SCALE Newsletter

SCALE Newsletter [SCALE Logo]

Computing Applications Division
Nuclear Engineering Applications Section
Oak Ridge National Laboratory

Number 9 , September 1994

Click here for previous issues of the SCALE Newsletter

In This Issue ...

  • SCALE Training Course Scheduled
  • New ENDF/B-V Libraries Available
  • New Cross-Section Processing Features
  • KENO-VI to be Released This Fall
  • New KENO-V.a Sample Problems
  • Minor Errors Discovered in ORIGEN S Libraries
  • Improvements to KENO-V.a Include 2 D Color Plots
  • SCALE-4.2 Minor Modifications

    Words to the Wise

  • Checking Input for User Errors
  • Be Case Conscious on UNIX machines
  • ENDF/B-VI Isotopic Specifications Not Consistent with Standard Composition Library
  • Updated SCALE-4.2 Installation Instructions for Sun, DEC, and HP
  • SCALE Help As Close as Your E-mail
  • SCALE-4 Training Course Preregistration

  • ***************************************************************************

    SCALE Training Course Scheduled

    A training course for users of the SCALE code system will be held April 24-28, 1995, in Oak Ridge, Tennessee. The course is being sponsored by the DOE Transportation and Packaging Safety Division and will be hosted by the Radiation Shielding Information Center (RSIC) at ORNL. The course will be taught by staff of the ORNL Computing Applications Division who are responsible for the development and maintenance of the SCALE system. The instructors will review the capabilities and limitations of the system modules with emphasis on areas of interest/concern to experienced users of the system. Hands-on experience with practical problems will be provided attendees via special sessions that utilize the workstation and PC versions of the SCALE system maintained by ORNL. Input preparation for the criticality sequences and ORIGEN-S will be expedited by the automated PC input processors. Problems arising in design and review analyses for transport packages will be emphasized. Prior to the course, attendees may submit problems for discussion and/or solution.

    A tentative agenda is provided below. The number of attendees will be limited. A form is included on the last page of this Newsletter that can be returned to preregister for the course. Your responses on this form will be used to help formulate the final agenda and course structure.

    Tentative Course Agenda

    Registration
    Opening Remarks
    System Overview (Background, current status)
    System Installation/Implementation Issues

    Cross Section and Material Processing
    Workshop I: CSASN, CSASIX, NITAWL-II
    Discussion of Workshop I

    Criticality Safety Sequences
    Workshop II: CSAS1X, CSAS25, CSAS4, KENO V.a
    Discussion of Workshop II

    Depletion/Decay Capabilities
    Workshop III: SAS2H, ORIGEN-S
    Discussion of Workshop III

    Shielding Analysis Capabilities
    Workshop IV: SAS1, SAS4, XSDRNPM, MORSE-SGC
    Discussion of Workshop IV

    Heat Transfer Capabilities
    Workshop V: HTAS1, HEATING
    Discussion of Workshop V

    Closing Session: Questions and Answers

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    New ENDF/B-V Libraries Available

    The SCALE staff has completed development, testing, and validation efforts for 238GROUPNDF5, a 238-group, AMPX master format neutron cross-section library that contains data for all the nuclides available in ENDF/B-V (DRR-94-004). The library has Bondarenko shielding factors included for nuclides with unresolved resonances, nuclides with Adler-Adler resonance data (U-233 and Pu-241), and the nonresonance nuclides Li-7, F-19, Al-27, and Si-14. Bondarenko factors are used for the latter nuclides because they exhibit resonance structure in the point data. The initial development of this library included only s-wave resonance data in the resonance parameters that are passed to the Nordheim treatment in NITAWL. Although demonstrated sufficient for thermal systems, it was found that p-wave and perhaps d-wave resonances can have a significant effect on the results for shielding applications and for unmoderated, intermediate energy problems. Thus, p-wave and d-wave data were added to the library. Users, however, will not be able to readily access the p- and d-wave resonance data until SCALE-4.3 has been made available to RSIC in 1995.

    Several spectra suitable for collapsing this fine-group library to a broad-group structure are included as part of the library. A 44-group derivative of the 238-group library, 44GROUPNDF5 (DRR 94-005), collapsed using a spectrum for a pressurized-water-reactor fuel pin, will also be included in the RSIC data package. This broad-group library has a similar group structure as that provided in the SCALE 27-group ENDF/B-IV library, except that additional groups were added to ensure more accurate treatment of the 0.3 eV resonance of Pu-239. Based on an analysis of a set of 93 thermal and fast critical experiments, the ENDF/B-V 44-group library has demonstrated markedly improved performance over similar analyses performed with the ENDF/B-IV 27-group library ( Validation of SCALE-4 Criticality Sequences Using ENDF/B-V Data, Proceedings of the Topical Meeting on Physics and Methods in Criticality Safety, Sept. 19 - 23, 1993). In addition, by comparing SAS2H/ORIGEN-S results with measured isotopic data, the library has demonstrated improved results in the prediction of spent fuel isotopics (Validation of the SCALE System for PWR Spent Fuel Isotopic Composition Analyses, ORNL/TM-12667, available December 1994).

    The 238-group and 44-group libraries were originally discussed in Issue No. 7, August 1993. Testing and validation of the libraries were sponsored by the U.S. Nuclear Regulatory Commission (NRC) Office of Regulatory Research. The libraries will be released by RSIC as a data package that is separate from, but completely compatible with, the SCALE code package. Users of SCALE-4.0 or later can access the libraries by placing the desired library file on I/O unit 70 and specifying 44GROUP or 238GROUP in the CSAS input. The validation and testing documentation performed at ORNL will be provided with the data package released by RSIC. Contrary to the previous Newsletter article, these libraries will be available to foreign as well as U.S. facilities.

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    New Cross-Section Processing Features

    The cross-section processing portion of the SCALE system has recently been upgraded to add some new features and enhancements. The major improvements involve the NITAWL-II code (MRR 94-008). NITAWL-II has been modified to perform the resonance calculation in double precision. The mesh generation for a resonance has been modified to better span higher energy resonances and to reduce excessive numbers of mesh points.

    In addition, this new version of NITAWL-II is able to interpolate the available thermal-scattering matrices to obtain data for the temperature requested by user input (via direct input to NITAWL-II or via the SCALE Standard Composition data). Previously, NITAWL-II had no such capability and selected the thermal- scattering data that was closest to the requested temperature. This limitation and some implications from it were discussed in Thermal-Scattering Data Limitation (Issue No. 3, July 1991). Thermal- scattering data for moderator materials, such as hydrogen and graphite, are available at many more temperatures in the new ENDF/B-V SCALE libraries than in the older ENDF/B-IV SCALE libraries. However, even with the new ENDF/B-V libraries, the interpolation should better determine the effect that a change in moderator temperature will have on the system multiplication factor.

    The CSAS and SAS1 - SAS4 modules also have been modified via MIPLIB to provide two new parameters in the optional MORE DATA input (MRR 94-007):

    MLV: maximum L value for which resonance calculation will be done (L = 0 is s-wave, L = 1 includes p-wave, L = 2 includes d-wave). The default value is L = 2.

    MSH: maximum number of mesh points per resonance. The default value is 2001.

    Note that if NITAWL-II is run stand-alone, the default values for MLV and MSH are 0 and 501, respectively.

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    KENO-VI to be Released This Fall

    KENO-VI is a new version of the KENO Monte Carlo Criticality Safety Code developed at Oak Ridge National Laboratory. It constructs and processes geometry data as sets of quadratic equations. A lengthy set of simple, easy-to-use geometric functions, similar to those provided in KENO-V.a, and the ability to build more complex geometric shapes (represented by sets of quadratic equations) are the heart of the geometry package in KENO-VI. The code's flexibility is increased by allowing the following features: intersecting geometry regions; hexagonal as well as cuboidal arrays; regions, holes, arrays, and units rotated to any angle and truncated to any position; and the use of an array boundary that intersects the array.

    KENO-VI maintains all the flexibility and options of KENO-V.a plus a variety of new options. In KENO-VI, units can be constructed using both the simple geometric shapes provided and the tailored geometric shapes constructed using quadratic equations. KENO-VI should be available through RSIC some time during the fall of 1994. It will include the new 2-D color plotting capability that has been added to KENO-V.a (see Improvements to KENO-V.a Include 2-D Color Plot Capability ). At this time KENO-VI will only be able to run as a stand-alone module. Eventually KENO-VI will be included as part of the SCALE Criticality Safety Analysis Sequence.

    Users should be aware that the added geometry features in KENO-VI can result in significantly longer run times than KENO-V.a. A KENO-VI problem that can also be modelled with KENO-V.a will typically run twice as long as the same problem using KENO-V.a. Thus, the new version VI should not be viewed as a replacement for the existing version V.a, but as an additional version for complex geometries that could not be modeled previously.

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    New KENO-V.a Sample Problems

    The KENO-V.a sample problems have been updated to improve the range of functionality testing and provide more flexibility in using other cross-section libraries (DRR 94-002). The SCALE-4.2 sample problems used the 27-group ENDF/B-IV cross-section library. The cross sections were processed by NITAWL-II prior to the execution of KENO-V.a. The new sample problems use BONAMI, which is not necessary for the 27-group library, as well as NITAWL-II for resonance processing of cross sections so that the sample problems can easily be run with other cross-section libraries that require the use of BONAMI. The NITAWL-II input data were updated to specify 2001 mesh points per resonance and the highest resonance L-value of 2. The previous input data used the default values of 501 mesh points and an L-value of 0.

    Eight new problems were added to the existing 25 sample problems. Sample problems 26 through 28 are variations of sample problem 1, modeled as hemicylinders with chords and origins, and are extensions of sample problems 23 through 25, which are modeled using chords without origins. Sample problem 29 is a bare critical sphere, and sample problems 30 through 32 are the same critical system modeled using hemispheres with origins. Sample problem 33 is a critical triangular pitched array of partially flooded cylindrical annuli of low-enriched-uranium metal.

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    Minor Errors Discovered in ORIGEN-S Libraries

    The last revision of the ORIGEN-S libraries released in SCALE-4.2 resulted in the removal of Y-93m (nuclide ID 390931) from the fission product library. The absence of Y-93m should have no noticeable impact on reactor calculations, since it was short-lived (0.82 s) and decayed solely by isomeric transition with a 0.758 MeV gamma to Y-93, which remains in the library.

    The card-image decay library file END6DEC in SCALE-4.2 contains erroneous data for the half-life (HALFL), recoverable energy (Q), and fraction of recoverable energy from gammas (FG) for Br-86m (nuclide ID 350861). The erroneous values were inadvertently introduced during the last decay data update, but produce only a negligible effect for reactor problems. This error will be corrected in the next SCALE release. The current (i.e., erroneous) and the correct values are:

    Parameter Current Correct HALFL (sec) 5.500e+01 4.500e+00 Q (MeV) 5.200e+00 4.752e+00 FG 6.212e-01 3.506e-01 ***************************************************************************

    ******************************************** *** What's an MRR (or DRR)? The *** *** MRR (or DRR) number refers to the *** *** Module (or Dataset) Revision Report *** *** that documents the change(s) made *** *** under the SCALE Configuration *** *** Management Plan. It is provided to *** *** assist readers who contact the SCALE *** *** staff concerning any of the changes *** *** discussed in the newsletter. *** ********************************************

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    Improvements to KENO-V.a Include 2 D Color Plots

    Some significant enhancements have been made recently in KENO-V.a (MRR 94-009). The most noteworthy is the capability to produce high-resolution 2-D color plots that can be viewed from an X-Windows monitor or printed on a color printer. This new option is activated by using the parameter scr=yes in the KENO V.a plot data. A GIF plot file using up to 256 colors is generated. The plot data parameter "clr=" can be used to override the default color assignments. Note that these plots can only be generated on UNIX workstation versions. A 2-D color copy of a sample plot is shown here to illustrate the high-resolution capability. Note that each individual fuel rod and water hole can be clearly seen in these light-water-reactor fuel assemblies loaded in a cask.

    [SCALE Plot]

    In addition to the 2-D color plots, some of the other enhancements made to KENO-V.a include: (1) Fractional values are now valid for the lpi= parameter in the plot data to make it easier to print round circles on laser printers. (2) The system total fissions and absorptions by region can be calculated, and a parameter to suppress printing fissions and absorptions by region for each group has been added. Set gas=yes to print only the system totals by group. (3) MT 1452 is used in calculating nu*Sigma-t only if MT 18 and 452 do not exist. (4) The mixing table edit has been changed to print mixture density, nuclide, number density, weight fraction, ZA number, atomic weight and nuclide title; sorted first by mixture, then by ZA. (5) The total mass of each mixture in the problem can be calculated and printed.

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    SCALE-4.2 Minor Modifications

    The following minor corrections and updates have been made to the local ORNL version of SCALE-4.2. These changes will be included in the next RSIC release of SCALE.

    HEATING7.2: A coding flaw was found and corrected in HEATING that prevented the proper application of the unit system conversion factors for the material properties database. This option allows the user to select a material from the database and convert the property values to the user's unit system. Due to the flaw, the material property values were not converted and values were used in the calculations that were not correct for the unit system. This flaw would effect only HEATING or HTAS1 problems that specify unit conversion factors for the material properties database (MRR 94-005).

    HTAS1: A coding flaw was found and corrected in HTAS1 that prevented the building and the use of enclosure radiation connectors for models that replace the material in the neutron shield with a void (no material). A normal (and the default) analysis would replace the material in the neutron shield with air. Any other material or a void can be placed in the neutron shield volume. As long as any type of material (not a void) is in the neutron shield then the thermal radiation connectors are built in OCULAR and the analysis procedures correctly. However, if a void volume is modeled in HTAS1 then the flaw prevented the building and use of the connectors. Thus, no heat would be transferred across the neutron shield, which could significantly and potentially nonconservatively alter the thermal history of the shipping cask (MRR 94-012).

    All Cross-Section Libraries: The atomic masses of nuclides were modified to all be in terms of neutron mass for consistency (DRR 94-006).

    KENO-V.a: (1) Corrected error that sometimes occurred when the boundary of a HOLE touched another HOLE or adjacent geometry region. The error can produce erroneous results, either conservative or nonconservative, without triggering warning or error messages. The effect on keff can be very significant in some cases (~ 1%). SCALE users were notified about this problem in the article Don t Let Your Holes Touch in KENO-V.a Geometry (Issue No. 7 of the SCALE Newsletter, August 1993). (MRR 94-003). (2) Fixed to allow more than 13 scattering angles. Although the parameter sct= was limited to 13, no check was made to avoid overstoring data. (3) Corrected error causing core dump on some workstations when a global unit wasn't explicitly defined (MRR 94-009).

    NITAWL: Corrected the grayness correction to self-shielding in annular regions (MRR 94-008).

    MIPLIB: (1) Added checks to avoid the use of negative number densities when solutions with physically unrealistic parameters are entered. (2) Corrected an error that caused CSAS to loop if the collapse option was specified and an input nuclide ID was not found in the cross-section library (MRR 94-007).

    Standard Composition Library: (1) Revised the resonance energy scattering and/or total cross sections for 197 materials based on the 44-group ENDF/B-V cross-section library. Consistent values were specified for both the natural element and individual isotopes B, Zr, Eu, Hf, and W. (2) Turned off resonance processing flags for NISS, NIINCONEL, NI-ESIGT, CRSS, CRINCONEL, CR-ESIGT, MNSS, FESS, FEINCONEL, and FE-ESIGT. These flags only affect ENDF/B-V cross-section libraries (DRR 94-007). (3) Added new composition ZIRC2 for Zircaloy-2 when using ENDF/B-V cross-section libraries (DRR 94-001).

    XSDRNPM/SAS4: Adjoint calculation in XSDRNPM for SAS4 was corrected. Only affects fixed-source calculations with upscatter on machines whose single and double precision formats are different (includes IBM workstations). Any such calculations should be re-run to determine impact of correction (MRR 94-014).

    BONAMI: (1) Restored Bondarenko factor printout that was inadvertently deleted in July 1990 modification. Results were not impacted (MRR 94-006). (2) Corrected so that calculations with more than one nuclide specified with a zero number density will run (MRR 94-004).

    SAS1: Corrected setting of termination flag so that SCALE driver can run other modules when cases are stacked in an input file (MRR 94-001).

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    Words to the Wise...

    Checking Input for User Errors

    Concerns have been raised because of user input errors found during an independent review of criticality safety calculations performed by a management and operating (M&O) contractor for the Department of Energy (DOE) using SCALE-4. The specific error was related to the use of the standard solution (SOLN) compositions in the Material Information Processor (MIP) input. The capabilities provided in the MIP input include the standard basic compositions, solution compositions, and arbitrary materials. Preparing and checking the input can be confusing since each of these composition types uses some different input parameters (refer to Table C4.4.9 in the SCALE Manual). Because the format of the data changes from line to line when using these different composition types, it is sometimes difficult for users or peer reviewers to check the input. If the user is careful to format the input listings and supporting material as consistently as possible, the ease and accuracy of input checking can be increased. An alternative approach to improving input accuracy is to use the automated PC input processor OFFSCALE, which provides menus, help messages, and data checking while preparing input for the CSAS criticality analytical sequences. Note that OFFSCALE can also be used to perform MIP input preparation for any of the SAS1 - SAS4 shielding analysis sequences as well.

    Be Case Conscious on UNIX machines

    Another concern has been raised elsewhere regarding the lack of error trapping for incorrect input in the FIDO free-format input routines used in many of the SCALE functional modules. FIDO uses a number of alphabetical characters as control characters in parsing input. Use of any undefined character may produce a fatal error (typically an incorrect number of data entries) or may simply produce incorrect results with no error messages. This potential problem is particularly troublesome on UNIX machines where the input is case-sensitive, and an R is not recognized as an r , for example. Users are encouraged to be case conscious when preparing input. For old input files, use the uptolow script distributed in SCALE-4.2 to convert any upper-case letters to lower case in an input file.

    ENDF/B-VI Isotopic Specifications Not Consistent with Standard Composition Library

    Although there are no ENDF/B-VI libraries available for SCALE-4.2, users who generate their own libraries should be aware that some of the isotopic identifiers in ENDF/B-VI data are not consistent with the SCALE Standard Composition Library. In particular, the cross sections for the natural element identifiers such as FE for iron are no longer available in the ENDF/B VI data. To circumvent this problem requires either modifications to the SCALE MIP input (changing the input from natural elements to isotopes) or to the Standard Composition Library itself (defining the isotopic composition of the natural elements). Plans call for updating the Standard Composition Library for consistency with ENDF/B-VI data prior to the next RSIC release of SCALE.

    Updated SCALE-4.2 Installation Instructions for Sun, DEC, and HP

    RSIC has prepared an updated README file for the installation of SCALE-4.2. The updated instructions have some information that is applicable to all users, but the primary purpose of this update is to provide additional help to SUN, DEC, and HP workstation users. SCALE-4.2 was initially installed and tested on an IBM RS/6000 AIX workstation. Since that time, the SCALE staff has gained additional experience installing and testing on SUN and DEC workstations. The notes on HP workstations are based on feedback from HP users who have contacted RSIC. To obtain a copy of the new README file, call RSIC at (615) 574-6176 or send E-mail to pdc@ornl.gov.

    SCALE Help As Close as Your E-mail

    An E-mail address on the Internet is now available for SCALE users to obtain help from the SCALE staff at ORNL. If you have questions or suggestions regarding SCALE, send them to scalehelp@ornl.gov. If you have questions or requests related to software distribution, contact RSIC at pdc@ornl.gov.

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    SCALE-4 Training Course Preregistration: April 24-28, 1995

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    SCALE Newsletter is published twice a year by Oak Ridge National Laboratory and sponsored by the Storage and Transport Systems Branch of the U.S. Nuclear Regulatory Commission and by the Transportation and Packaging Safety Division and the Office of Civilian and Radioactive Waste Management of the U.S. Department of Energy.

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    Last Modified Thu Feb 13 15:31:34 EST 1997