Escolar Documentos
Profissional Documentos
Cultura Documentos
Revision 6
Volume 3, Section M8
ORNL/NUREG/CSD-2/V3/R6
L. M. Petrie
P. B. Fox
K. Lucius
Prepared by the
OAK RIDGE NATIONAL LABORATORY
managed by
LOCKHEED MARTIN ENERGY RESEARCH CORP.
for the
U.S. DEPARTMENT OF ENERGY
under contract DE-AC05-96OR22464
M8.ii
ABSTRACT
This document provides a listing of the Standard Composition Library currently available within the
SCALE system. A separate listing is also provided for available standard solutions that may be specified.
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CONTENTS
Page
ABSTRACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . M8.iii
ACKNOWLEDGMENTS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . M8.vii
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M8.v Vol. 3, Rev. 6
LIST OF TABLES
Page
M8.2.2 The Standard Composition Library – elements and special nuclides by symbols . . . . . . M8.2.15
M8.2.4 The Standard Composition Library – compounds/alloys (atoms per molecule) . . . . . . . M8.2.25
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ACKNOWLEDGMENTS
This work was funded by the U.S. Nuclear Regulatory Commission through the Office of Nuclear
Material Safety and Safeguards and the Office of Nuclear Regulatory Research.
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M8.1 INTRODUCTION
The Standard Composition Library has been included within the SCALE system to provide the user
with a simple and straightforward method of specifying the material mixtures for a given problem. The library
consists of over 600 mixtures and isotopes commonly used within shielding and criticality problems. This
library is tabulated in Sect. M8.2 with the various features of each composition. Additionally, a number of
standard fissile solutions available for use are tabulated in Sect. M8.3.
As the need arises, the Standard Composition Library will be updated to include an even greater
selection of mixtures and solutions. However, if the user has a need to specify a mixture not currently in the
library, this step may be achieved using the procedures described in Sect. M7.5.5.2.
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Vol. 3, Rev. 6 M8.1.2
M8.2 THE STANDARD COMPOSITION LIBRARY
The Standard Composition Library describes the various isotopes, elements (both symbols and full
name), and compounds/alloys that can be used to define the material mixtures for a given problem. Typically,
the alphanumeric description of one or more of these materials will be used to define a material mixture, as
noted in Sect. M7.4.4.
Full-name elements reference Z*1000 identifier. If this identifier is not available on the cross-section
library, the isotope table is then referenced. Elements with symbol names reference the same identifier as full-
name elements with a few exceptions. Elements with 100% abundance of one isotope (e.g., gold) reference that
isotope. Some light elements reference the principal isotopes. (Examples O - 8016, N - 7014, C - 6012, H -
1001)
When formulating a mixture, it is often necessary to know the density (g/cc) of the various constituent
materials. For convenience, the reference values given in the library have been listed in Tables M8.2.1 through
M8.2.5 (at end of this section). Note that the given reference values represent the actual theoretical density,
except in the case of isotopes and some individual nuclides where a default value of 1.0 g/cc was used.
The temperature of a given material can be entered, but is not required (cf. Sect. M7.4.4). However,
the temperature should be entered if resonance data or Bondarenko data are available for the material, or if
thermal-scattering data are available at more than one temperature. Note that nuclides having resonance data
differ from one master cross-section library to another. Section M4 (SCALE Cross-Section Libraries)
addresses resonance data and Bondarenko data in more detail. Users may find this information interesting
and/or helpful.
Multiple sets of iron, nickel, and chromium nuclides are available in the Standard Composition Library
(see Tables M8.2.1 through M8.2.6). These sets correspond to different weighting functions used in generating
the multigroup cross sections. The special weighting functions correspond to 1/E Ft (E), where Ft (E) is the
total cross section of either stainless steel 304 or Inconel for use in mixing such alloys. These weighting
functions specifically apply to the 27- and 218-group libraries generated from ENDF/B-IV data. In order for
the stainless steel and Inconel standard composition identifiers to be usable with the Hansen Roach library, the
218-group library sets with the special weighting functions were collapsed to 16 groups and added to the
Hansen Roach data set. For the 44- and 238-group libraries generated from ENDF/B-V data, there are two
special weighting functions. One special weighting function corresponds to 1/E Ft (E), where Ft (E) is the total
cross section of stainless steel 304. In the other special weighting, Ft (E) is the cross section for the referenced
nuclide. Two standard composition names, SS304S and INCONELS, have been added to reference the
standard iron, nickel, and chromium nuclides instead of the specially weighted ones. Entries have been added
to the isotopic distribution table so that standard weighted isotopes will be requested if the desired nuclide is
not on the specified library.
The nuclide identifying numbers (ID) are listed in column 3 of Tables M8.2.1 through M8.2.5.
Typically, the ID number is A +1000*Z, where Z and A are the charge and mass numbers for the nuclide (e.g.,
1001 for hydrogen and 8016 for oxygen). Exceptions to this rule include metastable nuclides, nuclides with
bound thermal scattering data, and nuclides whose cross sections have a special weighting. Also, elements with
isotopic mixtures (typically natural abundance) have ID numbers of Z*1000.
The nuclide's mass, Ft and Fs, are shown in Table M8.2.6, the nuclide identification table. The Ft and
F s values are used in generating resonance self-shielding parameters and in generating the spatial mesh for
XSDRN. If the nuclide occurs in the 238-group ENDF/B-V cross-section library, the values in the table are
the result of integrating the data for that nuclide over the groups between 5 eV and 5 keV using a flat in
lethargy over Ft weight function. Nuclides that do not occur in this library but do occur in a 199-group
ENDF/B-VI library are generated from that library in the same fashion. Data for other nuclides are of
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unknown origin. If a nuclide identifier is listed in this table, it can be accessed and used in an arbitrary
material. Arbitrary materials require the user to provide all the information normally found in the Standard
Composition Library.
Those materials in the Standard Composition Library containing multiple isotopes of a single element
are denoted in columns 4 and 5 of Table M8.2.3. For these materials, the user is free to specify the isotopic
distribution using items 6a and 6b of the Standard Composition Specification Card discussed in Sects. M7.4.4
and C4.4.4. Alternatively, the user may elect not to enter this data, thereby telling the code to assume the
default values shown in column 3 of Table M8.2.3. In all cases except plutonium, Table M8.2.3 lists the
naturally occurring abundance of each isotope. In describing an arbitrary material, a multiple isotope ID of
Z * 1000 (where Z is the nuclide charge number) can be used to denote the elements of Table M8.2.3. Then,
if an isotope distribution other than the default values of Table M8.2.3 is desired, items 6a and 6b of the
Standard Composition Specification Card (see Sect. M7.4.4) must be included.
Atomic masses for the isotopes were taken from ENDF/B-VI1 where available except for 16O. The
atomic masses of remaining nuclides were taken from ENDF/B-V2 if available there. If not available from the
above sources, the atomic masses were taken from the GE Chart of the Nuclides.3 Potassium-40 was not
available in any of these sources and was taken from the Trilinear Chart of the Nuclides.4 The atom percents
of the isotopic distribution table were taken from the GE Chart of the Nuclides. Densities were taken from the
CRC Handbook.5 Gases and explicit isotopes were changed to all have a theoretical density of 1.0 g/cc.
To more fully document the composition of each compound and/or document the assumptions used
in producing the associated cross-section data, a brief description of each material in Tables M8.2.4 and
M8.2.5 is included here:
B4C Boron carbide: B4C; natural isotopic distribution obtained by default, 2.52 g/cc
H2O Water: cross sections developed using 1/E weighting everywhere, 0.9982 g/cc
H2O-X(E)-HR Water: cross sections developed using fission spectrum weighting at high
energies and 1/E at lower energies, 0.9982 g/cc (Hansen-Roach library only)
NORPAR(H2O) Normal Paraffin 13: C13H28 0.76 g/cc, uses hydrogen in water thermal kernel
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Vol. 3, Rev. 6 M8.2.2
PARA(H2O) Paraffin: C25H52, 0.90 g/cc, uses hydrogen in water thermal kernel
POLY(H2O) Polyethylene: CH2, 0.923 g/cc uses hydrogen in water thermal kernel
PVC(H2O) Polyvinyl chloride: C2H3Cl, 1.6 g/cc uses hydrogen in water thermal kernel
TBP(H2O) Tributyl phosphate: (C4H9)3PO4, 0.9724 g/cc uses hydrogen in water thermal kernel
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UO2F2 Uranyl fluoride: UO2F2, 6.37 g/cc
KERO(H2O) Average kerosene: 84 wt % carbon, 16 wt % hydrogen, 0.82 g/cc uses hydrogen for
water thermal kernel
ORCONCRETE Oak Ridge Concrete: 41.02 wt % oxygen, 32.13 wt % calcium, 17.52 wt % carbon,
3.448 wt % silicon, 3.265 wt % magnesium, 1.083 wt % aluminum, 0.7784 wt %
iron, 0.6187 wt % hydrogen, 0.1138 wt % potassium, .0271 wt % sodium,
2.2994 g/cc
PYREX Pyrex: 53.5 wt % oxygen, 37.7 wt % silicon, 4.1 wt % sodium, 3.7 wt % boron,
1.0 wt % aluminum, 2.23 g/cc
REG-CONCRETE Regular Concrete: 53.2 wt % oxygen, 33.7 wt % silicon, 4.4 wt % calcium, 3.4 wt %
aluminum, 2.9 wt % sodium, 1.4 wt % iron, 1.0 wt % hydrogen, 2.3 g/cc
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Vol. 3, Rev. 6 M8.2.4
RFCONCRETE Rocky Flats Concrete: 48.49 wt % oxygen, 23 wt % calcium, 15.5 wt % silicon,
5.52 wt % carbon, 2.17 wt % aluminum, 1.37 wt % potassium, 1.25 wt %
magnesium, 1.01 wt % iron, 0.75 wt % hydrogen, 0.63 wt % sodium, 0.19 wt %
sulfur, 0.1 wt % itianium, 0.02 wt % nitrogen, 2.231 g/cc
U(.27)METAL Depleted uranium metal having a fixed isotope distribution: 0.27 wt % 235U,
99.73 wt % 238U 19.05 g/cc (to specify a different distribution, the user should use
URANIUM instead of U(.27)METAL) 19.05 g/cc
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Table M8.2.1 The Standard Composition Library - isotopes
Alphanumeric Alphanumeric
isotope Default Nuclide isotope Default Nuclide
identifier density identifier identifier density identifier
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Table M8.2.1 (continued)
Alphanumeric Alphanumeric
isotope Default Nuclide isotope Default Nuclide
identifier density identifier identifier density identifier
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Table M8.2.1 (continued)
Alphanumeric Alphanumeric
isotope Default Nuclide isotope Default Nuclide
identifier density identifier identifier density identifier
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Table M8.2.1 (continued)
Alphanumeric Alphanumeric
isotope Default Nuclide isotope Default Nuclide
identifier density identifier identifier density identifier
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Table M8.2.1 (continued)
Alphanumeric Alphanumeric
isotope Default Nuclide isotope Default Nuclide
identifier density identifier identifier density identifier
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Table M8.2.1 (continued)
Alphanumeric Alphanumeric
isotope Default Nuclide isotope Default Nuclide
identifier density identifier identifier density identifier
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Table M8.2.1 (continued)
Alphanumeric Alphanumeric
isotope Default Nuclide isotope Default Nuclide
identifier density identifier identifier density identifier
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Table M8.2.1 (continued)
Alphanumeric Alphanumeric
isotope Default Nuclide isotope Default Nuclide
identifier density identifier identifier density identifier
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Table M8.2.1 (continued)
Alphanumeric Alphanumeric
isotope Default Nuclide isotope Default Nuclide
identifier density identifier identifier density identifier
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Table M8.2.2 The Standard Composition Library – elements and special nuclides by symbols
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Table M8.2.2 (continued)
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Table M8.2.2 (continued)
TL 11.85 81000
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Table M8.2.3 The Standard Composition Library – elements by full name
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Table M8.2.3 (continued)
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Table M8.2.3 (continued)
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Table M8.2.3 (continued)
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Table M8.2.3 (continued)
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Table M8.2.3 (continued)
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Table M8.2.3 (continued)
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Table M8.2.4 The Standard Composition Library – compounds/alloys
(atoms per molecule)
Alphanumeric Number
compound/alloy of atoms
identifier Densitya Nuclide per molecule
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Table M8.2.4 (continued)
Alphanumeric Number
compound/alloy of atoms
identifier Density Nuclide per molecule
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Table M8.2.4 (continued)
Alphanumeric Number
compound/alloy of atoms
identifier Density Nuclide per molecule
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Table M8.2.5 The Standard Composition Library – compounds/alloy
(weight percent)
Alphanumeric
compound/alloy
name Densitya Nuclide Weight %
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Table M8.2.5 (continued)
Alphanumeric
compound/alloy
name Density Nuclide Weight %
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Table M8.2.5 (continued)
Alphanumeric
compound/alloy
name Density Nuclide Weight %
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Table M8.2.6 The Standard Composition Library – nuclide identification
Fs Ft
Nuclide (resonance energy (resonance energy
identifier Massa scattering cross section) total cross section)
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Table M8.2.6 (continued)
Fs Ft
Nuclide (resonance energy (resonance energy
identifier Massa scattering cross section) total cross section)
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Table M8.2.6 (continued)
Fs Ft
Nuclide (resonance energy (resonance energy
identifier Massa scattering cross section) total cross section)
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Table M8.2.6 (continued)
Fs Ft
Nuclide (resonance energy (resonance energy
identifier Massa scattering cross section) total cross section)
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Table M8.2.6 (continued)
Fs Ft
Nuclide (resonance energy (resonance energy
identifier Massa scattering cross section) total cross section)
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Table M8.2.6 (continued)
Fs Ft
Nuclide (resonance energy (resonance energy
identifier Massa scattering cross section) total cross section)
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Table M8.2.6 (continued)
Fs Ft
Nuclide (resonance energy (resonance energy
identifier Massa scattering cross section) total cross section)
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Table M8.2.6 (continued)
Fs Ft
Nuclide (resonance energy (resonance energy
identifier Massa scattering cross section) total cross section)
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Table M8.2.6 (continued)
Fs Ft
Nuclide (resonance energy (resonance energy
identifier Massa scattering cross section) total cross section)
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Table M8.2.6 (continued)
Fs Ft
Nuclide (resonance energy (resonance energy
identifier Massa scattering cross section) total cross section)
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Table M8.2.6 (continued)
Fs Ft
Nuclide (resonance energy (resonance energy
identifier Massa scattering cross section) total cross section)
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Table M8.2.6 (continued)
Fs Ft
Nuclide (resonance energy (resonance energy
identifier Massa scattering cross section) total cross section)
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M8.3 TABLE OF AVAILABLE SOLUTIONS
The Standard Composition Library (Tables M8.2.1 through M8.2.6) describes the various compounds,
alloys, elements, and isotopes one may use in defining the material mixtures for a given problem. In addition
to the various materials listed there, one is also free to use any of the fissile solutions listed in Table M8.3.1.
Indeed, the user is encouraged to treat the solutions listed in Table M8.3.1 as he would any other standard
composition. Using empirical fits to experimental data, the code will then automatically calculate the volume
fraction corresponding to the heavy metal, acid, and water components of the solution.
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M8.4 REFERENCES
3. “Chart of the Nuclides,” Nuclides and Isotopes, Fourteenth Edition, General Electric Company,
Revised 1989.
4. William H. Sullivan, Trilinear Chart of Nuclides, U.S. Atomic Energy Commission, January 1957.
5. CRC Handbook of Chemistry and Physics, 64th Edition, CRC Press, Boca Raton, Florida, 1983-
1984.
6. International Methods Handbook, Vol. III, 10th Ed., American Society for Metals, 1990.
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