Advanced computer simulations methods for neutron scattering instruments 2025

Session

Posters, Snacks and Drinks

11 Jul 2025, 16:40

R035 (DTU building 306)

Description

Posters, Snacks and Drinks

31. Advancing Neutron Optics: Simulation and Material Design for High-Performance Focusing Units

11/07/2025, 16:40

Neutron scattering methods are essential for exploring the structure and dynamics of matter, yet tools for manipulating neutron beams remain limited compared to those available for X-rays. This project bridges that gap by leveraging expertise in X-ray optics from the Center for High-Energy X-ray Systems (CHEXS) and the Technical University of Denmark to advance neutron optics technologies....

14. Benchmarking FLUKA to Optimise Moderator Design for High-Power Neutron Sources

11/07/2025, 16:40

Neutron scattering facilities rely on efficient moderators to optimise the performance of experiments for fundamental and applied physics. Cold and water moderators are crucial for tailoring neutron energy spectra and pulse profiles to meet diverse experimental requirements. Achieving optimal moderator design requires advanced computational tools to simulate neutron pulse evolution within the...

18. CANS for neutron scattering: a comparative assessment of capabilities and potential

11/07/2025, 16:40

Neutron scattering techniques are typically performed at large facilities such as ISIS-RAL in the UK, the Institut Laue-Langevin ILL in France or the future European Spallation Source ESS in Sweden. However the European neutron landscape is shrinking, making access to instruments more scarce [1]. In this context, Compact Accelerator-based Neutron Sources (CANS) represent a perfect complement...

7. Heliumscope: A Geant4-Based Simulation for the ESS Test Beamline

11/07/2025, 16:40

The European Spallation Source (ESS) Test Beamline (TBL) will serve as a multi-purpose in-strument designed for early-stage performance evaluation of the accelerator and neutron source, as well as for testing, integration, and calibration of neutron detection instrumenta-tion. Among the detector technologies employed at TBL, position-sensitive He-3 tubes de-tector (LPSD) play a crucial role in...

17. Improving Monte Carlo simulations of neutron scattering experiments through combining the OpenMC neutron transport code with the NCrystal toolkit

11/07/2025, 16:40

In recent years, Monte Carlo particle transport simulations have become available that make it possible to simulate neutron interaction in samples and surrounding environments in neutron scattering instruments. Compared to previous raytracing approaches, neutrons that enter the sample environment area are followed, collision by collision, and all interactions are simulated. This allows for...

19. McStas simulation of a beam characterization experiment of the PF1B cold neutron beamline for an improved instrument simulation model.

11/07/2025, 16:40

See PDF attached.

2. NeuMATIX: Integrating NEUtron & MATerials Expertise for Advanced Scattering Simulations

11/07/2025, 16:40

NeuMATIX (NEUtron & MATerials Integrated eXpertise) bridges the gap between advanced material modeling and Monte Carlo ray tracing (MCRT) simulations. Traditionally, MCRT software requires a scattering kernel as input, often relying on simplified material representations that capture only a limited number of atomistic sites and symmetry rules from crystallographic data. While effective for...

8. Novel quasi-elastic backscattering instrument concept at ESS – KVASIR

11/07/2025, 16:40

This abstract was already submitted for the ICNS conference

3. Optimizing Scattered Beam Collimators with C3DP for Challenging Sample Environments

11/07/2025, 16:40

C3DP is a software solution designed to create and optimize complex, non-traditional scattered beam collimators. Scattered beam collimators are critical for enhancing the sample signal-to-background ratio, particularly in experiments involving specialized sample environments like pressure cells or diamond anvil cells. These environments often generate significant background noise, making it...

24. Predicting neutron experiments from first principles: a workflow powered by machine learning

11/07/2025, 16:40

Molecular dynamics (MD) is a powerful tool for neutron science, as it enables direct computation of the dynamic structure factor—proportional to scattering intensity—used to interpret and plan experiments. Recent advances in machine-learned interatomic potentials (MLIPs) have made accurate MD simulations more accessible. Here, we present a workflow that combines MLIPs with MD to predict...

22. Simulation of transmission polarising supermirror device – results from incorporating missing physical processes

11/07/2025, 16:40

Neutron polariser and analyser based on polarising supermirror technology [1-3] have enabled the widespread use of polarised neutrons in the past decades. They operate on polarised neutron reflectometry principles and are highly sensitive to incident neutron’s wavelength and incident angle. Modern beamline often shapes the neutron beam using sophisticated optical elements such as curved guides...

29. Using CAD-geometry in particle transport.

11/07/2025, 16:40

We present some examples of preparing CAD-geometries for use by particle transport codes. To be precise we have prepared geometries for OpenMC[1], but the underlying libraries are able to use the same geometry in both MCNP[2] and fluka[3].

Our vehicle for preparing geometries is the newly developed tool CAD_to_OpenMC[4], which is able to ingest a geometry defined in a step-file (or a set...

5. Verification of the McStas Code Using the Neutron Diffractometer Aurora - IPEN/Brazil

11/07/2025, 16:40

The Brazilian Multipurpose Reactor (RMB) project is going through a new phase of instru-mentation design. We are studying and designing instruments based on Monte Carlo simu-lations and experimental analysis and testing. The very first thermal neutron instrument to be designed is a neutron powder diffractometer. There are two steps to develop the final in-strument version according to the...

27. Vitess-AI: Leveraging Machine Learning and LLMs to Accelerate Neutron Instrument Design and Experiment Planning

11/07/2025, 16:40

In this presentation, I will introduce Vitess-AI, an initiative to enhance the VITESS neutron simulation application by integrating machine learning (ML) and large language model (LLM) technologies.
Vitess-AI aims to streamline two critical simulation workflows: (1) the optimization of complex, multi-parameter instrument configurations during the design phase, and (2) the preparation and...

21. Vitess-Python: A Python API for VITESS Instruments

11/07/2025, 16:40

The Monte-Carlo simulation software package VITESS offers only one way to create and modify virtual instruments: the TCL/Tk graphical user interface. This old GUI is not only due for a visual overhaul, but it also lacks some features that are currently required by users. While it is possible to modify command line parameters directly in a script, there is no tool or API to make semantically...