Molecular Dynamics of Supercritical Water for Nuclear Data Development-Reference-Cited by-同舟云学术

Molecular Dynamics of Supercritical Water for Nuclear Data Development

Published:2021-10-19 Issue:2 Volume:8 Page:
ISSN:2332-8983
Container-title:Journal of Nuclear Engineering and Radiation Science
language:en
Short-container-title:

Author:

Hartling Katy¹,Li Gang¹,Bentoumi Ghaouti¹,Yamani Zahra¹

Affiliation:

1. Canadian Nuclear Laboratories, Chalk River, ON K0J 1J0, Canada

Abstract

Abstract The Canadian supercritical water-cooled reactor was selected as one of the Generation IV International Forum initiatives for reactor design. It uses supercritical light water as a coolant under operating conditions of 25 MPa (250 bar) and 623–898 K. However, the simulation codes used to assess the performance and safety of such a design depend upon the accuracy of available nuclear data parametrizations, which currently do not include models of light water in the supercritical regime. In this paper, we present a study of supercritical water (SCW) through molecular dynamics simulations. Flexible variants of the TIP4P/2005 and simple point charge models for H2O are assessed to determine their ability to reproduce experimental measurements of SCW properties, and their suitability for the future development of nuclear data parametrizations for thermal neutron scattering from SCW. Planned experiments measuring thermal neutron scattering from SCW to inform nuclear data development are also summarized.

Publisher

ASME International

Subject

Nuclear Energy and Engineering,Radiation

Link

http://asmedigitalcollection.asme.org/nuclearengineering/article-pdf/8/2/021301/6774341/ners_008_02_021301.pdf

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