Conveners
Software: Data management
- Toshiya Otomo (JPARC)
Software: Large Scale Structures Analysis
- Tobias Richter (European Spallation Source ERIC)
Software: Experiment Control
- Andrew Jackson (European Spallation Source)
Software: Diffraction and Imaging Analysis
- Peter F. Peterson (Neutron Scattering Division, Oak Ridge National Laboratory)
Software: Data Processing
- Jonathan Taylor (European Spallation Source ERIC)
Software: Monte Carlo Methods
- Ken Andersen (ESS)
Software: Spectroscopy Analysis
- Garrett Granroth (Oak Ridge National Laboratory)
In this talk I will provide an overview of our experience of setting up, operating and using a cloud-based data analysis service in collaboration with STFC's Scientific Computing Department. The first year has seen the Excitations Group (who operate the LET, MERLIN, MAPS and MARI spectrometers) and the WISH diffractometer start to use this service, gradually moving away from the previous...
The European Open Science Cloud (EOSC) is the vehicle for the Open Science movement within the EU. Inspired by a data-centric view of scientific discovery, EOSC will provide a platform for the development of services and systems which encourage and enhance access to shared scientific data across disciplines. This talk will explore the motivations for the EOSC, some of the challenges which can...
The European Spallation Source (ESS) is the largest investment in European Neutron scattering since the construction of the Institute Laue Langevin. The Data Management and Software Centre (DMSC) is responsible for the delivery of the scientific computing and data management for the ESS. In this presentation the current status of the ESS project will be discussed in relation to the development...
SasView[1,2] is a data analysis package for Small Angle Scattering, developed by an international collaboration of facilities and universities. It primarily provides model fitting to 1D and 2D scattering patterns, including resolution smearing of the model. Fitting of polarised neutron scattering data, and data from oriented systems, is supported. There are also modules for performing...
Conventional analysis of reflectometry data provides only structural parameters via fitting model to the data. Can we obtain access to the interaction parameters causing this structure? To realize this one needs a different approach to the data analysis, that includes development of computational workflow capable of generating theoretical models in quantitative agreement with the data....
The MCNPX transport code is a commonly used code in the design of neutron sources. The traditional scattering kernels that describe materials in MCNPX do not capture small angle scattering effects. An implementation of small angle neutron scattering (SANS) has been developed in MCNPX. The implementation uses an analytical hard-sphere scattering with user-specified particle size,...
To cope with the projected data rates for the European Spallation Source (ESS) the data acquisition system needs to be scalable. ESS will deploy a cluster of message brokers running Apache Kafka as the common data backbone for all instruments. Neutron data as well as any ancillary metadata (chopper information, sample environment parameters and so on) will be time stamped with the appropriate...
The power of wide Q-range total scattering techniques can only be fully realised through judicious use of isotopic substitution and computer simulation. The more comprehensive the former, the more informed the latter, and consequently the more robust the resulting scientific conclusions on structural aspects of the systems. Investigation of a multitude of disordered systems in this manner has...
The High Flux Isotope Reactor (HFIR) CG-1D neutron imaging facility accommodates a broad range of research applications such as materials science, engineering, energy, physics, biology and plant physiology. This instrument is equipped with a modern data acquisition system that helps users to acquire data in a semi-automated fashion. Until now, raw data were processed using MatLab and/or...
This presentation will review and expand upon existing work in data processing made available us-ing event mode measurements. Most spallation neutron sources in the world have data acquisition systems that provide event recording. The new science that is enabled by utilizing event mode has only begun to be explored. In the past these studies were difficult to perform because histograms...
Many current neutron scattering experiments require use complex sample environments which invariably contribute significant background to the experimental data. Generally, collimators which are part of the instrument have been used to improve the sample to cell signal ratio. Particularly for high pressure, however, collimation should be customized for different pressure environments since...
The Mantid[1] project was started by ISIS (RAL UK) in 2007 to provide a framework to perform data reduction and analysis for neutron and muon instruments and to accommodate the increasing data volumes from newer instruments[2]. The project has now been running for over 12 years and has grown into a significant international collaboration between ISIS, Oak Ridge National Laboratory, the...
Scipp is heavily inspired by the Python library "xarray".
It enriches raw NumPy-like multi-dimensional arrays of data by adding
named dimensions and associated coordinates.
Multiple arrays are combined into datasets.
On top of these basics, which xarray would also provide, scipp introduces:
- Implicit handling of physical units.
- Implicit propagation of uncertainties.
- Support for...
One of the recent successful developments in the computing group in MLF at J-PARC is about the "quasi-real-time" data reduction and visualization method, named a live data reduction. From the beginning of MLF running, users have strongly required to see the current data during the measurement to decide next experimental conditions and schedules. To realize "real-time" data treatment we...
The McStas neutron ray-tracing simulation package is a versatile tool for producing accurate simulations of neutron scattering instruments at reactors, short- and long-pulsed spallation sources such as the European Spallation Source. McStas It is extensively used for design and optimization of instruments, virtual experiments, data analysis and user training. McStas was founded as an...
The European Spallation Source (ESS) is going to be the most powerful spallation neutron source in the world and the flagship of the neutron science in the upcoming decades. The exceptionally high neutron flux will provide unique opportunity for scientific experiments, but also set high requirements for the detectors. One of the most challenging aspects is the rate capability and in particular...
Rotating objects, such as choppers, are common components of a neutron beamline, and the motion of these components is not described in the static geometry of an MCNPX model. The special case of non-static surfaces for rotation about a stationary point in space has been developed for MCNPX. In addition, velocity dependent kinematics due to the motion of the medium have been implemented. This...
Neutron guide shielding is a complex problem that adds transmission through the guides via neutron mirrors to the traditional particle transport. The combination of these phenomena is rarely available in transport codes. PHITS started featuring neutron mirror starting with version 2.12, and F.X. Gallmeier implemented them in MCNPX in 2009. In this work, we have ported this physics into MCNP6...
The Monte-Carlo method is the de-facto standard for radiation shielding calculations at spallation neutron sources. Calculations can often require the transport of particles through several meters of biological shielding, and there are continuous requests to simulate weaker and weaker phenomena. Therefore, variance reduction methods become absolutely critical for the success of a calculation....
Precise modeling of a material is a key to understand its underlying interactions and physics but also revealing the competing phases in the nearby interaction space. Highly frustrated systems are important due to the richness in physics and diversity of phases including spin liquids with exotic topological states they display. Here, we present a machine learning workflow to fit...
In Inelastic Neutron Scattering (INS) the study of spin-waves in magnetically ordered materials has always been a cornerstone of scientific output since the Triple-axis spectrometer (TAS). Since measuring these excitations is now an everyday occurrence, increasingly exotic materials are becoming the norm.
As materials have become more exotic, the need for data analysis and modeling of these...
ICE-MAN is a modeling and analysis workbench for multi-modal studies, specifically design with neutron science in mind. The integrated and extensible environment will provide scientists with a common interface to a suite of tools, and developers with a common API to seamlessly add new functionality. This project aims to reduce the barrier to analyze and interpret neutron scattering experiments...
Neutron spectroscopy is a tool of choice for studying exotic magnetic and vibrational excitations in solids. Direct Geometry Spectrometers (DGS) at Spallation sources allow the collection of massive datasets, but the excitations are obscured by asymmetric instrument broadening that varies in the dynamic range of measurement. Clearly resolving fine features in the excitation spectra of novel...
SpinWaveGenie is a Python/C++ software library that simplifies the modeling of collective spin wave excitations, allowing scientists to analyze neutron scattering data with sophisticated models fast and efficiently. Furthermore, one can calculate the scattering function S(Q, E) to directly compare and fit calculations to experimental measurements. Its generality has been both enhanced and...
In this decade, high-intensity spallation neutron sources combined with the Time-of-flight (TOF) method such as SNS, J-PARC and CNCS are available, and ESS will be available in the future. Using such the neutron source, neutron powder diffraction data are collected with higher statistics and/or resolution than conventional reactor sources. After the data reduction is done correctly to change...
