Thermal Scattering Libraries

The Nuclear Data Group of the Neutron Physics Department develops models for the evaluation of thermal scattering libraries. The group is composed by Dr. Florencia Cantargi, Dr. Rolando Granada and Dr. Jose Ignacio Marquez Damian. The group has more than 40 years of experience measuring thermal cross sections, developing models, evaluating and processing thermal scattering data libraries.

Index

Neutron filters

• Silicon
• Sapphire

Moderators

• Heavy Water
• Light Water
• H+ ions in acid light water solutions

Cold Moderators

• Liquid Hydrogen
• Liquid Deuterium
• Solid Deuterium
• Solid Methane, phase II
• Mesitylene
• Toluene

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Silicon

The thermal scattering library for Silicon single cristals was calcualted using NJOY. The library was prepared for room temperature for a single crystal using a Debye model, for use as a neutron filter and neutron transmutation doping calculations (i.e. no coherent component is included).

For more information, please contact Florencia Cantargi (cantargi -at- cab.cnea.gov.ar).

References

• F. Cantargi, J. R. Granada, and R. E. Mayer. Thermal neutron scattering kernels for sapphire and silicon single crystals. Annals of Nuclear Energy, 80. 43-46 (2015)

Libraries

Temperature	ACE files
296 K	silicon.zip

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Sapphire

The thermal scattering library for sapphire (Al2O3) single cristals was calcualted using NJOY. The library was prepared for room temperature for a single crystal using a Debye model, for use as a neutron filter (i.e. no coherent component is included). The library was validated using experimental data from the Bariloche LINAC and is used to calculate the neutron filters in the RA-6 reactor.

For more information, please contact Florencia Cantargi (cantargi -at- cab.cnea.gov.ar).

References

• F. Cantargi, J. R. Granada, and R. E. Mayer. Thermal neutron scattering kernels for sapphire and silicon single crystals. Annals of Nuclear Energy, 80. 43-46 (2015)

Libraries

Temperature	ENDF-6 files	ACE files
293 K	tsl-AlinAl2O3.zip, OinAl2O3.zip	al-sapphire.zip, o-sapphire.zip

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H-2 and O-16 bound in Heavy Water

These libraries are based on the CAB model for heavy water. The libraries were calculated using NJOY in the Gaussian and Sköld approximations. Molecular dynamics simulations using GROMACS were used to calculate the frequency spectra and the partial structure factors.

This evaluation was presented to CSEWG to be considered for the next ENDF/B release. The official files can be downloaded from the GForge server.

For more information, please contact Jose Ignacio Marquez Damian (marquezj -at- cab.cnea.gov.ar).

References

• JI Márquez Damián, JR Granada, D Roubtsov. Improvement on the calculation of D2O moderated critical systems with new thermal neutron scattering libraries. Annals of Nuclear Energy, 71. 206-210 (2014)
• JI Márquez Damián, JR Granada, DC Malaspina. CAB models for water: A new evaluation of the thermal neutron scattering laws for light and heavy water in ENDF-6 format. Annals of Nuclear Energy, 65. 280-289 (2014)

ENDF-6 Libraries

tsl-DinD2O.zip, tsl-OinD2O.zip

Temperature	ACE files
283.6 K	hwtr-283.zip, owtr-283.zip
293.6 K	hwtr-293.zip, owtr-293.zip
323.6 K	hwtr-323.zip, owtr-323.zip
350.0 K	hwtr-350.zip, owtr-350.zip
373.6 K	hwtr-373.zip, owtr-373.zip
400.0 K	hwtr-400.zip, owtr-400.zip
423.6 K	hwtr-423.zip, owtr-423.zip
450.0 K	hwtr-450.zip, owtr-450.zip
473.6 K	hwtr-473.zip, owtr-473.zip
500.0 K	hwtr-500.zip, owtr-500.zip
523.6 K	hwtr-523.zip, owtr-523.zip
550.0 K	hwtr-550.zip, owtr-550.zip
573.6 K	hwtr-573.zip, owtr-573.zip
600.0 K	hwtr-600.zip, owtr-600.zip

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H-1 bound in Light Water

These libraries are based on the CAB model for light water. The effect of oxygen bound in light water was found to be negligible, and can be approximated as a free gas. The libraries were calculated using NJOY in the Gaussian and incoherent approximations. Molecular dynamics simulations using GROMACS were used to calculate the frequency spectra.

This evaluation was presented to CSEWG to be considered for the next ENDF/B release. The official files can be downloaded from the GForge server.

For more information, please contact Jose Ignacio Marquez Damian (marquezj -at- cab.cnea.gov.ar).

References

• JI Márquez Damián, JR Granada, DC Malaspina. CAB models for water: A new evaluation of the thermal neutron scattering laws for light and heavy water in ENDF-6 format. Annals of Nuclear Energy, 65. 280-289 (2014)
• JI Márquez Damián, DC Malaspina, JR Granada. Vibrational spectra of light and heavy water with application to neutron cross section calculations. The Journal of Chemical Physics, 139, 024504 (2013)

ENDF-6 Libraries

tsl-HinH2O.zip

Temperature	ACE files
283.6 K	lwtr-283.zip
293.6 K	lwtr-293.zip
323.6 K	lwtr-323.zip
350.0 K	lwtr-350.zip
373.6 K	lwtr-373.zip
400.0 K	lwtr-400.zip
423.6 K	lwtr-423.zip
450.0 K	lwtr-450.zip
473.6 K	lwtr-473.zip
500.0 K	lwtr-500.zip
523.6 K	lwtr-523.zip
550.0 K	lwtr-550.zip
573.6 K	lwtr-573.zip
600.0 K	lwtr-600.zip

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Free H+ ions in acid solutions in light water

This is a simple library for free H+ ions in aqueous solutions near room temperature. The ENDF library was computed using the Egelstaff-Schofield diffusion model, and an ACE library was prepared for the 1004 isotope, to be able to asign two different thermal treatments to H bound in H2O and free H+ ions using the pseudomaterial method.

For more information, please contact Jose Ignacio Marquez Damian (marquezj -at- cab.cnea.gov.ar).

References

• JI Márquez Damián. Thermal neutron scattering in H + ions in aqueous acid solutions. Technical Report ITE-EN_GIN-FN-002, Neutron Physics Department, CNEA (2015)

Libraries

Temperature	ENDF-6 files	ACE files
296 K	tsl-hion.zip	hion.zip

ACE library for the 1004 isotope, to use in the pseudomaterial method: 1004.zip

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Liquid Hydrogen

For more information, please contact Rolando Granada (granada -at- cnea.gov.ar)

References

• J. R. Granada and V. H. Gillette. A new thermal neutron scattering kernel for liquid hydrogen. Physica B: Condensed Matter, 348. 1-4 (2004)

Libraries

Temperature	ACE files (ortho hydrogen)	ACE files (para hydrogen)
15 K	oh215.zip	ph215.zip
18 K	oh218.zip	ph218.zip

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Liquid Deuterium

For more information, please contact Rolando Granada (granada -at- cnea.gov.ar)

References

• J. R. Granada, V. H. Gillette, M. E. Pepe, and M. M. Sbaffoni. Improved Thermal Neutron Scattering Kernels for Liquid Hydrogen and Deuterium. Journal of Neutron Research, 11. 25-40 (2003)

Libraries

Temperature	ACE files (ortho deuterium)	ACE files (para deuterium)
19 K	od2-19.zip	pd2-19.zip
20 K	od2-20.zip	pd2-20.zip
21 K	od2-21.zip	pd2-21.zip
22 K	od2-22.zip	pd2-22.zip
23 K	od2-23.zip	pd2-23.zip

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Solid Deuterium

For more information, please contact Rolando Granada (granada -at- cnea.gov.ar)

References

• J. R. Granada. Neutron scattering kernel for solid deuterium. Europhysics Letters, 86, 66007 (2009)
• J. R. Granada, F. Cantargi, and J. I. Marquez Damian. Neutron Cross Sections Libraries for Methane in Phase II and Solid Deuterium. Journal of the Korean Physical Society, 59, 1076 (2011)

Libraries

Temperature	ACE files (ortho deuterium)	ACE files (para deuterium)
5 K	sod2.zip	spd2.zip

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H-1 bound in CH4, phase II

For more information, please contact Rolando Granada (granada -at- cnea.gov.ar)

References

• J. R. Granada. Synthetic scattering kernel to describe the interaction of slow neutrons with solid methane in phase II. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 266, 164-172 (2008)
• J. R. Granada, F. Cantargi, and J. I. Marquez Damian. Neutron Cross Sections Libraries for Methane in Phase II and Solid Deuterium. Journal of the Korean Physical Society, 59, 1076 (2011)

Temperature	ENDF-6 files	ACE files
5 K	tsl-HinCH4-phaseII-5K.zip	ch4_f2_5K.zip
10 K	tsl-HinCH4-phaseII-10K.zip	ch4_f2_10K.zip

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Mesitylene

For more information, please contact Florencia Cantargi (cantargi -at- cab.cnea.gov.ar).

References

• F. Cantargi, J. R. Granada. Thermal neutron cross-section libraries for aromatic hydrocarbons. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 268. 2487-2491 (2010)

Libraries

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Toluene

For more information, please contact Florencia Cantargi (cantargi -at- cab.cnea.gov.ar).

References

• F. Cantargi, J. R. Granada. Thermal neutron cross-section libraries for aromatic hydrocarbons. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 268. 2487-2491 (2010)

Libraries