PaNOSC has been developing the Virtual Neutron and X-ray Laboratory (ViNYL), which offers services for simulation and modelling of neutron and photon sources, beamlines and experimental instrument, as well as start-to-end simulations to describe entire experiments at photon and neutron facilities.
PaNOSC has released a first version of its simulation infrastructure ViNYL, which includes the development of a unified simulation API for three different simulation frameworks, namely SIMEX, Oasys and McStasScript. This infrastructure has been used to support the development of three prominent simulation use cases for the PaN community, including source simulation, beamlines simulation signal generation. Different use cases have been implemented and relevant pipelines (including experiment configuration and visualisation) have been realised.
Who is ViNYL for?
ViNYL enables PaN users to rapidly implement simulation and analysis workflows specific to their facilities, instruments, and experiments. This is important, as simulations of the various parts and processes involved in complex experiments play an increasingly important role in the entire lifecycle of scientific data generated at RIs: from the idea for an experiment (often triggered by results from numerical and theoretical work), via design and optimisation of experimental setups, estimation of experimental artifacts, generation of supporting material for beamtime proposals, assisting in decision making during an ongoing experiment to interpretation of experimental data, data analysis, and finally extrapolation from the obtained results which then leads to new experiments.
ViNYL software packages
ViNYL will agglutinate in a PaNOSC-compatible e-infrastructure software packages based on developments made by the involved partners, such as:
- McStasScript > Simulation code McStas, which is world leading in simulation of instrumentation for neutron scattering and virtual neutron scattering experiments.
Watch the interview with Mads Bertelsen on performing McStas simulations with McStasScript (+ DEMO)
- OASYS > open-source graphical environment for x-ray virtual experiments.
Watch the video on OASYS
- SIMEX > photon experiment simulation environment.
- SimEx github repository: SimEx source code
- SimEx jupyter notebook examples
Watch the interview (and demo) with Juncheng E on the photon experiment simulation environment SIMEX
Watch the interview (and demo) with Ibrahim Dawod on the use of SimEx and Gromacs for bioimaging theoretical simulations
To find out more about ViNYL, visit the related section in the PaNOSC-ViNYL repository on Github