chains, but the importance of glycosylation is not fully understood in IgG4. Here, to evaluate the stability and structure of non-glycosylated IgG4, we performed a multidisciplinary structural study of glycosylated and deglycosylated human IgG4 A33 for comparison with our similar study of human IgG1 A33. After deglycosylation, IgG4 was found to be monomeric by analytical ultracentrifugation; its sedimentation coefficient of 6.52 S was reduced by 0.27 S in reflection of its lower mass. X-ray and neutron solution scattering showed that the overall Guinier radius of gyration RG and its cross-sectional values after deglycosylation were almost unchanged. In the P(r) distance distribution curves, the two M1 and M2 peaks that monitor the two most common distances within IgG4 were unchanged following deglycosylation. Further insight from Monte Carlo simulations for glycosylated and deglycosylated IgG4 came from 111,382 and 117,135 possible structures respectively. Their comparison to the X-ray and neutron scattering curves identified several hundred best-fit models for both forms of IgG4. Principal component analyses showed that glycosylated and deglycosylated IgG4 exhibited different conformations from each other. Within the constraint of unchanged RG and M1-M2 values, the glycosylated IgG4 models showed more restricted Fc conformations compared to deglycosylated IgG4, but no other changes. Kratky plots supported this interpretation of greater disorder upon deglycosylation, also observed in IgG1. Overall, these more variable Fc conformations may demonstrate a generalisable impact of deglycosylation on Fc structures, but with no large conformational changes in IgG4 unlike those seen in IgG1. [ABSTRACT FROM AUTHOR]

Dynamic neutron scattering probes unique nanoscale dynamics via measurement of energy exchanged between a sample and the neutrons. The two spectrometers that investigate processes with characteristic times around a nanosecond are backscattering (BS) and neutron spin-echo (NSE). We present a new method for measuring dynamics using an oscillating cosine-like energy-distribution neutron-package at the sample and measure solely the portion scattered into the elastic line. This portion corresponds to elastically scattered neutrons and, in addition, inelastic components that are scattered with a probability directly proportional to the cosine Fourier-coefficients of the exchanged-energy spectrum. The counts at the detector thus correspond to the van Hove intermediate scattering function. We denote this new method as "Fourier transform neutron scattering" (FTNS), it being broadly analogous to IR and Raman spectroscopies. Here, the realization of such a concept is investigated using an oscillating incident beam produced via a precession method and a secondary spectrometer identical to a BS instrument using crystal analyzers. The instrument is denoted "Modulated Intensity with Diffraction Analysis Spectrometer" (MIDAS). However, simpler approaches, e.g., choppers, may also be used for an FTNS instrument. The theory behind MIDAS is presented, supported by numerical calculations and in silico experiments. Finally, we present a Monte Carlo simulation to compare BS and MIDAS spectrometers. This shows that MIDAS has almost 100 times more incident flux than standard BS, but due to the better signal-to-noise ratio of BS, the final information acquisition rate gain of MIDAS is approximately a factor of 2. [ABSTRACT FROM AUTHOR]

The fractal structure of porous carbon material doped with manganese before and after laser irradiation was investigated by the method of small-angle X-ray scattering. The type of fractal aggregate and the value of its fractal dimension D, which is 1.4–1.5 for non-irradiated samples of the first level of fractal aggregation and 2.7 for irradiated samples of the second level of fractal aggregation, were determined. [ABSTRACT FROM AUTHOR]

Analysis of small‐angle scattering (SAS) data requires intensive modeling to infer and characterize the structures present in a sample. This iterative improvement of models is a time‐consuming process. Presented here is Scattering Equation Builder (SEB), a C++ library that derives exact analytic expressions for the form factors of complex composite structures. The user writes a small program that specifies how the sub‐units should be linked to form a composite structure and calls SEB to obtain an expression for the form factor. SEB supports e.g. Gaussian polymer chains and loops, thin rods and circles, solid spheres, spherical shells and cylinders, and many different options for how these can be linked together. The formalism behind SEB is presented and simple case studies are given, such as block copolymers with different types of linkage, as well as more complex examples, such as a random walk model of 100 linked sub‐units, dendrimers, polymers and rods attached to the surfaces of geometric objects, and finally the scattering from a linear chain of five stars, where each star is built up of four diblock copolymers. These examples illustrate how SEB can be used to develop complex models and hence reduce the cost of analyzing SAS data. [ABSTRACT FROM AUTHOR]

Mesoporous polysaccharide aerogels are versatile functional materials for drug delivery and wound dressing devices. The hydration and wetting of these aerogels control their application‐related performance, e.g. the release of encapsulated drugs. Reported here is a detailed small‐angle neutron scattering (SANS) analysis of the hydration mechanism of a calcium alginate aerogel, based on mathematical modelling of the scattering. The model accounts for the hierarchical structure of the material comprising a mesoporous structure, the solid skeleton of which is made up of water‐swollen polymers. At large scale, the mesoporous structure is modelled as a random collection of elongated cylinders, which grow in size as they absorb water and aggregate. The small‐scale inner structure of the skeleton is described as a Boolean model of polymer coils, which captures the progressive transition from a dense dry polymer to a fully hydrated gel. Using known physico‐chemical characteristics of the alginate, the SANS data are fitted using the size of the cylinders as the only adjustable parameter. The alginate aerogel maintains a nanometre‐scale, albeit altered, structure for low water contents but it collapses into micrometre‐sized structures when the water content approaches one gram of water per gram of alginate. In addition to the wetting of aerogels, the model might be useful for the small‐angle scattering analysis of the supercritical drying of gels. [ABSTRACT FROM AUTHOR]

Hierarchical structures and heterogeneous materials are found in many natural and engineered systems including additive manufacturing, alternative energy, biology and polymer science. Though the structure–function relationship is important for developing more advanced materials, structural characterization over broad length scales often requires multiple complementary measurements. Neutron far‐field interferometry aims to enable multi‐scale characterization by combining the best of neutron imaging with small‐angle neutron scattering (SANS) via dark‐field imaging. The microstructure, nominally from 1 nm to 10 µm, is averaged over each volume element ∼(50 µm)3 in the sample, resulting in a 'tomographic SANS' measurement. Unlike in small‐angle scattering, there are few analytical models to fit dark‐field imaging data to extract properties of the microstructure. Fortunately, the dark field and SANS are related through a single Hankel transform. In this work, we discuss the development of a Python‐based library, correlogram‐tools, that makes use of existing small‐angle scattering models and a numerical implementation of the Hankel transform to simulate dark‐field interferometry data. We demonstrate how this software can be used to inform researchers of viable sample sets for interferometry experiments, analyze interferometry data, and simulate raw and reconstructed interferometry images for the training of more advanced segmentation models and analysis protocols. [ABSTRACT FROM AUTHOR]

A high‐temperature high‐pressure cell equipped with a metallic window was developed for small‐angle neutron scattering (SANS). The feasibility of a Ti alloy (Ti–6Al–4V) as a candidate window material was assessed, considering its mechanical strength and neutron characteristics. SANS experiments should be conducted using safe and reliable materials without risk of window damage or leakage of the activated samples due to window breakage. SANS profiles measured for supercritical heavy water showed maximum scattering intensity at temperatures and pressures near the critical density. Additionally, the utility of the cell for observations of the decomposition of plastic in supercritical water is presented. The cell facilitates analysis of reaction mechanisms under sub‐ and supercritical conditions, which could provide detailed information to aid efficient decomposition and recycling, contributing to a sustainable society. [ABSTRACT FROM AUTHOR]

A multi‐slit very small angle neutron scattering (MS‐VSANS) instrument has been finally accepted at the China Spallation Neutron Source (CSNS). It is the first spallation neutron source based VSANS instrument. MS‐VSANS has a good signal‐to‐noise ratio and can cover a wide scattering vector magnitude range from 0.00028 to 1.4 Å−1. In its primary flight path, a combined curved multichannel beam bender and sections of rotary exchange drums are installed to minimize the background downstream of the instrument. An exchangeable multi‐slit beam focusing system is integrated into the primary flight path, enabling access to a minimum scattering vector magnitude of 0.00028 Å−1. MS‐VSANS has three modes, namely conventional SANS, polarizing SANS and VSANS modes. In the SANS mode, three motorized high‐efficiency 3He tube detectors inside the detector tank cover scattering angles from 0.12 to 35° simultaneously. In the polarizing SANS mode, a double‐V cavity provides highly polarized neutrons and a high‐efficiency 3He polarization analyser allows full polarization analysis. In the VSANS mode, an innovative high‐resolution gas electron multiplier detector covers scattering angles from 0.016 to 0.447°. The absolute scattering intensities of a selection of standard samples are obtained using the direct‐beam technique; the effectiveness of this method is verified by testing the standard samples and comparing the results with those from a benchmark instrument. The MS‐VSANS instrument is designed to be flexible and versatile and all the design goals have been achieved. [ABSTRACT FROM AUTHOR]

Post-mechanical plating heat treatment induces the formation of an iron–zinc (Fe-Zn) rich intermetallic layer between Zn and ZnSn coatings and the substrate. Despite increased outer coating porosity, the corrosion resistance of Zn- and ZnSn-coated steels significantly improves after heat treatment, attributed to the formation of intermetallic phases. This study employs small- and ultra-small-angle neutron scattering (SANS and USANS) to investigate the behavior of mechanically plated Zn and ZnSn coatings pre- and post-heat treatment. In the presence of a relatively thick steel substrate, strong multiple scattering occurs. However, by identifying a specific high Q-range region where multiple scattering is negligible, we reveal small but significant differences. Porod's slopes, denoted as 'n', are calculated for uncoated steel, and Zn- and ZnSn-coated steels (both with and without heat treatment). These slope values reflect contributions from different interfaces on the particles' surface roughness. Despite the challenges of multiple scattering, our findings offer valuable insights into coatings' behavior. The study lays a foundation for future investigations into coating behavior using SANS/USANS techniques. [ABSTRACT FROM AUTHOR]

Besides a well-adapted structure, proteins often require a specific dynamical flexibility to undergo conformational changes in order to carry out their function. The latter dynamics can be directly measured by quasielastic neutron scattering as demonstrated here for three variants of the orange carotenoid protein (OCP), which plays a pivotal role in the protection of the cyanobacterial photosynthetic apparatus against photodamage. We investigate the dynamics of the structurally compact, dark-adapted wild type of OCP (OCPwt) in comparison with that of two mutant forms. The latter two mutants differ preferentially in their structures. The orange mutant OCP-W288A is assumed to have a compact structure and to preferentially bind the pigment echinenone, while the pink mutant OCP-W288A appears to represent the more elongated structure of the red active state of OCP binding the carotenoid canthaxanthin, respectively. The study reveals three major findings: (a) the dynamics of the red active state of OCP is significantly enhanced due to a larger number of protein residues being exposed to the solvent at the surface of the protein; (b) the dynamics of all OCP forms appear to be suppressed upon the freezing of the solvent, which is most likely due to an ice-induced aggregation of the proteins; and (c) the wild type and the compact mutant exhibit different dynamics attributed to a missing H-bond between the pigment and protein, resulting a destabilization of the surrounding protein. [ABSTRACT FROM AUTHOR]