10.2.1. Acknowledgements

Development and testing of ORIGEN data resources, libraries, and methods have been sponsored by many organizations including the US Nuclear Regulatory Commission (NRC), the US Department of Energy (DOE), and nuclear power and research institutions.

10.2.2. Version Information

Following is a description of the data resources available for use with ORIGEN in different SCALE versions. Methodologies and algorithms used in applying the data are described in the ORIGEN chapter.

10.2.2.1. Version 6.3 (2021)

Data lead(s): A. Holcomb and W. Wieselquist

Nuclear data in ORIGEN has had minor updates for SCALE 6.3. The old ENDF/B-VII.0 libraries have been removed. There are new libraries for 302-groups (for fast-spectrum systems) and 1597-groups as an very fine group option for any spectrum. Data for recoverable energy per capture for Gd-155 and Gd-157 has been updated from 5 MeV to 8.5360 and 7.9370 MeV, respectively.

10.2.2.2. Version 6.2 (2016)

Data lead(s): I. C. Gauld, D. Wiarda, M. Pigni, and W. Wieselquist

Nuclear data in ORIGEN are unchanged from SCALE 6.1.3 except for the modification of independent fission yields for thermal fission of 235U and 241Pu and fast fission of 238U to provide greater compatibility between the direct and cumulative fission yields when using the updated decay data from ENDF/B-VII.1. Additionally, ORIGEN no longer has its own independent source of nuclide mass and abundance data and now relies on the SCALE Standard Composition library so that there is consistency in this data across SCALE. D. Mueller and W. Wieselquist are acknowledged for testing of the new yield data. W. Wieselquist and S. Hart are acknowledged for the revision of this chapter.

10.2.2.3. Version 6.1.3 (2011)

Data lead (s): I. C. Gauld and D. Wiarda

SCALE 6.1 represented a complete revision and update of the nuclear data available in ORIGEN. The following is a summary from the SCALE 6.1 manual.

The ORIGEN data libraries include nuclear decay data, neutron reaction cross sections, neutron induced fission product yields, delayed gamma-ray emission data, and neutron emission data. The nuclear decay data libraries have been updated based on ENDF/B-VII evaluations and expanded to include 903 activation products and structural materials, 174 actinides, and 1149 fission products. The cross section libraries have been revised using evaluations from the JEFF-3.0/A neutron activation file, containing data for 774 target nuclides, more than 12,000 neutron-induced reactions, and more than 20 different reaction types below 20 MeV. The JEFF-3.0/A activation file is processed into several multigroup cross section libraries, from 44 groups to 238 groups, that can be used to determine the neutron reaction transition rates in ORIGEN. Energy-dependent ENDF/B-VII fission product yields are provided for 30 fissionable actinides. Photon yield data libraries have been updated based on the most recent ENSDF nuclear structure evaluations processed using the NuDat program. The photon libraries contain discrete photon line energy and intensity data for decay gamma and x-rays emission for 982 radionuclides, prompt and equilibrium continuum fission product spectra from spontaneous fission, \(\left( \alpha,n \right)\) reactions in oxide fuel, and bremsstrahlung from decay beta (negatron and positron) particles slowing down in either UO2 fuel or water matrix. Methods and data libraries used to calculate the neutron yields and energy spectra for spontaneous fission, \(\left( \alpha,n \right)\) reactions in any matrix, and delayed neutron emission are adopted from the SOURCES code. The libraries used by ORIGEN can be coupled directly with detailed and problem-dependent physics calculations to obtain self-shielded problem-dependent cross sections based on the most recent evaluations of ENDF/B-VII. In addition, the library formats allow multiple sets of cross section data to be stored on a library to represent the changes in cross sections during irradiation.

10.2.3. Introduction

ORIGEN data resources include nuclear decay data, multigroup neutron reaction cross sections, neutron-induced fission product yields, and decay emission data for photons, neutrons, alpha particles and beta particles. The available resources are summarized in Table 10.2.1 and described in greater detail in the subsequent sections. The “Unit” column shows the corresponding unit number for use with FIDO input systems (e.g. with COUPLE).

Table 10.2.1 Available resources in ORIGEN

Description

Alias

Unit

Category

Location in SCALE data directory

ENDF/B-VII.1 decay data

decay

27

Decay

origen_data/origen.rev03.decay.data

ENDF/B-VII.0-based fission yield data

yields

17

Yield

origen_data/origen.rev05.yields.data

JEFF-3.0/A - 56g

n56

75

Reaction

origen.rev01.jeff56g

JEFF-3.0/A - 200g

n200

78

Reaction

origen.rev03.jeff200g

JEFF-3.0/A - 252g

n252

74

Reaction

origen.rev01.jeff252g

JEFF-3.0/A - 302g

n302

Reaction

origen.rev00.jeff302g

JEFF-3.0/A - 1597g

n1597

Reaction

origen.rev00.jeff1597g

Energy per fission and capture

Energy

n/a

Master photon (x-ray and gamma) emission data

Emission

origen_data/origen.rev04.mpkkxgam.data

Spontaneous fission and \(\left(\alpha,n \right)\) reaction gamma rays

Emission

origen_data/origen.rev00.mpsfangm.data

Bremsstrahlung from beta particles slowing down in water

Emission

origen_data/origen.rev00.mpbrh2om.data

Bremsstrahlung from positrons slowing down in water

Emission

origen_data/origen.rev00.mpbrh2op.data

Bremsstrahlung from beta particles slowing down in UO2

Emission

origen_data/origen.rev00.mpbruo2m.data igen_data/or

Bremsstrahlung from positrons

Emission

origen_data/origen.rev00.mpbruo2p.data

Neutron source emission and alpha decay data

Emission

origen_data/origen.rev01.alphdec.data rigen_data/o

Alpha particle stopping cross section expansion coeffcients

Emission

origen_data/origen.rev00.stcoeff.data

Target \(\left( \alpha,n\right)\) product excited level branching data

Emission

origen_data/origen.rev00.alphyld.data

Target \(\left(\alpha,n \right)\) cross section data

Emission

origen_data/origen.rev00.alphaxs.data

Beta source emission data

Emission

origen_data/origen.rev00.ensdf95beta.data

10.2.4. Decay Resource

The nuclear data stored on the decay resource is based on ENDF/B-VII.1 evaluations [Origen-Data-ResourcesCHO+11], including half-lives, decay modes and branching fractions, and recoverable energy per disintegration. Decay modes include beta (\(\beta^-\)), positron (\(\beta^+\)) and electron capture (EC), isomeric transition (IT), alpha (\(\alpha\)), spontaneous fission (SF), delayed neutron (\(\beta^-\,n\)) emission, neutron emission (n), double beta decay \(\left( \beta^- \beta^- \right)\), and decay by beta and alpha emission (\(\beta^- \alpha\)). The decay resource also includes radiotoxicity factors based on the radioactivity concentration guides (RCGs) for air and water as defined in Part 10, Title 20, of the Code of Federal Regulations (10CFR20) [Origen-Data-Resources10c]. RCGs specify the maximum permissible concentrations of an isotope in soluble and insoluble forms for both ingestion and inhalation and for occupational and unrestricted exposure. The radiotoxicity is calculated as the dilution volume of a nuclide for cases of direct ingestion or inhalation. The values are defined to be the smaller (i.e., more toxic) of the values for soluble and insoluble forms of the isotope. The maximum permissible RCGs for air and water are the public exposure limits for adult ingestion and inhalation dose coefficients of ICRP Publication 72 [Origen-Data-ResourcesInternationalCoRPICRP77]. External exposure dose coefficients for noble gases were obtained from the Environmental Protection Agency (EPA) Federal Guidance Report 12 [Origen-Data-ResourcesUEPAEPA93]. Recoverable energy includes the delayed energy from all electron-related radiations (e.g., \(\beta^-\), \(\beta^+\), Auger electrons), all gamma rays, x-rays, annihilation radiations, and the average energy of all heavy charged particles and delayed neutrons. The average alpha energy includes the energy of the recoil nucleus. A part of the recoverable energy per decay not included in the ENDF/B-VII.1 values is the additional contribution from spontaneous fission. This energy was calculated as the product of the spontaneous fission branching fraction and recoverable energy per fission using a value of 200 MeV per fission and then added to the ENDF/B-VII.1 recoverable Q energy. A value of 12.56 MeV gamma energy per fission was used in computing the fraction of recoverable spontaneous fission energy from gamma rays. External Bremsstrahlung radiation is not included in the Q-value since the Bremsstrahlung spectrum depends on electron interactions with the medium that contains the decay nuclide. The energy from capture gamma rays accompanying \(\left( \alpha,n \right)\) reactions is not included either since it also depends on the medium.

Appendix A describes the decay resource file format. It is important to note that the decay resource not only defines fundamental decay data, but also the complete ORIGEN nuclide set, including the “duplicates” of nuclides across sublibraries. For example, a version of 155Gd is contained in both the light nuclide/activation product and fission product sublibraries. Appendix D includes the full list of the nuclides on the ORIGEN decay library “end7dec” created by COUPLE based on the current decay resource, including duplicates. Appendix E contains a list of the fundamental decay data only, without duplicates. To consider a different set of nuclides in an ORIGEN calculation, the current process is to alter the decay resource and then regenerate the “end7dec” decay library with COUPLE. By default, all subsequent libraries created from COUPLE using problem-dependent reaction transitions are based on the “end7dec” decay library and will therefore include the modified nuclide set.

10.2.5. Neutron Reaction Resource

The neutron cross sections defining the nuclear reaction transmutation rates use a comprehensive collection of nuclear data evaluations compiled from the JEFF-3.0/A neutron activation files [Origen-Data-ResourcesSKFK03]. The JEFF-3.0/A files contain continuous energy neutron data for 774 target nuclei, including ground and metastable excited states, and 12,617 neutron-induced reactions below 20 MeV. The JEFF-3.0/A cross section data are developed directly from the European Activation File (EAF-2003) [Origen-Data-ResourcesFKS02] formatted as standard ENDF-6 format data. JEFF-3.0/A cross sections are stored using File 3, multiplicities on File 10, and isomeric branching to different metastable levels using File 9. The evaluations include many reactions that may be important for modeling fast fission and other high-energy systems. Neutron reactions are available for 23 reaction types, including \(\left(n,n' \right)\), \(\left(n,2n \right)\), \(\left(n,3n \right)\), \(\left(n,f \right)\), \(\left(n,n' \alpha \right)\), \(\left(n,2n\alpha\right)\), \(\left(n,3n\alpha \right)\), \(\left(n,n'p \right)\), \(\left(n,n2\alpha \right)\), \(\left(n,n'd \right)\), \(\left(n,n't \right)\), \(\left(n,n'{}^3 He \right)\), \(\left(n,4n \right)\), \(\left(n,2np \right)\), \(\left(n,\gamma \right)\), \(\left(n,p \right)\), \(\left(n,d \right)\), \(\left(n,t \right)\), \(\left(n,{}^3\ He \right)\), \(\left(n,\alpha \right)\), \(\left(n,2\alpha \right)\), \(\left(n,2p \right)\), and \(\left(n,p\alpha \right)\).

The JEFF-3.0/A evaluations also include extensive compilations of energy-dependent branching fractions that define neutron reaction transitions to ground and metastable energy states. Energy-dependent branching is fully implemented in the ORIGEN cross section libraries. Implementation of the JEFF-3.0/A cross sections as ORIGEN multigroup data was accomplished by processing and collapsing the JEFF-3.0/A pointwise cross sections into a standard multigroup AMPX format using ENDF data-processing modules of the AMPX [Origen-Data-ResourcesDG02] cross section processing code system. The collapse is performed using a thermal Maxwellian-1/E-fission-1/E weighting spectrum (see Fig. 10.2.1) to provide infinite dilution multigroup cross sections.

../_images/collapse-flux.png

Fig. 10.2.1 Pointwise flux spectrum used to generate collapsed cross section libraries.

Neutron reactions with transitions to multiple states of the daughter product are represented using separate cross sections to the ground and metastable states. A special reaction identifier (MT’) is defined for this implementation of metastable transitions as

(10.2.1)\[\text{MT}' = \text{MT}*10000 + 100*\text{LP} + \text{LT}\]

where MT is the reaction identifier, LP is the product metastable state, and LT is the target metastable state. Using the 187W(n,3n)185W cross section (MT=17) as an example, the reaction identifier 170000 defines the partial cross section to the ground state of 185W, and 170100 defines the cross section to metastable 185mW.

Cross section data from the JEFF-3.0/A neutron activation file are first converted to point-wise cross section data, are Doppler broadened to 900K, and then they are collapsed to different group structures. The following group strucures are available in SCALE:

  • 238-group neutron (thermal applications),

  • 252-group neutron (thermal applications),

  • 56-group neutron (thermal applications),

  • 200-group neutron (fast applications and shielding),

  • 47-group neutron (applications using the BUGLE shielding transport library),

  • 49-group neutron (collapsed version of 238 groups),

  • 44-group neutron (collapsed version of 238 groups), and

  • 999-group neutron (multipurpose).

Several minor modifications were made to the JEFF-3.0/A data:

  • The 239Np radiative neutron capture cross section was replaced with data from ENDF/B-VII.0. Neutron capture using JEFF-3.0/A cross sections was significantly larger than ENDF/B-VII.0 due to differences in the resonance cross section region. Although experimental resonance parameters are not available for 239Np, comparisons of 240Pu production during irradiation [Origen-Data-ResourcesGum54] obtained using the two evaluations showed that better agreement with the experiment was obtained using the ENDF/B-VII.0 evaluation.

  • The \({}^{241} Am (n,\gamma)\) branching fraction to the 242Am ground and metastable states was replaced by the evaluation from ENDF/B-VII.0 to yield better agreement with the results of destructive radiochemical assay measurements of irradiated fuels. The branching fraction of 241Am to 242mAm for thermal neutron capture changed from 8.2% in JEFF-3.0/A to 10.0% in ENDF/B-VII.0.

The cross section library header record information and a complete list of nuclides in JEFF-3.0/A libraries developed for ORIGEN are provided in Appendix E.

Because JEFF-3.0/A-based libraries are formatted as standard AMPX working libraries, they can be accessed and/or manipulated using standard AMPX utility modules in SCALE. For example, multigroup cross sections may be listed using the PALEALE module. Additionally, the data may be visualized using the Fulcrum user interface. Cross section plots of the 238-group JEFF-3.0/A library are illustrated in Fig. 10.2.2 for \((n,\gamma)\), \((n,\alpha)\), (n,2n), and (n,3n) cross sections to the ground and metastable states.

Before the cross sections in ORIGEN can be used, they must be collapsed with a user-defined multigroup flux to a one-group cross section and added to the ORIGEN binary library (see the COUPLE input description).

../_images/JEFF-w-187-plot.png

Fig. 10.2.2 238-group JEFF-3.0/A cross sections for 187W.

10.2.6. Fission Yield Resource

The fission-yield resource contains the energy-dependent direct yields of each fission product for 30 fissionable actinides, including 227,228,232Th, 231Pa, 232–238U, 238-242Pu, 241,242m,243Am, 237,238Np, 242-246,248Cm, 249,252Cf, and 254Es. Independent (direct) fission product yields are stored as atom percent per fission, and except for 235U(thermal), 238U(fast), and 241Pu(thermal), they are obtained from ENDF/B-VII.0 [Origen-Data-ResourcesCOH+06] File 8 and MT=454.

Revised independent fission product yields for 235U(thermal), 238U(fast), and 241Pu(thermal) were adopted to address inconsistencies between the direct and cumulative fission yields in ENDF/B-VII.0 caused by the use of updated nuclear decay schemes in the decay sublibrary [Origen-Data-ResourcesFWP15, Origen-Data-ResourcesPFG15]. Namely, recent changes in the decay data, particularly the delayed neutron branching fractions, result in calculated fission product concentrations that do not agree with the cumulative fission yields in the ENDF/B-VII.0 library. These issues were particularly evident for the three cited isotopes because their fissioning systems result in a preferential formation of fragments that are sensitive to the changes in the decay data. For example, a study on 239Pu(thermal) showed negligible differences between cumulative yields calculated (using the recent decay data sublibrary) and the cumulative yields in ENDF/B-VII.0. Energy-dependent product yields are available for thermal, fast, and high-energy incident neutron energies. For fast fission, the value of the energy of incident neutron was modified from the value of 500 keV tabulated in ENDF/B-VII.0 to more accurately represent the relationship between the energy distribution of the neutrons causing fission and the and the fission neutron spectrum energy. For this implementation of the yield data, the effective incident neutron energy for fast fission was adjusted from 500 keV to 2.0 MeV to better reflect the average fission energy of most nuclides. The neutron energies for thermal fission (0.0253 eV) and high energy fission (14 MeV) are unchanged.

The fission product yields also include cumulative ternary yields from the JEF-2.2 fission yield library [Origen-Data-ResourcesNuclearEAgency00] for 3H and 4He. The nuclide 3He was also added to the fission product library since it is a decay product of tritium.

Note that inclusion of fission yields for each actinide in an ORIGEN library can be controlled by the user through COUPLE. Actinides not assigned with explicit yields do not produce fission products during fission.

Table 10.2.2 Fissionable isotopes having explicit fission yields

Nuclide

Neutron-induced fission energies 1

227Th

Thermal

229Th

Thermal

232Th

Fast

High energy

231Pa

Fast

232U

Thermal

233U

Thermal

234U

Fast

High energy

235U

Thermal

Fast

High energy

236U

Fast

High energy

237U

Fast

238U

Fast

High energy

237Np

Thermal

Fast

High energy

238Np

Fast

238Pu

Fast

239Pu

Thermal

Fast

High energy

240Pu

Thermal

Fast

High energy

241Pu

Thermal

Fast

242Pu

Thermal

Fast

High energy

241Am

Thermal

Fast

High energy

242mAm

Thermal

243Am

Fast

242Cm

Fast

243Cm

Thermal

Fast

244Cm

Fast

245Cm

Thermal

246Cm

Fast

248Cm

Fast

249Cf

Thermal

251Cf

Thermal

254Es

Thermal

1

Neutron energy causing fission

10.2.7. Energy Resource

The energy resource includes the recoverable energy (“kappa”) from any nuclear reaction, usually at least fission and capture.

10.2.7.1. Library structure

The kappa HDF resource provides the flexibility to store recoverable energy for any incident particle and any reaction (MT number). Special nuclides “default_fissionable” and “default_nonfissionable” are used to provide default kappa values for fissionable and non-fissionable nuclides for which data are not specifically provided in the data resource.

  • the root level:
    • stores type “Origen::EnergyResource”

    • stores incident particle: “neutron”

    • stores data revision: “v0.1”

    • stores format version: “0” (+1 every time any data on the library are changed)

    • stores date of last modification

    • group for each nuclide:
      • SCALE ID as group name

      • nuclide name (as ATTRIBUTE)

      • data source (as ATTRIBUTE): ENDF/B-IV, CASL report, etc.

      • 1-group kappa-fission

      • 1-group kappa for several non-fission reactions

10.2.7.2. SCALE’s kappa libraries

SCALE’s data directory includes two kappa resources, providing the opportunity for calculations with data from previous SCALE releases:

  1. kappa_scale62.h5
    • data as used in SCALE 6.2 (mainly ENDF/B-IV)

    • kappa-fission stored as MT=18

    • kappas for non-fission stored as MT=6666

  2. kappa.h5 (default)
    • data as used in SCALE 6.3 (mainly ENDF/B-IV, Gd values based on [IntroKCC+17])

    • kappa-fission stored as MT=18

    • kappas for non-fission stored as MT=6666

Both libraries contain data only for fission and capture. Because capture includes a variety of non-fission reactions, a special MT number 6666 is used for the data on these kappa resources. Later versions of this resource will contain recoverable energy resolved according to their various reaction channels, as well as corresponding distributions, uncertainties, and potentially correlations.

The recoverable energy values as currently stored in the default resource kappa.h5 are listed in Table 10.2.3 and Table 10.2.4. The recoverable energy for fission and neutron capture for nuclides not listed in the tables are assumed to be 200 MeV and 5.0 MeV, respectively.

Table 10.2.3 Recoverable energy (MeV) values for actinides in kappa.h5

Nuclide

Fission

Capture

230Th

190.000

5.0100

232Th

189.210

4.7860

233Th

190.000

6.0800

231Pa

190.000

5.6600

233Pa

189.100

5.1970

232U

200.000

5.9300

233U

191.290

6.8410

234U

190.300

5.2970

235U

194.020

6.5451

236U

192.800

5.1240

238U

198.122

4.8040

237Np

195.100

5.4900

239Np

200.000

4.9700

238Pu

197.800

5.5500

239Pu

200.050

6.5330

240Pu

199.790

5.2410

241Pu

202.220

6.3010

242Pu

200.620

5.0710

243Pu

200.000

6.0200

241Am

202.300

5.5290

242mAm

202.290

6.4260

243Am

202.100

5.3630

244Cm

200.000

6.4510

245Cm

200.000

6.1100

Table 10.2.4 Recoverable energy (MeV) values for activation and fission products in kappa.h5

Nuclide

Capture

1H

2.2246

10B

2.7900

16O

4.1430

56Fe

7.6000

58Ni

9.0200

90Zr

7.2026

91Zr

8.6351

92Zr

6.7580

96Zr

5.5710

95Mo

9.1542

95Tc

7.7100

101Ru

9.2161

103Rh

6.9993

105Rh

7.0941

109Ag

6.8250

131Xe

8.9363

135Xe

7.8800

133Cs

6.7044

134Cs

6.5500

143Nd

7.8174

145Nd

7.5654

147Pm

5.9000

148Pm

7.2660

148mP

7.2660

147Sm

8.1402

149Sm

7.9824

150Sm

5.5960

151Sm

8.2580

152Sm

5.8670

153Eu

6.4440

154Eu

8.1670

155Eu

6.4900

155Gd

8.5360

157Gd

7.9370

10.2.8. Emission Resources

The two main groups for emission resources are the photon (gamma) resource, which includes beta particle emission data, and the neutron resource, which includes alpha emission data.

10.2.8.1. Gamma Emission

The resources for gamma emission are stored as separate files (see Table 10.2.5) containing the photon data associated with different modes of decay or photon production. The photon data sets include decay gamma and x-ray line-energy data, gamma rays accompanying spontaneous fission, gamma rays accompanying \(\left( \alpha,n \right)\) reactions in oxide fuels, and Bremsstrahlung spectra from decay electrons/positrons slowing down in UO2 and water. The photon energy spectra can be generated in any energy group structure for all activation products, actinides, and fission product nuclides with photon yield data.

Table 10.2.5 Photon data files

File name

Description

MPDKXGAM

x-ray and gamma emissions line data

MPSFANGM

spontaneous fission and \(\left( \alpha,n \right)\) reactions

MPBRH2OM

bremsstrahlung from beta particles slowing down in water

MPBRH2OP

bremsstrahlung from positrons slowing down in water

MPBRUO2M

bremsstrahlung from beta particles slowing down in UO2

MPBRUO2P

bremsstrahlung from positrons slowing down in UO2

All photon data sets are constructed with the same format (see Appendix C). The majority of the photon emissions are discrete energy lines. Photon continuum data, used to represent Bremstrahlung and some other gamma-ray emission spectra, are stored at discrete energies and approximately expanded to a continuum, as needed. Gamma and x-ray yields are directly from ENDF/B-VII.1 decay files containing spectral data for decay transitions of 1,132 nuclides. A separate file contains emission spectra for gamma rays accompanying spontaneous fission and for gamma rays accompanying \(\left( \alpha, n \right)\) reactions in oxide fuels [Origen-Data-ResourcesCHG79]. The spontaneous fission spectra combine prompt and equilibrium fission product gamma-ray components. The prompt spectrum is similar to that of 235U, and the delayed fission product gamma intensity at equilibrium is about 0.75 of that from the prompt fission gamma rays. Based on measured prompt fission gamma spectra from 235U, spontaneous fission spectra are computed from the following approximation:

(10.2.2)\[\begin{split}N\left(E \right) \cong \begin{cases} 11.5 & 0.1 \leq\ E \leq 0.6\ MeV \\ 35.4 e^{-1.78 E} & 0.6 \leq E < 1.5\ MeV \\ 12.6 e^{-1.09 E} & 1.5 \leq E \leq 10.5\ MeV \\ 0 & \text{otherwise.} \end{cases}\end{split}\]

where

N(E) = number of photons per unit energy per fission (photons/MeV per fission) at energy E, where E is the photon energy (MeV).

For medical and industrial spontaneous fission source applications, a more accurate simulation of the source may be desirable. Work has been performed on 252Cf source modeling to explicity represent the fission product generation from fission and the delayed gamma emission. In this application, the equilibrium spontaneous fission gamma spectrum was replaced with an evaluation of the 252Cf prompt gamma spectrum, and the delayed fission product gamma rays was modeled explicitly in ORIGEN by generating the time-dependent fission products using 252Cf spontaneous fission product yields from ENDF/B-VII.0 [Origen-Data-ResourcesIGW11]. This was performed by adding decay transitions to the ORIGEN library from the actinides to the fission products. The spectrum of gamma rays accompanying \(\left( \alpha,n \right)\) reactions is based on reaction data for alpha interactions on 18O and from studies for 238PuO2 systems. The spectrum is computed from the approximation:

(10.2.3)\[N\left( E \right) \cong 2.13 \cdot 10^{-8}\ e^{- 1.38E}\]

where

N(E) = number of photons per unit energy per alpha decay (photons/MeV per disintegration) at energy E (MeV).

The photon yields in this data set are continuum spectra represented by discrete lines with an energy width of 500 keV and range from 250 keV to 10.25 MeV.

Two photon data sets contain bremsstrahlung spectra from decay electrons and positrons slowing down in a UO2 fuel matrix. The yields are in the form of continuum spectra represented in the data sets as discrete lines using up to 70 quasi-logarithmic spaced energy points over the energy range between 0 and 13.5 MeV. Two libraries contain bremsstrahlung spectra from decay electrons and positrons slowing down in water. Bremsstrahlung spectra were calculated using a computer program developed by Dillman et al. [Origen-Data-ResourcesDSF73] using beta spectra derived from Evaluated Nuclear Structure Data Files (ENSDF) decay data with a computer program written by Gove and Martin [Origen-Data-ResourcesGM71].

10.2.8.2. Neutron Emission

There are four neutron emission resources used by ORIGEN to calculate the neutron intensities and spectra: (1) neutron decay data, (2) an alpha-particle stopping power, (3) a target \(\left( \alpha,n \right)\) cross section, and (4) a target \(\left( \alpha,n \right)\) product level branching. All of the neutron data are stored in a text format with names and descriptions given in Table 10.2.6. The neutron decay data contain basic decay information for decay processes that lead to direct and indirect emission of neutrons, including spontaneous fission branching fractions, alpha decay branching fractions, delayed neutron branching fractions, alpha-particle decay energies, Watt fission spectrum parameters, and delayed neutron spectra. The stopping cross sections, \(\left( \alpha,n \right)\) target cross sections, and product-level branching data are used in calculating the neutron yield and spectra from \(\left( \alpha,n \right)\) reactions.

The neutron data were obtained directly from the updated SOURCES-4B code package. The sources of the neutron data are described by Shores [Origen-Data-ResourcesSho00]. An update was made to correct an error in the 250Cf spontaneous fission neutron branching fraction in the neutron source decay data distributed with the SOURCES code. The 250Cf branching fraction was incorrectly assigned the value from 252Cf of \(3.092 \cdot 10^{-2}\). A corrected value of \(7.700 \cdot 10^{-4}\) from ENDF/B-VII.1 is used.

Table 10.2.6 Neutron source data libraries

File name

Description

ALPHDEC

Neutron source decay data

STCOEFF

Stopping cross section expansion coefficients

ALPHYLD

Target \(\left( \alpha,n \right)\) product level branching

ALPHAXS

Target \(\left( \alpha,n \right)\) cross section

The neutron source decay contains spontaneous fission data for the 49 actinides listed in Table 10.2.7. These data include the spontaneous fission branching fraction, the number of neutrons per fission (\(nu\)), and the watt spectrum parameters for spontaneous fission. The spontaneous fission neutron energy spectrum is approximated using spectral parameters A and B, such that

(10.2.4)\[N\left( E \right) \cong \text{C\ }e^{ - \frac{E}{A}}\sinh \sqrt{\text{BE}}\]

where E is the neutron energy and C is a normalization constant.

Table 10.2.7 Nuclides with spontaneous fission data and spectral parameters

230Th

239U

240Pu

244Am

250Cm

232Th

236Np

241Pu

244mAm

249Bk

231Pa

236mNp

242Pu

240Cm

248Cf

232U

237Np

243Pu

241Cm

250Cf

233U

238Np

244Pu

242Cm

252Cf

234U

239Np

240Am

243Cm

254Cf

235U

236Pu

241Am

244Cm

253Es

236U

237Pu

242Am

245Cm

254mEs

237U

238Pu

242mAm

246Cm

255Es

238U

239Pu

243Am

248Cm

Delayed neutron branching fractions and neutron spectra for 105 fission products are listed in Table 10.2.8. The delayed neutron spectra are tabulated in discrete 10 keV bins from 50 keV to about 2 MeV.

Table 10.2.8 Nuclides with delayed neutron emission spectral data

79Zn

89Br

97Y

128In

41I

79Ga

90Br

97mY

129In

42I

80Ga

91Br

98Y

129mIn

43I

81Ga

92Br

98mY

130In

141Xe

82Ga

93Br

99Y

131In

142Xe

83Ga

92Kr

100Y

132In

143Xe

83Ge

93Kr

104Zr

133Sn

144Xe

84Ge

94Kr

105Zr

134Sn

141Cs

85Ge

95Kr

103Nb

135Sn

142Cs

86Ge

92Rb

104Nb

134mSb

143Cs

84As

93Rb

105Nb

135Sb

144Cs

85As

94Rb

106Nb

136Sb

145Cs

86As

95Rb

109Mo

137Sb

146Cs

87As

96Rb

110Mo

136Te

147Cs

87Se

97Rb

109Tc

137Te

147Ba

88Se

98Rb

110Tc

138Te

148Ba

89Se

99Rb

122Ag

139Te

149Ba

90Se

97Sr

123Ag

137I

150Ba

91Se

98Sr

128Cd

138I

147La

87Br

99Sr

127In

139I

149La

88Br

100Sr

127mIn

140I

150La

Neutron yields from alpha-particle interaction are available for 19 \(\left( \alpha,n \right)\) target nuclides: 7Li, 9Be, 10B, 11B, 13C, 14N, 17O, 18O, 19F, 21Ne, 22Ne, 23Na, 25Mg, 26Mg, 27Al, 29Si, 30Si, 31P, and 37Cl. The neutron decay data contain discrete alpha-particle energies and branching fractions for 89 actinides and 7 fission products listed in Table 10.2.9. The sources of the level branching fraction data and the \(\left( \alpha,n \right)\) cross section data are listed in Table 10.2.10. The stopping cross sections and \(\left( \alpha,n \right)\) target cross section and product level branching libraries are used in calculating the neutron yield and spectra from Ziegler [Origen-Data-ResourcesZie77] for all elements with Z < 93, and from Wilson [Origen-Data-ResourcesWPS+83] for all elements geq 93.

Table 10.2.9 Nuclides with \(\alpha\)-particle emission data for neutron yield calculations

142Ce

216Po

226Ac

237Np

245Cm

144Nd

218Po

227Ac

235Pu

246Cm

146Sm

215At

226Th

236Pu

247Cm

147Sm

217At

227Th

237Pu

248Cm

148Sm

218At

228Th

238Pu

249Bk

149Sm

219At

229Th

239Pu

248Cf

152Gd

217Rn

230Th

240Pu

249Cf

210Pb

218Rn

232Th

241Pu

250Cf

210Bi

219Rn

230Pa

242Pu

251Cf

211Bi

220Rn

231Pa

244Pu

252Cf

212Bi

222Rn

230U

240Am

253Cf

213Bi

221Fr

231U

241Am

254Cf

214Bi

222Fr

232U

242mAm

253Es

210Po

223Fr

233U

243Am

254Es

211Po

222Ra

234U

240Cm

254mEs

212Po

223Ra

235U

241Cm

255Es

213Po

224Ra

236U

242Cm

254Fm

214Po

226Ra

238U

243Cm

255Fm

215Po

225Ac

235Np

244Cm

256Fm

 

 

 

 

257Fm

Table 10.2.10 Target \((\alpha,n)\) cross section and branching level isotopes and sources

Isotope

ZAID

Level branching fraction source data

Cross section data

7Li

30070

GNASH

Gibbons and Macklin [Origen-Data-ResourcesGM59]

9Be

40090

Geiger and Van der Zwain [Origen-Data-ResourcesGZ75]

Geiger and Van der Zwain [Origen-Data-ResourcesGZ75]

10B

50010

GNASH

Bair et al. [Origen-Data-ResourcesBC79]

11B

50110

GNASH

Bair et al. [Origen-Data-ResourcesBC79]

13C

60130

GNASHa

Bair and Haas [Origen-Data-ResourcesBH73]

14N

70140

N/A

GNASH

17O

80170

Lessor and Schenter [Origen-Data-ResourcesLS71]

Perry and Wilson [Origen-Data-ResourcesPW81]

18O

80180

Lesser and Schenter [Origen-Data-ResourcesLS71]

Perry and Wilson [Origen-Data-ResourcesPW81]

19F

90190

Lesser and Schenter [Origen-Data-ResourcesLS71]

Balakrishnan et al. [Origen-Data-ResourcesMBM78]

21Ne

100210

N/A

GNASH

22Ne

100220

N/A

GNASH

23Na

110230

GNASH

GNASHa

25Mg

120250

GNASH

GNASH

26Mg

120260

GNASH

GNASH

27Al

130270

GNASH

GNASHa

29Si

140290

GNASH

GNASHa

30Si

140300

GNASH

GNASHa

31P

150310

GNASH

GNASH

37Cl

170370

GNASH

Woosley et. al. [Origen-Data-ResourcesWFHZ75]

2

GNASH-calculated data and measured data are available for these nuclides in the library. By default, the GNASH values are used. To use the measured data, the user must reverse the order of th GNASH and measured data in the library since the code uses the first set encountered in the library (GNASH set).

10.2.8.3. Beta Emission

Beta emission rates and energy spectra are calculated using an analytic expression for the kinetic energy of the emitted \(\beta^-\) particles [Origen-Data-ResourcesGM71]:

(10.2.5)\[N\left( Z,W \right) = \frac{g^{2}}{{2\pi}^{3}} F\left( Z,W \right) \rho W \left( W_{0}- W \right)^{2}S_{n}\left( W \right) dW\]

where

\(Z =\) atomic number of the daugher nucleus

\(g =\) weak interaction coupling constant

\(W =\) kinetic energy of beta particle (in \(m_{e}c^{2}\) units)

\(F\left( Z,W \right) =\) Fermi function

\(W_{0} =\) endpoint beta energy

\(\rho = \sqrt{W^{2} - 1}\) = electron momentum

\(S_{n}\left( W \right) =\) spectral shape factor based on transition type

\(n =\) classification of the transition type

Internal conversion electron emission is not considered.

The calculation requires nuclear data on the fraction of the beta transition to each exicited state of the daughter nucleus, the maximum endpoint energy of the transition (W0), and a classification of the beta transition (n) defined by the spin and parity change of the transition which defines the spectral shape factor. The transition classification uses n=0 for allowed and forbidden non-unique transitions, n=1 for first forbidden unique transitions, n=2 for second forbidden unique transitions, and n=3 for third forbidden unique transitions. These data are not stored in the decay data resource but are included in a separate beta decay resource used only for the beta calculation.

The beta decay data are stored in the formatted file origen.rev00.ensdf95beta.data. The data are derived from ENSDF as compiled in 1995. The file includes beta decay information for 715 beta decay nuclides and has 8486 beta transition branches.

10.2.8.4. Alpha Emission

Calculation of the alpha emission intensity and spectrum requires detailed information that is not available on the decay resource. The calculation requires the alpha particle energy and branching fraction for each transition branch. Unlike the beta spectrum, the alpha particles are emitted with discrete energies, and the source spectrum may be generated by straightforward binning into the user-defined group structure. Alpha particle emission data are also used in the \(\left( \alpha,n \right)\) neutron source calculation. Therefore, the alpha emission spectra are calculated using the same alpha decay library in the neutron emission resource: origen.rev01.alphdec.data.

References

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