We present the detailed design and performance simulations of BIFROST, a multiplexing indirect neutron time-of-flight spectrometer at the European Spallation Source. The instrument allows a neutron bandwidth of Δλ = 1.74 Å to reach the sample. The polychromatic flux can reach 6 × 109 n/s/cm2 while retaining a relative energy resolution, δEi/Ei, of around 3.5% at Ei = 5 meV. A fast pulse-shaping chopper allows for flexibility in the primary spectrometer resolution. For an opening time of 0.1 ms, a relative energy resolution down to 0.2% is achieved for Ei = 12 meV. The secondary spectrometer consists of 45 analyzer arrays, populating 9 scattering angle channels in the horizontal scattering plane, each of which covers 5.2° in scattering angle. Each channel hosts 5 analyzer arrays reflecting neutrons of fixed energies Ef equal to 2.7, 3.2, 3.8, 4.4, and 5.0 meV. Utilizing the prismatic analyzer concept, the back-end geometry allows a secondary spectrometer energy resolution in the range of 0.02-0.05 meV. The unique design of BIFROST offers not only an unprecedented neutron flux but also the ability to adjust the energy resolution by more than one order of magnitude. Focusing on the horizontal scattering plane, the spectrometer is ideally suited for extreme environment studies and for studying samples much smaller than 1 cm3. The drastic increase in measurement efficiency, compared to current high-flux spectrometers, has a particularly high impact on the fields of quantum magnetism, unconventional superconductivity, and functional materials.

McXtrace is an established Monte Carlo based ray-tracing tool to simulate synchrotron beamlines and X-ray laboratory instruments. This work explains and demonstrates the new capability of GPU-accelerated McXtrace ray-tracing simulations. The openACC implementation is presented, followed by a demonstration of the achieved speed-up factor for several types of instruments across different types of hardware. The instruments achieve speed-up factors around 250600 dependent on the instrument complexity. Instruments requiring repeated memory access might require optimised memory access procedures to avoid severe penalties in the simulation time when using GPUs. The importance of reducing the simulations was demonstrated for an aviation security application by comparing the simulation time of a projection of an energy-dispersive X-ray computed tomography instrument.

In this work, we present the development of small-angle scattering components in McStas that describe the neutron interaction with 70 different form and structure factors. We describe the considerations taken into account for the generation of these components, such as the incorporation of polydispersity and orientational distribution effects in the Monte Carlo simulation. These models can be parallelized by means of multi-core simulations and graphical processing units. The acceleration schemes for the aforementioned models are benchmarked, and the resulting performance is presented. This allows the estimation of computation times in high-throughput virtual experiments. The presented work enables the generation of large datasets of virtual experiments that can be explored and used by machine learning algorithms.

Neutron scattering in high-pressure environments offers unique opportunities to measure the physical properties of matter but faces challenges due to low signal intensity and high background noise. In this study, Monte Carlo simulations were employed to identify background sources in low-temperature and high-pressure sample environments at the SINQ instrument CAMEA. Simulation results suggest that the piston pressure cell (PC) contributes significantly to the background noise in neutron scattering experiments. To counter this background, a compact radial neutron collimator was developed to reduce background in the sample environment, and its performance was evaluated experimentally. Measurements show that the collimator reduces the background generated by the PC effectively, especially for low q. Noise from the collimator was observed, and strategies to address this issue were discussed.

The European Spallation Source (ESS), presently under construction in Lund, Sweden, is a multidisciplinary international laboratory that, once completed at full specifications, will operate the world's most powerful pulsed neutron source. Supported by a 3 M Euro Research and Innovation Action within the European Union Horizon 2020 program, a design study (HighNESS) is now underway to develop a second neutron source located below the spallation target. Compared to the first source, which is located above the spallation target and designed for high cold and thermal brightness, the new source is being optimized to deliver higher intensity and a shift to longer wavelengths in the spectral regions of cold neutrons (CNs) (2 to 20 & Aring;), very cold neutrons (VCNs) (10 to 120 & Aring;), and ultracold neutrons (UCNs) (> 500 & Aring;). The second source consists of a large liquid deuterium moderator to deliver CNs and serve secondary VCN and UCN sources, for which different options are under study. These new sources will boost several areas of condensed matter research and will provide unique opportunities in fundamental physics. The HighNESS project is now entering its last year, and we are working toward the Conceptual Design Report of the ESS upgrade. In this paper, results obtained in the first 2 years, ongoing developments, and future perspectives are described.

In this work, we combine the advantages of virtual Small Angle Neutron Scattering (SANS) experiments carried out by Monte Carlo simulations with the recent advances in computer vision to generate a tool that can assist SANS users in small angle scattering model selection. We generate a dataset of almost 260.000 SANS virtual experiments of the SANS beamline KWS-1 at FRM-II, Germany, intended for Machine Learning purposes. Then, we train a recommendation system based on an ensemble of Convolutional Neural Networks to predict the SANS model from the two-dimensional scattering pattern measured at the position-sensitive detector of the beamline. The results show that the CNNs can learn the model prediction task, and that this recommendation system has a high accuracy in the classification task on 46 different SANS models. We also test the network with real data and explore the outcome. Finally, we discuss the reach of counting with the set of virtual experimental data presented here, and of such a recommendation system in the SANS user data analysis procedure.

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.

Propagation-based phase contrast, for example in the form of edge enhancement contrast, is well established within X-ray imaging but is not widely used in neutron imaging. This technique can help increase the contrast of low-attenuation samples but may confuse quantitative absorption measurements. Therefore, it is important to understand the experimental parameters that cause and amplify or dampen this effect in order to optimize future experiments properly. Two simulation approaches have been investigated, a wave-based simulation and a particle-based simulation conducted in McStas [Willendrup & Lefmann (2020). J. Neutron Res. 22, 1–16], and they are compared with experimental data. The experiment was done on a sample of metal foils with weakly and strongly neutron absorbing layers, which were measured while varying the rotation angle and propagation distance from the sample. The experimental data show multiple signals: attenuation, phase contrast and reflection. The wave model reproduces the sample attenuation and the phase peaks but it does not reproduce the behavior of these peaks as a function of rotation angle. The McStas simulation agrees better with the experimental data, as it reproduces attenuation, phase peaks and reflection, as well as the change in these signals as a function of rotation angle and distance. This suggests that the McStas simulation approach, where the particle description of the neutron facilitates the incorporation of multiple effects, is the most convenient way of modeling edge enhancement in neutron imaging.

A key aim of the HighNESS project for the European Spallation Source is to enable cutting-edge particle physics experiments. This volume presents a conceptual design report for the NNBAR experiment. NNBAR would exploit a new cold lower moderator to make the first search in over thirty years for free neutrons converting to anti-neutrons. The observation of such a baryon-number-violating signature would be of fundamental significance and tackle open questions in modern physics, including the origin of the matter-antimatter asymmetry. This report shows the design of the beamline, supermirror focusing system, magnetic and radiation shielding, and anti-neutron detector necessary for the experiment. A range of simulation programs are employed to quantify the performance of the experiment and show how background can be suppressed. For a search with full background suppression, a sensitivity improvement of three orders of magnitude is expected, as compared with the previous search. Civil engineering studies for the NNBAR beamline are also shown, as is a costing model for the experiment.

The use of a phase-retrieval technique for propagation-based phase-contrast neutron imaging with a polychromatic beam is demonstrated. This enables imaging of samples with low absorption contrast and/or improving the signal-to-noise ratio to facilitate e.g. time-resolved measurements. A metal sample, designed to be close to a phase pure object, and a bone sample with canals partially filled with D2O were used for demonstrating the technique. These samples were imaged with a polychromatic neutron beam followed by phase retrieval. For both samples the signal-to-noise ratios were significantly improved and, in the case of the bone sample, the phase retrieval allowed for separation of bone and D2O, which is important for example for in situ flow experiments. The use of deuteration contrast avoids the use of chemical contrast enhancement and makes neutron imaging an interesting complementary method to X-ray imaging of bone.

To meet the ever-increasing user demand, eleven of the fifteen European Spallation Source (ESS) instruments under construction aim to offer polarised neutrons for user experiments. They include an imaging instrument, a SANS instruments, two reflectometers, three diffractometers, and four spectrometers. In conjunction with in-kind contributions and instrumentation grants, the ESS Polarisation Project will support the incorporation of polarisation analysis on eight of the eleven instruments. The project aims to deliver polarised neutrons for first-science experiments as instruments enter operation. Different polariser and polarisation analyser techniques will be available to accommodate the specifics of experiments on a given instrument. Polarised 3He neutron spin filter using either Metastable Optical Pumping (MEOP) or Spin-Exchange Optical Pumping (SEOP) techniques will provide shared-use equipment among many instruments, with SEOP’s main application being in situ beam-polarisation. Several instruments will also use polarising-supermirror devices. To provide wide-bandwidth spin-flipping capability to the time-of-flight instruments, Adiabatic Fast Passage (AFP) neutron spin flippers, also known as gradient-field radiofrequency spin flippers will be the main method of choice. Devices based on the same AFP principle will also be used to flip 3He nuclear spins. We are constructing our first 3He polariser setup, including field coils to produce highly uniform magnetic field. Monte Carlo simulations are being done for the supermirror polarisers. To ensure science-focused development, we are working with university partners in doing scientific experiments with polarised neutrons. These are some of the activities developing polarisation analysis for ESS instruments in our project.

Polarized neutrons will be made available on many European Spallation Source (ESS) instruments. There are a number of technologies available for polarizers and polarization analyzers which will be used at the ESS. The selection of the technology for an instrument is based on the performance and the constraints of the instrument. We will focus on the design of polarizing supermirror devices using Monte Carlo ray tracing simulation as an integral part of instrument design process. A McStas module has been developed to simulate a multichannel V-cavity polarizer, seeking the appropriate parameters to be incorporated into the respective instrument. The performance of such polarizers is studied for three instruments at ESS (MIRACLES (backscattering spectrometer), BIFROST (indirect geometry spectrometer) and ODIN (imaging)) with different requirements and constraints, where the suitability of this kind of devices can be assessed. For the first two instruments, where there is no strong constraint on the placement of the polarizer, the optimal configurations show excellent performance over the whole required wavelength ranges. However, in ODIN, due to more strict constraints in the placement of the polarizer, the performance is more dependent on the wavelength in the required wavelength range and other options may need to be considered.

The European Spallation Source, currently under construction in Lund, Sweden, is a multidisciplinary international laboratory. Once completed to full specifications, it will operate the world’s most powerful pulsed neutron source. Supported by a 3 million Euro Research and Innovation Action within the EU Horizon 2020 program, a design study (HighNESS) has been completed to develop a second neutron source located below the spallation target. Compared to the first source, designed for high cold and thermal brightness, the new source has been optimized to deliver higher intensity, and a shift to longer wavelengths in the spectral regions of cold (CN, 2–20 Å), very cold (VCN, 10–120 Å), and ultracold (UCN, >500 Å) neutrons. The second source comprises a large liquid deuterium moderator designed to produce CN and support secondary VCN and UCN sources. Various options have been explored in the proposed designs, aiming for world-leading performance in neutronics. These designs will enable the development of several new instrument concepts and facilitate the implementation of a high-sensitivity neutron-antineutron oscillation experiment (NNBAR). This document serves as the Conceptual Design Report for the HighNESS project, representing its final deliverable.

The European Spallation Source (ESS), presently under construction in Lund, Sweden, is a multidisciplinary international laboratory that will operate the world's most powerful pulsed neutron source. Supported by a 3M Euro Research and Innovation Action within the EU Horizon 2020 program, a design study (HighNESS) is now underway to develop a second neutron source below the spallation target. Compared to the first source, located above the spallation target and designed for high cold and thermal brightness, the new source will provide higher intensity, and a shift to longer wavelengths in the spectral regions of cold (2 /- 20 Å), very cold (VCN, 10 /- 120 Å), and ultra cold (UCN, > 500 Å) neutrons. The core of the second source will consist of a large liquid deuterium moderator to deliver a high flux of cold neutrons and to serve secondary VCN and UCN sources, for which different options are under study. The features of these new sources will boost several areas of condensed matter research and will provide unique opportunities in fundamental physics. Part of the HighNESS project is also dedicated to the development of future instruments that will make use of the new source and will complement the initial suite of instruments in construction at ESS. The HighNESS project started in October 2020. In this paper, the ongoing developments and the results obtained in the first year are described.

Aimed to investigate potential benefits from mounting reflecting layers of diamond nanoparticles or super mirrors in neutron extraction channels, a conceptual compact neutron source was designed using Geant4 and MCNP. The scattering of low-energy neutrons with nanodiamonds was implemented in Geant4 and validated with existing experimental data. The source design was based on a 13 MeV proton beam hitting a beryllium target, with neutron moderation facilitated by a water premoderator, supplemented by a quasi 1-dimensional parahydrogen moderator, before emission towards a few (2-5) beamlines. In an attempt to increase the neutron flux available for experiments, reflecting layers of diamond nanoparticles or supermirrors were placed in the neutron extraction channel, and results for different implementations were assessed and compared. The results show that the cold neutron flux is increased by using the nanodiamond powder, in particular for large divergence neutrons (greater than 2), but a significant effect is observed also for low-divergence neutrons, which are of particular interest to neutron scattering experiments. The effect is dependent on the neutron wavelength and the size of nanodiamonds, with larger effects in general obtained for longer wavelengths, and particles of larger size. The same configuration was studied, where instead of nanodiamonds, supermirrors were used. The use of supermirrors at the beam extraction predicts even higher potential gains. These results are very promising to increase the efficiency of compact sources and can be applied to various configurations of such sources.

For the further development of spin-echo techniques to label elastic scattering it is necessary to perform simulations of the Larmor precession of neutron spins in a magnetic field. The details of some of these techniques as implemented at the reactor in Delft are simulated. First, the workings of the magnetized foil flipper are simulated. A full virtual spin-echo small-angle neutron scattering instrument is built and tested without and with a realistic scattering sample. It is essential for these simulations to have a simulated sample that also describes the transmitted beam of unscattered neutrons, which usually is not implemented for the simulation of conventional small-angle neutron scattering (SANS) instruments. Finally, the workings of a spin-echo modulated small-angle neutron scattering (SEMSANS) instrument are simulated. The simulations are in good agreement with theory and experiments. This setup can be extended to include realistic magnetic field distributions to fully predict the features of future Larmor labelling elastic-scattering instruments. Configurations can now be simulated for more complicated combinations of SANS with SEMSANS.

A key element of the success of McStas is the component layer where users and developers alike are contributing to the description of new physical models and features. In McStas, components realise all physical elements of the simulated instrument from source via optics and samples to detector. In this second review paper of the McStas package, we present an overview of the component classes in McStas: sources, monitors, optics, samples, misc, and contrib. Within each component class we give thorough examples of high-quality components, including their algorithms and example use. We present two example instruments, one for a continuous source and one for a time-of-flight source, that together demonstrate the use of the main component classes. Finally, we give tips and instructions that will allow the reader to write good components and elucidate the pathway of contributing new components to McStas.