From BASIS to MIRACLES:Benchmarking and perspectives for high-resolution neutron spectroscopy at the ESS

Results based on virtual instrument models for the first high-flux, high-resolution, spallation based, backscattering spectrometer, BASIS are presented in this paper. These were verified using the Monte Carlo instrument simulation packages McStas and VITESS. Excellent agreement of the neutron count rate at the sample position between the virtual instrument simulation and experiments was found, in both time and energy distributions. This achievement was only possible after a new component for a bent single crystal analyser in McStas, using a Gaussian approximation, was developed. These findings are pivotal to the conceptual design of the next generation backscattering spectrometer, MIRACLES at the European Spallation Source

Evaluation of a method for time-of-flight, wavelength and distance calibration for neutron scattering instruments by means of a mini-chopper and standard neutron monitors

Accurate conversion of neutron time-of-flight (TOF) to wavelength, and its uncertainty, is of fundamental importance to neutron scattering measurements. Especially in cases where instruments are highly configurable, the determination of the absolute wavelength after any change must always be performed. Inspired by the manner with which neutron spectrometers determine the absolute wavelength, we evaluate for the first time, in the author's knowledge, a commonly used method for converting TOF to neutron wavelength, the distance of a monitor from the source of neutrons and we analytically calculate the uncertainty contributions that limit the precision of the conversion. The method was evaluated at the V20 test beamline at the Helmholtz Zentrum Berlin (HZB), emulating the ESS source with a pulse of 2.86 ms length and 14 Hz repetition rate, by using a mini-chopper operated at 140 Hz, beam monitors (BMs) and data acquisition infrastructure. The mini-chopper created well-defined neutron pulses and the BM was placed at two positions, enabling the average wavelength of each of the pulses created to be determined. The used experimental setup resulted in absolute wavelength determination at the monitor positions with a $\delta \lambda_{mean} / \lambda_{mean}$ of $\sim$1.8% for $\lambda >4$ \r{A}. With a modest increase of the distance between the reference monitor positions a $\delta \lambda_{mean} / \lambda_{mean}$ of below 0.5% can be achieved. Further improvements are possible by using a thinner monitor, smaller chopper disc openings and a higher rotational speed chopper. The method requires only two neutron measurements and doesn't necessitate the use of crystals or complex fitting, and could constitute a suitable addition to imaging, diffraction, reflectometers and small angle neutron scattering instruments, at spallation sources, that do not normally utilise fast choppers

The instrument suite of the European Spallation Source

An overview is provided of the 15 neutron beam instruments making up the initial instrument suite of the European Spallation Source (ESS), and being made available to the neutron user community. The ESS neutron source consists of a high-power accelerator and target station, providing a unique long-pulse time structure of slow neutrons. The design considerations behind the time structure, moderator geometry and instrument layout are presented. The 15-instrument suite consists of two small-angle instruments, two reflectometers, an imaging beamline, two single-crystal diffractometers; one for macromolecular crystallography and one for magnetism, two powder diffractometers, and an engineering diffractometer, as well as an array of five inelastic instruments comprising two chopper spectrometers, an inverse-geometry single-crystal excitations spectrometer, an instrument for vibrational spectroscopy and a high-resolution backscattering spectrometer. The conceptual design, performance and scientific drivers of each of these instruments are described. All of the instruments are designed to provide breakthrough new scientific capability, not currently available at existing facilities, building on the inherent strengths of the ESS long-pulse neutron source of high flux, flexible resolution and large bandwidth. Each of them is predicted to provide world-leading performance at an accelerator power of 2 MW. This technical capability translates into a very broad range of scientific capabilities. The composition of the instrument suite has been chosen to maximise the breadth and depth of the scientific impact o

Looking at hydrogen motions in confinement

Why in a barren and hot desert, clays can contain a significant fraction of water? Why does concrete crack? How can we demonstrate that complexation of a drug does not alter its conformation in a way that affects its functionality? In this paper we present results on various studies using Quasi-Elastic Neutron Scattering aimed at clarifying these questions. To allow for a better understanding of neutron scattering, a brief introduction to the basics of its theory is presented. Following the theoretical part, experimental results dealing with the effects of confinement on the water dynamics caused by the interfaces in clays and the nano- and micro-pores of concrete are reviewed in detail. At the end, recent Quasi-Elastic Neutron Scattering investigations on the complexation of the local anesthetics Bupivacaine (BVC.HCl, C18H28N20.HCl.H2O) and Ropivacaine (RVC.HCl, C17H26N20.HCl.H2O) into the cyclic β-cyclodextrin oligosaccharide are presented. To conclude, the perspectives that the European Spallation Source brings to this subject are discusse

From BASIS to MIRACLES: Benchmarking and perspectives for high-resolution neutron spectroscopy at the ESS

Results based on virtual instrument models for the first high-flux, high-resolution, spallation based, backscattering spectrometer, BASIS are presented in this paper. These were verified using the Monte Carlo instrument simulation packages McStas and VITESS. Excellent agreement of the neutron count rate at the sample position between the virtual instrument simulation and experiments was found, in both time and energy distributions. This achievement was only possible after a new component for a bent single crystal analyser in McStas, using a Gaussian approximation, was developed. These findings are pivotal to the conceptual design of the next generation backscattering spectrometer, MIRACLES at the European Spallation Source

Looking At Hydrogen Motions In Confinement: The Uniqueness Of Quasi-elastic Neutron Scattering

Why in a barren and hot desert, clays can contain a significant fraction of water? Why does concrete crack? How can we demonstrate that complexation of a drug does not alter its conformation in a way that affects its functionality? In this paper we present results on various studies using Quasi-Elastic Neutron Scattering aimed at clarifying these questions. To allow for a better understanding of neutron scattering, a brief introduction to the basics of its theory is presented. Following the theoretical part, experimental results dealing with the effects of confinement on the water dynamics caused by the interfaces in clays and the nano- and micro-pores of concrete are reviewed in detail. At the end, recent Quasi-Elastic Neutron Scattering investigations on the complexation of the local anesthetics Bupivacaine (BVC.HCl, C18H28N20.HCl.H2O) and Ropivacaine (RVC.HCl, C17H26N20.HCl.H2O) into the cyclic β-cyclodextrin oligosaccharide are presented. 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