Toward a better thermal scattering law of (C5O2H8)n: Inelastic neutron scattering and oClimax + NJOY2016
Abstract
With the advancements in technology (both experimental and computational) the determination of the“true” experimental phonon spectrum became more accessible. Here a methodology for producing thermal scattering libraries from the experimental data (namely the DFT+oClimax method) for lucite (C5O2H8)n is discussed. Double differential scattering cross section (DDSCS) experiments were performed at the Spallation Neutron Source of Oak Ridge National Laboratory (SNS ORNL). Novel scattering kernel evaluations, based on the phonon spectrum for (C5O2H8)n,were created using oClimax and NJOY2016 codes. In order to compare and asses the performance of the newly created library, the experimental setup was simulated using MCNP6.1. Compared to the current ENDF/B-VIII.0, the resulting RPI (C5O2H8)n library improved the calculation of both double differential scattering and total scattering cross sections. A set of criticality benchmarks containing (C5O2H8)n from HEU-MET-THERM resulted in an overall improved calculation of Keƒƒ. The DFT + oClimax method is shown to be the most comprehensive method for analysis of moderator materials, due to the fact that it can be verified against all data measured at VISION, ARCS and SEQUOIA neutron spectrometers at SNS ORNL, and experimental total scattering cross section measurements. This technique also provides a new technique for calculating any phonon spectrum-related quantities suchmore »
- Authors:
-
[2];
[2];
[2];
[2];
- Rensselaer Polytechnic Inst., Troy, NY (United States)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Institut de Radioprotection et de Sûreté Nucléaire (IRSN), Paris (France)
- (Emily) [Rensselaer Polytechnic Inst., Troy, NY (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1566946
- Alternate Identifier(s):
- OSTI ID: 1703576
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Annals of Nuclear Energy (Oxford)
- Additional Journal Information:
- Journal Name: Annals of Nuclear Energy (Oxford); Journal Volume: 133; Journal Issue: C; Journal ID: ISSN 0306-4549
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 73 NUCLEAR PHYSICS AND RADIATION PHYSICS; Phonon spectrum; ENDF; Neutron scattering; Double differential scattering cross section; GDOS; Polyethylene; Lucite; Criticality safety; Density function theory; oClimax; VISION spectrometer; ARCS spectrometer; Specific heat capacity; Thermal conductivity
Citation Formats
Ramić, Kemal, Wendorff, Carl, Cheng, Yongqiang, Kolesnikov, Alexander I., Abernathy, Doug L., Daemen, Luke, Arbanas, Goran, Leal, Luiz, Danon, Yaron, and Liu, Li. Toward a better thermal scattering law of (C5O2H8)n: Inelastic neutron scattering and oClimax + NJOY2016. United States: N. p., 2019.
Web. doi:10.1016/j.anucene.2019.05.042.
Ramić, Kemal, Wendorff, Carl, Cheng, Yongqiang, Kolesnikov, Alexander I., Abernathy, Doug L., Daemen, Luke, Arbanas, Goran, Leal, Luiz, Danon, Yaron, & Liu, Li. Toward a better thermal scattering law of (C5O2H8)n: Inelastic neutron scattering and oClimax + NJOY2016. United States. https://doi.org/10.1016/j.anucene.2019.05.042
Ramić, Kemal, Wendorff, Carl, Cheng, Yongqiang, Kolesnikov, Alexander I., Abernathy, Doug L., Daemen, Luke, Arbanas, Goran, Leal, Luiz, Danon, Yaron, and Liu, Li. Thu .
"Toward a better thermal scattering law of (C5O2H8)n: Inelastic neutron scattering and oClimax + NJOY2016". United States. https://doi.org/10.1016/j.anucene.2019.05.042. https://www.osti.gov/servlets/purl/1566946.
@article{osti_1566946,
title = {Toward a better thermal scattering law of (C5O2H8)n: Inelastic neutron scattering and oClimax + NJOY2016},
author = {Ramić, Kemal and Wendorff, Carl and Cheng, Yongqiang and Kolesnikov, Alexander I. and Abernathy, Doug L. and Daemen, Luke and Arbanas, Goran and Leal, Luiz and Danon, Yaron and Liu, Li},
abstractNote = {With the advancements in technology (both experimental and computational) the determination of the“true” experimental phonon spectrum became more accessible. Here a methodology for producing thermal scattering libraries from the experimental data (namely the DFT+oClimax method) for lucite (C5O2H8)n is discussed. Double differential scattering cross section (DDSCS) experiments were performed at the Spallation Neutron Source of Oak Ridge National Laboratory (SNS ORNL). Novel scattering kernel evaluations, based on the phonon spectrum for (C5O2H8)n,were created using oClimax and NJOY2016 codes. In order to compare and asses the performance of the newly created library, the experimental setup was simulated using MCNP6.1. Compared to the current ENDF/B-VIII.0, the resulting RPI (C5O2H8)n library improved the calculation of both double differential scattering and total scattering cross sections. A set of criticality benchmarks containing (C5O2H8)n from HEU-MET-THERM resulted in an overall improved calculation of Keƒƒ. The DFT + oClimax method is shown to be the most comprehensive method for analysis of moderator materials, due to the fact that it can be verified against all data measured at VISION, ARCS and SEQUOIA neutron spectrometers at SNS ORNL, and experimental total scattering cross section measurements. This technique also provides a new technique for calculating any phonon spectrum-related quantities such as scattering law kernel, specific heat capacity, thermal conductivity, etc. for any solid state material.},
doi = {10.1016/j.anucene.2019.05.042},
journal = {Annals of Nuclear Energy (Oxford)},
number = C,
volume = 133,
place = {United States},
year = {Thu Jun 06 00:00:00 EDT 2019},
month = {Thu Jun 06 00:00:00 EDT 2019}
}
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