Abstract

In this work we present NJOY+NCrystal, a tool to generate thermal neutron scattering libraries with support for coherent and incoherent elastic components for crystalline solid materials. This tool, which is a customized version of NJOY, was created by modifying the nuclear data processing program NJOY to call the thermal scattering software library NCrystal, and includes a proposed change in the ENDF-6 format to store both the coherent and incoherent elastic components. Necessary changes to enable this format in NJOY, as well as to sample it in the OpenMC Monte Carlo code, are detailed here. Examples of materials that are coherent–dominant, incoherent–dominant, and mixed elastic scatterers are presented, as well as the creation of novel libraries for MgH2 and MgD2, that are under consideration as advanced neutron reflectors in the HighNESS project at the European Spallation Source. NJOY+NCrystal greatly simplifies the process to generate thermal scattering libraries (TSL) and this is exemplified with 213 new and updated TSL evaluations.

Highlights

  • The European Spallation Source, which is under construction in Lund, Sweden, will be the most powerful neutron source in the world

  • In this work we presented a new tool for creating thermal neutron scattering libraries for crystalline solid materials that combines the strengths of the industry standard NJOY2016 with the new capabilities of the software library NCrystal

  • This new tool includes the implementation of the new mixed elastic format for evaluated nuclear data files (ENDF)-6 files, as well as a proposal for mixed elastic support in the .ACE format

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Summary

Introduction

The European Spallation Source, which is under construction in Lund, Sweden, will be the most powerful neutron source in the world. In ENDF format, File 7 stores the thermal neutron scattering data in two sections: one for elastic and one for inelastic scattering. LEAPR has a limited support for coherent elastic scattering physics through few hard-coded materials (seen in Table 1), the inelastic component can be only calculated in the incoherent approximation, and it is limited by the physics that can be stored in ENDF format. The NCrystal library [9, 10] has an extensive treatment of the calculation of thermal neutron scattering cross sections directly but cannot generate ENDF-6 formatted files. With NJOY+NCrystal, the user isn’t anymore limited to materials with hard-coded options, but any solid poly-crystalline material can be calculated with support for coherent and incoherent elastic components in the current ENDF format, as well as in the proposed mixed elastic format. The Monte Carlo code OpenMC [4] was modified as well to support this new format of .ACE files, which makes this a complete implementation, starting from microscopic calculations and ending with Monte Carlo sampling

Theory
Implementation
Example evaluations
Conclusions
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