Molecular contributions to the thermal neutron cross sections of O2, N2, and air

Abstract

We provide an updated scattering library for the simulation of thermal neutron transport in air, including the effects of rotational and vibrational modes in N2 and O2 and neutron magnetic scattering in O2, showing their significance compared to smaller effects related to water humidity. The modeling is based on the Young–Koppel treatment of thermal neutron scattering from diatomic molecules, as well as ab initio simulations of the electronic density of N2 and O2.

Publication
J. Chem. Phys., 164, 134109 (2026)
Felix Fernandez-Alonso
Felix Fernandez-Alonso
Ikerbasque Research Professor

Ikerbasque Research Professor at the Materials Physics Center, Donostia - San Sebastián.