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At least 19 records

A science-driven approach to optimize the design for a biological small-angle neutron scattering instrument

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. Further, 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.

47 OTHER INSTRUMENTATION↗

Using an onion like neutron scattering instrument model to quickly optimize design parameters

When designing a neutron scattering instrument, one of the major challenges is the many parameters, generally interdependent, within the optimization. In this work we describe an approach using McStas 1-3 to quickly get a good overview of how changes in instrument parameters will impact neutron scattering instrument performance.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Report on the "Symposium on Advancements in Simulating Neutron Scattering Instruments and Experiments"

An international group of researchers gathered for the “Symposium on Advancements in Simulating Neutron Scattering Instruments and Experiments” at Oak Ridge National Laboratory (ORNL) on October 29- 30, 2024. The symposium highlighted state-of-the-art advancements in neutron scattering instrument simulations and the development of digital twins for scattering instruments. This document summarizes the recurring themes from the 19 talks and discussions. A key focus was on the role of neutronics simulations in the design, analysis, and performance optimization of neutron instruments. Presentations featured the most widely used software packages, such as McStas, McVine, Vitess, and MCNP. Another major theme addressed the analysis and interpretation of experimental neutron data, where materials models and simulations play a critical role. Talks on relevant software tools, including NCrystal, OCLimax, and Paradyse, were delivered by their respective developers. During the symposium, both talks and breakout sessions explored strategies to enhance the interplay between neutronics simulations and materials models. A key question emerged: How can we develop a RealTime Explainable Digital Twin of a neutron scattering experiment? Discussions include the idea that the Digital Twin concept has implications for instrument control and testing. Through this symposium, we gained valuable insights into the challenges and requirements for developing a Real-Time Explainable Digital Twin of a neutron scattering experiment. The discussions and presentations paved the way for future innovations in this rapidly advancing field.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Modern Trends in Neutron Scattering Instrument Technologies

This article reviews some current trends that can be observed in the development of neutron scattering instrument technologies. While the number of neutron scattering facilities worldwide and the number of beam days they offer are largely stable, their scientific impact is increasing through improving instrumental capabilities, new and more versatile instruments, and more efficient data collection protocols. Neutron beams are becoming smaller but more intense, and instruments are being designed to utilize more ‘useful’ neutrons in unit time. This article picks and discusses a few recent developments in the areas of integrated source and instrument design, use of computational tools, new detectors, and experiment automation.

47 OTHER INSTRUMENTATION↗

Characterization of shielding materials used in neutron scattering instrumentation

The nuclear cross-sections of certain isotopes make some materials excellent candidates for neutron shielding. We have performed a series of measurements examining the transmission, reflection, and nuclear Bragg scattering of a series of common materials used for neutron shielding. Here, we concentrate on characterizing the materials most likely to be used in neutron scattering instrumentation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

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↗

Neutron Scattering Instrumentation Research and Development for High Spatial and Temporal Resolution Imaging at Oak Ridge National Laboratory

Neutron scattering facilities like those available at ORNL are enabling the discovery and development of advanced materials include those to be used for next generation energy storage systems. In spite of all the success that neutron imaging has enjoyed in recent years, even higher-impact research is limited by the current temporal and spatial resolution of neutron detection devices. In particular, the spatial resolution of all neutron imaging methods in use and under development is fundamentally limited by the variance introduced by the charged particles emitted from neutron absorption. Thus, we are investigating, designing and demonstrating an array of ~1 micron-sized glass scintillating fibers arranged via photonics-crystal-fiber patterning techniques-- with particle tracking (a must) so that position resolution can be finer than than that allowed by the charged particle ranges. The processes, knowledge and algorithms developed will allow for spatially (1 micron) and time resolved (<100 ns), high throughput neutron transmission imaging in large areas at reasonable costs.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Simulating and benchmarking neutron total scattering instrumentation from inception of events to reduced and fitted data

In the design and realization of modern neutron scattering instrumentation, particularly when designing beamline concepts from the ground up, it is desirable to fully benchmark against realistically simulated data. This is especially true for total scattering beamlines, where the future deliverable data is to be analysed in both reciprocal- and real-space representations, and needs must be carefully balanced to ensure sufficient range, resolution and flux of the instrument. An approach to optimize the design of neutron scattering instrumentation via a workflow including ray-tracing simulations, event-based data reduction, heuristic analysis and fitting against realistically simulated spectra is demonstrated here. The case of the DISCOVER beamline concept at the Spallation Neutron Source is used as an example. The results of the calculations are benchmarked through simulation of existing instrumentation and subsequent direct comparison with measured data. Finally, on the basis of the validated models, the ability to explore design characteristics for future beamline concepts or future instrument improvements is demonstrated through the examples of detector tube size and detector layout.

47 OTHER INSTRUMENTATION↗

Shielding Analyses for SNS Accelerator Power Upgrade

The Proton Power Upgrade (PPU) project [1] at Spallation Neutron Source (SNS) is aiming at increasing the neutron beam intensities at the First Target Station (FTS) and advancing accelerator capability to additionally power a future Second Target Station (STS) [2]. PPU will involve upgrading the SNS accelerator complex to double the currently available proton beam power from 1.4 to 2.8 MW, by increasing the proton beam energy from 1 GeV to 1.3 GeV and by increasing the proton beam current.PPU will enable new science capabilities enhancing the experiment throughput of the 19 existing FTS instruments, which are heavily oversubscribed. STS will include 22 additional neutron scattering instruments. Numerous neutronics analyses are performed to support PPU evaluating the FTS systems for higher beam power and for system upgrades. Part of the PPU scope is an extension of the Ring to Target Beam Transport (RTBT) line, a stub out of the accelerator tunnel for the future Ring to STS Transport (RTST) line[3]. As the RTST tunnel will not be built within the PPU project, the stub will be shielded by a plug, which is planned to be made from regular concrete.In order to provide radiation protection safety, analyses are required to design adequate plug thickness for the stub. The thickness of the stub is driven by the criterion that the area downstream of the plug is “unrestricted access area”, demanding the dose rate downstream the stub be below 0.25 mrem/h at 30 cm from the surface at normal operation and below 20 Rem/hr for accident cases. Additionally, analyses verifying the amount of soil for shielding the accelerator tunnel to the above stated requirements are performed.

Popova, Irina I.↗

Multiplexing Focusing Analyzer for Efficient Stress-Strain Measurements

Statement of the problem or situation that is being addressed. Although thermal and cold neutron scattering is widely used and is critical for success in many areas of materials science and engineering, relatively low neutron fluxes severely limit applications of not only laboratory neutrons generators, but also large national neutron facilities. State-of-the-art thermal and cold neutron sources are large expensive national facilities, which serve diverse community of scientific and industrial users. The constant need to improve the instruments performance, stems from the fact that neutron methods are gaining in popularity, and becoming more and more powerful, while new neutron sources are not being constructed to keep pace with the developments and needs of the scientific community. Small research reactors at universities and National Labs, and laboratory-based neutron generators, are necessary not only for education and training, but also when samples cannot be transported to other facilities. However, the standard neutron techniques, which were developed for high-flux facilities, require much higher efficiencies to be used effectively with the low fluxes of small sources. Thus, the efficient use of neutron sources, such as with our proposed analyzer, is important for the progress and broader use of these neutron techniques. General statement of how this problem is being addressed. We propose to design and demonstrate novel diffractive optical device, which will enable very efficient residual stress neutron diffractometers. The proposed device will be a multi-foil analyzer, where each foil is constructed of focusing bent single crystals of Si. Such device will enable polychromatic residual stress neutron diffraction. At large national facilities, such as at Oak Ridge National Laboratory, these analyzers would enable very fast measurements for determining residual stress tensors, raster large samples or screen multiple samples. Commercial Applications and Other Benefits The outcome of this project would be the demonstration of commercial devices, novel neutron optical components, which could be utilized to improve the performance of existing instruments or build novel neutron scattering instruments at DOE neutron facilities and commercial laboratory neutron sources. These new devices will widen the scope of research conducted using neutrons and enable measurements not feasible at present. Summary for Members of Congress Thermal and cold neutron beams are a powerful materials science probe, which provide unique information about the structure of matter. The proposed innovations expand the reach of neutron-based investigations to new materials and industries by enabling new instrumentation capabilities, thereby greatly enhancing and expanding the role of small, laboratory-based neutron instrumentation, and improving education and training of neutron users.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

2022 Quantum Materials Young Investigators Workshop Report

The fifth edition of the workshop “Quantum Materials Young Investigators” was held August 18-19, 2022 at the Oak Ridge National Laboratory (ORNL). This workshop followed up on previous meetings that took place at ORNL starting in 2016. This important series of annual workshops, organized by Adam Aczel and Stuart Calder, ensures continuous engagement with the early career principal investigators (PIs) of the quantum materials neutron scattering community. Through a series of short scientific talks presented by the external PIs, members of the Neutron Scattering Division (NSD) learn about their scientific interests and needs. Presentations from ORNL staff members also help to inform the external PIs about the current state of ORNL’s quantum materials neutron scattering program. Topics covered include neutron scattering instruments, sample environment, neutron polarization, data reduction, visualization, and analysis, and future neutron scattering and complementary capabilities. Feedback is solicited from the external PIs in some or all of these key areas and communicated to NSD management in the form of a workshop report. This workshop series also helps to foster collaborations between NSD scientists and the research groups of the external PIs and plays an important role in attracting new neutron scattering users.

36 MATERIALS SCIENCE↗

Cavitation-induced erosion in liquid metal spallation targets – A comparison between a predictive method and measured erosion damage to stainless steel target modules at the Spallation Neutron Source

Neutrons are produced for neutron scattering instruments at the Spallation Neutron Source by bombarding liquid mercury with a pulsed high-energy proton beam. The liquid mercury target material flows through a replaceable stainless-steel target vessel and cavitates during operation due to the extremely high heating rate caused by each proton pulse. Cavitation-induced erosion damage to the mercury-facing surfaces of target vessels is a key concern for target lifetime and has been the subject of considerable research. While numerous experiments have studied and modeled the progression of cavitation erosion damage to liquid metal target containers, direct quantitative measurements of actual erosion of a spallation target vessel were previously not available. Recently, the erosion damage to multiple target vessels operated at the Spallation Neutron Source was measured using a high-resolution laser scanning system, which provided an opportunity to study the efficacy of a cavitation damage progression model. In this paper, a cavitation progression modeling procedure developed using empirical observations is compared to measurements of samples from target vessels after operation. We discuss the strengths and limitations of the technique and propose methods for improving future modeling and predictive accuracy.

36 MATERIALS SCIENCE↗

Second Target Station Project (STS) Steerable Optic Design & Testing Report

Multiple neutron scattering instrument concepts for the Spallation Neutron Source's Second Target Station (STS) incorporate advanced neutron optic designs which incorporate discrete mirrors rather than continuous neutron guides that were the standard for instruments in the First Target Station. These mirrors can be a few to several meters in length and must be stably supported and aligned as a single optic. In addition, due to the length of the STS instruments and the small size of the STS neutron beams, installation and alignment at the micron level of precision will be required, which is beyond the ability of today's survey & alignment technology. Thus, a means of remotely adjusting these mirrors with single digit micron resolution is needed. A Steerable Optic System was designed to provide the precision and resolution required to support and manipulate these large, heavy optics under beamline shielding. A mockup was developed to demonstrate and validate this system for use in neutron optic applications, and this document describes the design and testing results of that mockup.

43 PARTICLE ACCELERATORS↗

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↗

Conceptual Polarization Setup at CENTAUR, the SANS/WANS Instrument at the Second Target Station of SNS

CENTAUR is a multifunctional general purpose small-angle and wide-angle neutron scattering instrument with diffraction and spectroscopic capability in the future Second Target Station at the Spallation Neutron Source of the Oak Ridge National Laboratory. To fill a gap in neutron polarization capability, the instrument will be designed to provide polarization analysis. Here we present the conceptual polarization setup at CENTAUR, as well as the Spin Echo Modulated Small-Angle Neutron Scattering setup which will further expand the length scale covered by the instrument.

Qian, Shuo↗

Implementation of TSL Evaluations Beyond the Incoherent Approximation [Slides]

This presentation discusses the motivation behind the project, which is to facilitate the production of TSL libraries that contain high fidelity physics including coherent inelastic effects, such as graphite and beryllium. High fidelity TSL libraries are of interest in various applications, for example in relation to neutron scattering instrument response analysis and directional biases (reflection) in neutronic analysis. In summation, the removal of typical approximations, in terms of incoherent, cubic, and atom site are examined. The application of generalized equations to crystalline graphite and beryllium TSL evaluations and the validation of data and data formats is also discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

High Entropy Alloys: Advanced Synchrotron X-Ray and Neutron Scattering Studies

Synchrotron high energy X-rays and neutrons are powerful complementary tools for structure-property relationship studies by probing materials under complex external stimuli and measuring the bulk-average materials properties and response mechanism, thanks to the high brightness and advanced instrumentations. The research of using the high energy X-ray or neutron scattering instruments at large facilities in high entropy alloys has greatly increased in alloy design, synthesis, property evaluation, performance testing, and predictive model validation, and thus accelerates the next generation structural material discoveries.

An, Ke↗

Fabrication and testing of high-performance all-metal neutron guides and axisymmetric mirrors by electrochemical replication

Neutron scattering is one of the most useful methods of studying the structure of matter, with applications to biomedical, structural, magnetic and energy-related materials. Neutron-scattering instruments are installed around research reactors or accelerator-based neutron sources, and neutron guides are critical components of these facilities. They are neutron-transport optical devices consisting of state-of-the-art mirrors often tens of meters long. Here we demonstrate a novel fabrication method of all-metallic neutron guides and axisymmetric mirrors by electroplating from precision mandrels. The process allows for the fabrication of single-piece all-metal guides of prismatic and axisymmetric shapes. We also demonstrate supermirror guides and axisymmetric focusing supermirrors produced with the same technology. We present the fabrication and tests of the multilayer-coated replicated guides and optic and show that the mandrel is reproduced with high fidelity and reliability. Furthermore, such supermirror optics will provide game-changing improvements in neutron techniques.

36 MATERIALS SCIENCE↗