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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Neutron Spin–Echo Studies of the Structural Relaxation of Network Liquid ZnCl 2 at the Structure Factor Primary Peak and Prepeak

Using neutron spin-echo spectroscopy, we studied the microscopic structural relaxation of a prototypical network ionic liquid ZnCl 2 at the structure factor primary peak and pre-peak. The results show that the relaxation at the primary peak is faster than the pre-peak and the activation energy is ≈33% higher. Stretched exponential relaxation is observed even at temperatures well above the melting point T m . Surprisingly, the stretching exponent shows a rapid increase upon cooling, especially at the primary peak, where it changes from stretched exponential to simple exponential on approaching T m . Furthermore, these results suggest that the appearance of glassy dynamics typical of the supercooled state even in the equilibrium liquid state of ZnCl 2 as well as the difference of activation energy at the two investigated length scales are related to the formation of network structure on cooling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Bayesian Gaussian process inference for neutron spin echo measurement

Neutron spin echo (NSE) spectroscopy provides unique access to microscopic dynamics, but its application is often constrained by low neutron flux, long acquisition times, and significant noise. Here, we present a Bayesian inference approach based on Gaussian process regression (GPR) to reconstruct high-quality spin echo signals from sparse and noisy data by exploiting correlations in reciprocal space. Benchmarks on synthetic datasets and validation with experimental NSE measurements of dendrimers show that GPR suppresses noise, interpolates missing intensity values, and accommodates irregular observations. The method improves accuracy, shortens acquisition times, and enables high-throughput and real-time studies. Beyond NSE, the framework is broadly applicable to other low signal-to-noise ratio scattering techniques, thereby extending the scope of neutron spectroscopy.

Tung, Chi-Huan [Oak Ridge National Laboratory (ORN↗
DOE OSTI2026

Neutron spin echo spectroscopy

Neutron spin echo (NSE) spectroscopy is a powerful technique used to probe the internal dynamics and diffusion processes within matter, allowing researchers to quantify how materials respond to changes in external conditions. To fully understand the bulk properties of a material, it is often crucial to investigate dynamic processes occurring on nanometre length scales and nanosecond timescales. NSE spectroscopy provides an exceptional capability to measure such dynamics across a broad spectrum of condensed matter systems, ranging from proteins and quantum magnets to catalysts. In this Primer, we present an overview of NSE spectroscopy, highlighting the instruments used, methods of data collection and representative applications in both soft-matter and hard-matter sciences.

Czakkel, Orsolya [Institut Max von Laue-Paul Lange↗
DOE OSTI2023

Correcting aberrations of a transverse-field neutron resonance spin echo instrument

Neutron resonance spin echo (NRSE) technique has the potential to increase the Fourier time and energy resolution in neutron scattering by using radio frequency (rf) neutron spin-flippers. However, aberrations arising from variations in the neutron path length between the rf flippers reduce the polarization. Here, we develop and test a transverse static-field magnet, a series of which are placed between the rf flippers, to correct for these aberrations. The prototype correction magnet was both simulated in an NRSE beamline using McStas, a Monte Carlo neutron ray-tracing software package, and measured using neutrons. The results from the prototype demonstrate that this static-field design corrects for transverse-field NRSE aberrations.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Data Reproducibility of Spin-Echo Small-Angle Neutron Scattering Instruments

Spin-echo small-angle neutron scattering (SESANS) is a unique method to measure structures of materials in real space with length scales from ∼ 30 μm to ∼20 µm. As shown in Figure 1, the accessible length scale of SESANS is given by its ability to encode the momentum transfer into the Larmor phase, namely Φ = $\vec{𝛿}$ ⋅ $\vec{𝑄}$, where $\vec{𝑄}$ is the momentum transfer and $\vec{𝛿}$ is the encoding vector of the setup and its projection along Q (δQ) is called spin-echo length (SEL). The spin echo length, which is synonymous with the spatial correlation distance probed, is defined as the following 𝛿𝑄 ∝ 𝜆 2 𝐵𝐿cot𝜃 where 𝜆 is neutron wavelength, B is magnetic field, L is length of the parallelogram magnetic field region, and 𝜃 is the angle between the inclined magnetic field boundary and the beam direction, as shown in Figure 1. The result of the SESANS experiment is a Hankel transformation of the SANS scattering function I(Q), which yields the correlation function of the sample in real space.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Oak Ridge National Laboratory Neutron Spin Echo Beamline on NB-2

Neutron Spin Echo (NSE) spectroscopy uniquely measures the Q-dependence of slow relaxation dynamics, and having such a machine at HFIR will advance polarized neutron spectroscopy and promote the study of biophysical and energy materials using neutrons. The 2018 Instrument Advisory Board (IAB) advises Neutron Sciences Directorate, ORNL to upgrade the cold neutron delivery system at HFIR, addressing geometrical challenges in neutron transfer from the bright cold source. This is being optimized now: the entrance to the guide system is moving closer to the source, and more guides are being added. However, there are still significant challenges to making the cold flux at the sample world-class. With the proposed guide system, NB-2 can deliver more than 10 6 polarized neutrons per cm 2 /sec below 8Å, and probably 10Å with further optimization. With no potential for running user experiments with neutrons longer than 15Å, the utility of such a machine for biological studies is limited. However, there is a large demand for this class of spectrometer in materials science, chemical engineering, and nanotechnology. Workshops held over the past decade and the three-source vision have highlighted the community's need for a low-angle, high-energy resolution spectrometer at HFIR. A detailed design study of this spectrometer is needed, focusing on optimizing the neutron delivery system for SANS-type studies. This neutron spectrometer would complement studies already performed on both SNSNSE and BASIS by overlapping and extend the dynamic range accessible, while acknowledging the proposed machine, EXPANSE, at the Second Target Station. Two technologies currently exist for such a spectrometer: traditional DC solenoids like those on BL-15 at SNS and IN15 at the ILL, and RF-flipper-based machines similar to RESEDA at FRMII. Either instrument would satisfy the scientific justification. However, there are strong business and scientific cases to utilize the thermal flux, the resonant expertise developed at ORNL, and the potential to utilize an entangled beam of neutrons to probe quantum matter by adopting the neutron resonant spin-echo configuration.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Spin echo small-angle neutron scattering using superconducting magnetic Wollaston prisms

Here, we show the implementation of superconducting magnetic Wollaston prisms for spin echo small-angle neutron scattering. Two calibration methods for the spin echo length are presented: one utilizing spin echo modulated small-angle neutron scattering and the other based on the neutron refraction by quartz wedge crystals. Our experimental results with polystyrene nano-particle colloids showcase the system’s efficacy in measuring both dilute and concentrated colloidal systems. Additionally, investigations into the pore diameter and pitch of a nano-porous alumina membrane demonstrate its capability in analyzing nano-porous materials. Furthermore, we discuss potential optimizations to further extend the accessible spin echo length.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Experimental evidence for the two-path description of neutron spin echo

Here, we describe an experiment that strongly supports a two-path interferometric model in which the spin-up and spin-down components of each neutron propagate coherently along spatially separated parallel paths in a typical neutron spin-echo small-angle scattering (SESANS) experiment. Specifically, we show that the usual semi-classical, single-path treatment of Larmor precession of a polarized neutron in an external magnetic field predicts a damping as a function of the spin-echo length of the SESANS signal obtained with a periodic phase grating when the transverse width of the neutron wave packet is finite. However, no such damping is observed experimentally, implying either that the Larmor model is incorrect or that the transverse extent of the wave packet is very large. In contrast, we demonstrate theoretically that a quantum-mechanical interferometric model in which the two mode-entangled (i.e., intraparticle entangled) spin states of a single neutron are separated in space when they interact with the grating accurately predicts the measured SESANS signal, which is independent of the wave packet width.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Scintillator-based Timepix3 detector for neutron spin-echo techniques using intensity modulation

A scintillator-based Timepix3 (TPX3) detector was developed to resolve the high-frequency modulation of a neutron beam in both spatial and temporal domains, as required for neutron spin-echo experiments. In this system, light from a scintillator is manipulated with an optical lens and is intensified using an image intensifier, making it detectable with the TPX3 chip. Two different scintillators, namely, 6 LiF:ZnS(Ag) and 6 LiI:Eu, were investigated to achieve the high resolution needed for spin-echo modulated small-angle neutron scattering (SEMSANS) and modulation of intensity with zero effort (MIEZE). The methodology for conducting event-mode analysis is described, including the optimization of clustering parameters for both scintillators. The detector with both scintillators was characterized with respect to detection efficiency, spatial resolution, count rate, uniformity, and γ-sensitivity. The 6 LiF:ZnS(Ag) scintillator-based detector achieved a spatial resolution of 200 μm and a count rate capability of 1.1 × 10 5 cps, while the 6 LiI:Eu scintillator-based detector demonstrated a spatial resolution of 250 μm and a count rate capability exceeding 2.9 × 10 5 cps. Furthermore, high-frequency intensity modulations in both spatial and temporal domains were successfully observed, confirming the suitability of this detector for SEMSANS and MIEZE techniques, respectively.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

EXPANSE: A time-of-flight EXPanded Angle Neutron Spin Echo spectrometer at the Second Target Station of the Spallation Neutron Source

EXPANSE, an EXPanded Angle Neutron Spin Echo instrument, has been proposed and selected as one of the first suite of instruments to be built at the Second Target Station of the Spallation Neutron Source at the Oak Ridge National Laboratory. This instrument is designed to address scientific problems that involve high-energy resolution (neV– μeV) of dynamic processes in a wide range of materials. The wide-angle detector banks of EXPANSE provide coverage of nearly two orders of magnitude in scattering wavenumbers, and the wide wavelength band affords approximately four orders of magnitude in Fourier times. This instrument will offer unique capabilities that are not available in the currently existing neutron scattering instruments in the United States. Specifically, EXPANSE will enable direct measurements of slow dynamics in the time domain over wide Q-ranges simultaneously and will also enable time-resolved spectroscopic studies. The instrument is expected to contribute to a diverse range of science areas, including soft matter, polymers, biological materials, liquids and glasses, energy materials, unconventional magnets, and quantum materials.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Hindered segmental dynamics in associative protein hydrogels studied by neutron spin-echo spectroscopy

Transient binding between associating macromolecules can cause qualitative changes to chain dynamics, including modes of conformational relaxation and diffusion, through tethering effects imparted by long-range connectivity. Here, in this work, the role of binding on short-time segmental dynamics in associative polymer gels is investigated by neutron spin-echo (NSE) measurements on a class of model artificial coiled-coil proteins with a systematically varied architecture, probing timescales of 0.1–130 ns, and length scales close to the molecular radius of gyration. The results illustrate effects of transient cross-linking on chain dynamics on different timescales, manifested in changes in segmental relaxation behavior with variations in strand length, chain concentration, and sticker distribution (endblock- vs midblock-functionalized). In all gels, a short-time cooperative diffusion mode is seen over all wave vectors, analogous to a semidilute solution, with no transitions seen at any known structural length scale. However, the diffusion coefficients are found to decrease with increasing junction density across all gels, with the strand length and number of stickers per chain in each gel appearing to play a relatively minor role. The slowing of cooperative diffusion with junction density contrasts with classical predictions of a greater restoring force for fluctuation dissipation due to the increased elasticity, suggesting additional effects of the coiled-coil junctions such as an enhancement in local viscosity that slows dynamics. Notably, the relaxation rates for all gels can be rescaled by the interjunction spacing inferred from small-angle neutron scattering, where they collapse onto a master curve suggestive of self-similar dynamics even in networks with different strand lengths and chain architectures. On long timescales (but shorter than the junction exchange time), a slowing of network relaxation is observed, resulting in a nondecaying plateau in the spin-echo amplitude attributed to a freezing of chain dynamics due to tethering. A characteristic length scale corresponding to the extent of dynamic fluctuations is estimated for each gel, which appears to be smaller than the interjunction spacing but similar to the correlation blob size of the overlapping strands. The results indicate an important role of transient binding on molecular-scale dynamics in associative polymer gels, even on timescales shorter than the junction exchange time, in addition to its effects on long-range self-diffusion previously observed.

36 MATERIALS SCIENCE↗
DOE OSTI2025

15 years of spin-echo spectroscopy at SNS-NSE: Looking back and looking forward

High-resolution neutron spin echo (NSE) spectroscopy offers unique insights into the mobility of molecular (sub)structures excited by thermal fluctuations (i.e., Brownian motion) of “soft matter” as polymers in solution and in the melt, in biological matter (e.g., protein motions), membranes, and glasses. The ability to tag substructures using H, D contrast variation to resolve the relevant timescales of dynamics on selected molecular items in liquids, soft matter, and melts is a significant advantage of NSE. Also slow magnetic fluctuations on molecular length scales in the range of nanoseconds, e.g., in spin glasses or topological spin structures, can be accessed. This paper reviews the highlights and peculiarities of the SNS-NSE, based at the pulsed neutron source SNS, during its first 1.5 decades of operation. An outlook and perspectives of research in the domain of high-resolution spectroscopy is given.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Dynamics of Bottlebrush Polymers in Solution by Neutron Spin Echo Spectroscopy

In this work, we present dynamical and morphological studies on poly(dimethylsiloxane) (PDMS)-based bottlebrush polymers in solution. A combination of small-angle neutron scattering (SANS), pulsed field gradient nuclear magnetic resonance (PFG NMR), and neutron spin echo (NSE) spectroscopy was used to identify structural changes inherent in changing the side-chain length while keeping the backbone constant. These morphological changes are mirrored in the diffusion coefficient determined by PFG NMR, resulting in two coefficients for the elongated and one for the more spherical sample. Faster motions are tracked by NSE using the advantage of time- and length-scale resolutions with the diffusion coefficient predetermined by PFG NMR. Hereby, the sample with short side chains relaxes like wormlike micelles considering the longitudinal direction, whereas the dynamics along the radial extension shows a much stronger Q-dependence as known from any theory. The dynamical behavior within the blob region, covered with the more spherical sample, follows the predictions of Zimm as well as of Zilman and Granek (ZG).

36 MATERIALS SCIENCE↗
DOE OSTI2022

Quick Guide for SNS-NSE Reduction Software DrSpine (Data Reduction for Spin Echo)

This is a general guide to quick access the most common commands for DrSpine (Data Reduction for Spin Echo) data reduction software of the SNS-NSE spectrometer. Over the length of the manuscript the symbol “ $ “ represents the OS shell prompt, i.e., the beginning of a command line in a shell terminal, while the symbol “-->” represents the beginning of a command line in the DrSpine reduction software, after the activation of the reduction environment.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Study of Protein Dynamics via Neutron Spin Echo Spectroscopy

Most human body proteins' activity and functionality are related to configurational changes of entire subdomains within the protein crystal structure. The crystal structures build the basis for any calculation that describes the structure or dynamics of a protein, most of the time with strong geometrical restrictions. However, these restrictions from the crystal structure are not present in the solution. The structure of the proteins in the solution may differ from the crystal due to rearrangements of loops or subdomains on the pico to nanosecond time scale (i.e., the internal protein dynamics time regime). This study describes how slow motions on timescales of several tens of nanoseconds can be accessed using neutron scattering. In particular, the dynamical characterization of two major human proteins, an intrinsically disordered protein that lacks a well-defined secondary structure and a classical antibody protein, is addressed by neutron spin echo spectroscopy (NSE) combined with a wide range of laboratory characterization methods. Further insights into protein domain dynamics were achieved using mathematical modeling to describe the experimental neutron data and determine the crossover between combined diffusive and internal protein motions. The extraction of the internal dynamic contribution to the intermediate scattering function obtained from NSE, including the timescale of the various movements, allows further vision into the mechanical properties of single proteins and the softness of proteins in their nearly natural environment in the crowded protein solution.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

High-resolution neutron spectroscopy using backscattering and neutron spin-echo spectrometers in soft and hard condensed matter

The instruments best suited to performing high-energy-resolution neutron spectroscopy are spin-echo spectrometers and backscattering spectrometers. The development of these experimental techniques dates back almost half a century, and most major neutron scattering facilities operate mature spectrometers of one or both classes. Recent advances in instrumentation and neutron sources are enhancing their performance and expanding their capabilities, with the objective of enabling researchers to tackle new and more complex problems. Finally, in this Technical Review, we assess the current state of the art in high-energy-resolution neutron spectrometers, showcasing their role in the study of nanoscale dynamics in soft and biological materials, as well as disordered magnets.

47 OTHER INSTRUMENTATION↗