SCALE Newsletter

SCALE Newsletter [SCALE Logo]

Computational Physics and Engineering Division
Nuclear Engineering Applications Section
Oak Ridge National Laboratory

Number 15, January 1997

Click here for previous issues of the SCALE Newsletter

In This Issue ...

  • SCALE Training Course Schedule for 1997
  • New SCALE Utility Programs
  • New KENO Weights Library
  • Download Updates from SCALE Web Page
  • Final SCALE-4.3 Manual Released
  • KENO Default Number of Histories Increased
  • SCALE-4.3 Minor Modifications

  • Words to the Wise...
  • Dancoff Factor Discrepancy for Moderator in Fuel Rod Gap
  • SCALE-PC Runs in Windows NT 4.0
  • How to Make and Install Part of the Workstation Version of SCALE
  • Reflecting Hexprisms in KENO-VI
  • ORIGEN-S Integral Option
  • SAS1X Criticality / Shielding Dose Calculations with Cylindrical or Slab Geometry
  • Path Length Stretching in MORSE-SGC Is Incorrect with Array Geometry

  • SCALE V&V Package
  • SCALE KENO-VI Course Agenda
  • SCALE KENO-VI Course Registration Form
  • Hotel Registration Form

  • SCALE Training Course Schedule for 1997

    The SCALE staff at ORNL will be offering several training courses in 1997. The courses emphasize hands-on experience solving practical problems on PCs in workgroups of three persons each. No prior experience in the use of SCALE is required to attend these courses. All courses are conducted at Oak Ridge National Laboratory (ORNL) in Oak Ridge, Tennessee. The registration fee for each course is $1,200. A combined registration fee of $2,000 is available for the two fall courses, which are offered on consecutive weeks. Registrations will be accepted on a first-come basis. Registration forms may be submitted via FAX or e-mail to reserve your place.

    The agenda and registration form for the SCALE KENO-VI Training Course are included in this Newsletter.

    Date Title Description
    May 19 - 22 SCALE KENO-VI Course In-depth introduction to CSAS6/KENO-VI criticality safety code for complex geometries
    Oct. 14 - 17 SCALE KENO V.a Course In-depth introduction to CSAS/KENO V.a

    (May be combined with the SCALE Shielding & Source Terms Course)

    Oct. 20 - 23 SCALE Shielding & Source Terms Course In-depth introduction to SCALE shielding and depletion/decay sequences (including ORIGEN-ARP)


    Classes are limited to 24 participants and are subject to cancellation if minimum enrollment is not obtained. Course fees are refundable up to one month before each class.

    For further information, contact Steve Bowman, scalehelp@ornl.gov , 423-574-5263.


    New SCALE Utility Programs

    Several new utility programs have been developed for SCALE. A new utility LEGEND has been created that adds a title and legend to the color GIF files generated by KENO V.a or KENO-VI. LEGEND was released last summer with the updated version of KENO-VI (see the June 1996 issue of the Newsletter). The versions of KENO V.a and PICTURE in the next release of SCALE will use LEGEND as well.

    K5TOK6 and C5TOC6 are new utilities that convert KENO V.a and CSAS input files to KENO-VI and CSAS6 input files by translating the KENO V.a geometry input to KENO-VI format. Since the converted input files are based on the KENO V.a geometry input, they are generally not the most effective in terms of the KENO-VI geometry features. They do provide the user with a working KENO-VI input file that can be modified for improvements.

    Another new utility is Q0RDPN. It converts a binary input file generated by a CSAS or SAS control sequence for one of the functional modules that use FIDO input such as BONAMI, NITAWL-II, ICE, and XSDRNPM, to an ASCII input file. The user can easily edit the ASCII input file to run a modified version of a problem. This capability allows the user to specify input parameters that are not available in the standard control sequences.

    The K5TOK6, C5TOC6, and Q0RDPN utilities will be available to download from the SCALE Web page by April 4.


    New KENO Weights Library

    The biasing weights library has been updated using the new modules GWAS and GENWGTS. The library contains weights for paraffin, water, concrete, and graphite in 16, 27, 44, 218, and 238 energy groups. Results for 16 and 27 group libraries will be different but should agree within statistical uncertainty. The new weights library will be available to download from the SCALE Web page by April 4.

    Because of the need to automatically generate a set of weights for use in KENO for arbitrary group structure and material, a new control module (GWAS) and a new functional module (GENWGTS) have been added. GWAS sets up an adjoint XSDRNPM case and generates weights automatically from the fluxes. GENWGTS is called by GWAS to read the adjoint fluxes, automatically generate the KENO weighting function from them, and write an output file for use by program WGT. These modules will be included in the next release of SCALE.


    Download Updates from SCALE Web Page

    A
    Download pointer has been added to the World Wide Web (WWW) home page for SCALE. Several of the updates mentioned in this issue will be made available by April 4, including the following.

  • C5TOC6, K5TOK6, and Q0RDPN utilities

  • New SCALE-PC files for Windows NT 4.0

  • New KENO Weights Library

  • SCALE V&V input files and utility programs (see "SCALE V&V Package" on page 6)
  • Another addition to the SCALE Web pages will be "Instructions on How to Make and Install Part of the Workstation Version of SCALE." This article will be included on the More Info page.


    Final SCALE-4.3 Manual Released

    The final version of the SCALE-4.3 user manual has been completed and sent to the Nuclear Regulatory Commission (NRC) for publication. Our staff is preparing to convert the final manual into PDF format. When completed later this year, the SCALE manual sections on the SCALE Web page will be updated, and the new manual will be included on the SCALE CDs and tapes distributed by the Radiation Safety Information Computational Center (RSICC). The new manual contains all tables and figures in electronic format.

    The PDF format allows the user to view the documents using Adobe Acrobat Reader, a free program, in a high-quality format that is nearly identical to the printed manual. In addition, Acrobat Reader has the capability to search the manual and to print selected pages.


    KENO Default Number of Histories Increased

    The default values of the KENO V.a and KENO-VI input parameters that control the number of neutron histories and run-time for each problem have been changed. For a number of years, the ORNL and NRC staffs have recognized that the default values of these parameters were insufficient for most problems. The new values have been increased to 203 generations, 1000 neutrons per generation, and 120 minutes. These values provide a reasonable minimum sampling for producing accurate results and are consistent with modern computing capabilities.


    SCALE-4.3 Minor Modifications

    The following minor corrections and updates have been made to the local ORNL version of SCALE-4.3. These changes will be included in the next RSICC release of SCALE.

    KENO V.a: KENO V.a has been updated to correct an error in the keff calculation that caused a doubling of keff when using an ICE mixed AMPX format working library. This error was introduced in SCALE-4.3. This discrepancy has been reported in a previous issue of the SCALE Newsletter. If your work requires the use of ICE and KENO V.a, please contact the SCALE staff for the correction. (MRR 95-073)

    MIPLIB: (1) Updated to allow moderator mixture in a lattice cell to be used in the gap and to add the ability to specify the inner radius to the resonance data. (2) Updated to allow a control program to suppress certain output by setting flags. Added input options to MORE DATA to allow specifying an XSDRNPM adjoint solution, a criticality search in XSDRNPM using the zone width search option, a unit number for the balance table file, and suppressing the cross section weighting. (MRRs 96-035 and 96-049)

    KENO-VI: (1) The code was updated to correct a problem that could cause cases containing arrays with complex boundaries to incorrectly calculate keff. (2) Corrected a discrepancy that caused the code to go into an infinite loop when boundaries consisted of a body with multiple sets of paired planes. (3) Corrected an error that prevented a restart problem from producing a readable file if it stored data in the generation before the code entered the infinite loop. (4) Corrected a problem involving nested arrays and hexprisms that sometimes caused the code to go into an infinite loop if a collision occurred very near a boundary. (5) Corrected a problem that occurred when a particle crossed a boundary and immediately had a collision that reversed its direction without traveling any distance. The particle sometimes got lost and entered an infinite loop. (6) Subroutine TRACK was modified to correct a problem that occurred when an array shared a boundary with a hole that contained the array. If the distance to cross out of the array is less than EPS, the particle now exits the array instead of crossing from one unit to another within the array. (MRRs 96-033, 96-034, 96-040 and 96-046, 96-051)

    Standard Composition Library: Mass of copper was corrected (it was in atomic mass units instead of C-12 mass units). Density of c-graphite was changed from 1.0 to 2.3 g/cc. The following compositions were added: graphite, kerosene, kero(h2o), norpar13, norpar(h2o), polyvinylcl, pvc, pvc(h2o), tbp, tbp(h2o). (DRR 96-006)

    XSDRNPM: Updated to correct the value of productions/absorptions when a direct buckling search is done. (MRR 96-045)

    KENO V.a: Updated to allow printing the frequency distributions for 1-group problems.(MRR 96-039)

    MORSE Sample Problem 8: The 10** array was modified by adding a 22r0.0 at the end.(DRR 95-020)

    H7TECPLOT and H7MONITOR: Outdated comment lines in the BLOCK DATA subroutine that are used to activate or deactivate computer-system-dependent blocks of code resulted in memory not being allocated for variably-dimensioned arrays. An additional correction was made in H7TECPLOT, where the x and y axes were reversed when a translation was done from spherical to Cartesian coordinates. (MRR 96-053)

    SUBLIB: Subroutine DREAD was modified to correctly process data following the second digit of an exponent when called by the array reading subroutine YREAD. Previously, exponents of 10 or greater sometimes caused errors in the reading of FIDO-type input arrays. This discrepancy was discovered in an ORIGEN-S case. (MRR 96-060)

    MODIFY and CSAS: CSAS was updated to add additional required data to the direct access file written for a search problem. MODIFY was updated to read this file. A check for valid parameter constraints and the printing of an error message if they are invalid were also added. (MRR 96-057, MRR 96-059)

    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 these changes


    Words to the Wise...

    Dancoff Factor Discrepancy for Moderator in Fuel Rod Gap

    A correction was recently made to MIPLIB to allow the use of moderator in the gap region of a CSAS lattice cell calculation. This correction addresses a discrepancy that has existed in SCALE since at least SCALE-3 (released in 1984), and has probably always been present in SCALE.

    This discrepancy potentially could impact previous analyses where the fuel rod gap was assumed to be flooded with water. The discrepancy occurs in the calculation of the Dancoff factor, which is the probability that a neutron emitted from the surface of one fuel rod will pass through the gap, clad, and moderator and into another fuel rod. The significance of the discrepancy depends upon whether the mixture number of the material in the gap region is identical to the mixture number in the moderator region. If the mixture numbers are different for the gap and moderator regions, the impact on the calculated keff value is conservative and typically very small for a thin gap region (e.g., < 0.1% for a typical light water reactor fuel rod cell). In this case, the moderating medium in the gap is ignored in the Dancoff calculation, and the probability of a neutron passing from one rod to another is overestimated, resulting in a conservative value of keff. The error will increase with increasing gap region thickness.

    If the same mixture numbers were used to define the materials in both the gap and moderator regions, the impact on the calculated keff value is non-conservative and can be much more significant. In this case, the density of the moderating medium (e.g., water) is accounted for twice in the calculation of the total cross section of the moderator, which is used in the Dancoff factor calculation. The error effectively doubles the amount of moderator that the neutron must pass through between fuel rods, thus reducing the probability of a neutron passing from one rod to another. The smaller Dancoff factor results in a non-conservative calculated keff value. For example, for a typical light water reactor fuel rod cell in a one-dimensional XSDRNPM model, the result was approximately 1% low. For the same fuel in a three-dimensional KENO V.a conceptual cask model, the result was approximately 0.7% low.

    The impact of this discrepancy in previous calculations should only be a concern if the user modeled the gap and moderator regions with identical mixture numbers.


    SCALE-PC Runs in Windows NT 4.0

    The current version of SCALE-PC has been tested in Windows NT 4.0. All sample problems ran successfully.

    New freeware versions of the conversion routines that generate the color GIF files are available for Windows NT. To generate GIF files using these routines requires changing one line in SCALE95.BAT

    from

    if exist _plt*.bat for %%f in (_plt*.bat) do call fixplt95 %%f

    to

    if exist _plt*.bat for %%f in (_plt*.bat) do call %%f

    The updated conversion routines and BAT files will be posted on the SCALE and RSICC Web sites for SCALE users to download.

    Further development of SCALE-PC is underway. We plan to release a new version optimized for Windows 95 / Windows NT Pentium and Pentium Pro PCs by the end of this year.


    How to Make and Install Part of the Workstation Version of SCALE

    If a user wants to only build a subset of SCALE on a UNIX workstation initially, the user can specify SUBDIRS on each "make" command. For example, to build only the codes and data required for the CSAS criticality safety sequences, the following make commands will compile and install the codes, create the data libraries, and run the sample problems.
    make SUBDIRS="sublib unixlib miplib \
    driver bonami nitawl xsdrn ice kenova csas modify mal wgt"
    
    make SUBDIRS="sublib unixlib miplib driver \
    bonami nitawl xsdrn ice kenova csas modify mal wgt" install
    
    make data (This will make the standard composition and cross section
    libraries, then fail at the origen libraries)
    
    make SMPL="bonami nitawl xsdrn ice kenova csas" smplprbs
    

    More detailed information on this topic is available on the SCALE Web page More Info


    Reflecting Hexprisms in KENO-VI

    Many KENO-VI users would find it useful to be able to reflect a hexprism on six sides and place a void or vacuum boundary condition on the top and bottom. Currently in KENO-VI the same type of albedo boundary condition must be on all outer surfaces of the global region if the outer surface is not a cuboid. However, a void or vacuum boundary condition can be simulated by placing an infinite absorber material (a.k.a. "black" absorber) on a surface. By adding a region of black absorber on the top and bottom of the hexprism and reflecting all sides, a user can simulate a hexprism that is reflected on the sides with vacuum boundary conditions on the top and bottom. A black absorber material can be made using the SCALE standard composition "1/vabsorber" with a very large density multiplier (e.g., 1E10). Below is an example of a hexprism reflected on the sides only.

    =csas6
    black absorber example
    44groupndf5 infhommedium
    uranium      1          end
    1/vabsorber  2  1.0e10  end
    end comp
    read geom
    global unit 1
    hexprism   10  11.0  10.0  -10.0
    hexprism   20  11.0  11.0  -11.0
    media   1   1   10
    media   2   1   20   -10
    boundary  20
    end geom
    read bounds   all=mirror   end bounds
    end data 
    end


    ORIGEN-S Integral Option

    The ORIGEN-S integral option input has changed between versions 4.2 and 4.3 of SCALE. In 4.3, the variable NVERT, 32nd variable in 3$$, can only have values of 0, ±1, ±2. The + or - has same effect as before. The value 1 applies to the actinide library and the value 2 to the fission product library. The I/O unit to read from or write to is specified by NVERTR or NVERTW, respectively (the 6th and 7th variables in the 0$$ array). In 4.2, the integral option was only available for the fission product library. In that version, the absolute value of NVERT specified the I/O unit number that is now specified by NVERTW. The input description in the SCALE-4.3 draft manual was not clear on this item. It has been clarified in the final manual that has been submitted to the NRC for publication.


    SAS1X Criticality / Shielding Dose Calculations with Cylindrical or Slab Geometry

    The SAS1X combined criticality and shielding calculation option allows the user to take the leakage spectrum from an XSDRNPM one-dimensional (1-D) criticality calculation and use it as a boundary source in subsequent 1-D shielding calculations. This option can be valuable in assessing the effectiveness of criticality accident alarms at various locations.

    This option is discussed in Sect. S1.2.3 in the SCALE manual. The equations given there explain how to calculate a dose in rem from the dose rate printed in the SAS1X output and the total fissions. These equations are based on a unit volume. In the case of spherical geometry, the volume of the source is known; the equation yields a dose in rem. However, if a cylindrical or slab geometry is used, one or more of the source dimensions is unknown; the unit volume is per cm height of a cylinder or per sq cm of a slab. In these cases, the total fissions in the equation must be per unit of height or area, respectively, to obtain a dose in rem.


    Path Length Stretching in MORSE-SGC Is Incorrect with Array Geometry

    When choosing path length stretching in MORSE-SGC (i.e., NPAST>0) and using the NDSG=17 option, FUNCTION DIREC calculates an incorrect value of DIREC if the problem geometry contains arrays. The NDSG=17 option stretches the path in the direction of the first point detector. The DIREC routine does not account for the difference in "global" and "local" coordinates but mixes the two. The routine is being corrected. Although there may be very few problems which fit the category described, results of such problems probably will be incorrect. Users who have run problems of this nature should obtain the correction and rerun their problems.


    SCALE V&V Package

    Two SCALE Verification and Validation (V&V) reports have been published recently by the NRC, NUREG/CR-6483 and 6484. The first report is a guide to V&V of the SCALE criticality safety software, and the second is a similar guide for the radiation shielding software in SCALE. Although many validation reports regarding portions of SCALE have been published in the past (particularly for KENO V.a), these are the first comprehensive V&V reports for SCALE. All calculations reported were performed with SCALE-4.2. A third validation report, "Criticality Benchmark Guide Light-Water-Reactor Fuel in Transportation and Storage Packages," NUREG/CR-6361, is in publication. This report includes 173 criticality benchmarks for LWR type fuel. The results reported were obtained with SCALE-4.3. In addition to these reports, two ORNL reports, ORNL/TM-12667 and 13317, document the validation of the SCALE SAS2H sequence for pressurized water reactor (PWR) spent fuel isotopic composition analyses.

    A SCALE V&V package is being prepared for release through RSICC. To make the package as comprehensive as possible, it will contain the input files for the V&V cases from the above reports; the cases from the HEATING verification report, K/CSD/TM-61, originally produced for HEATING6; the Fortran utility codes listed in the appendices of the reports; and the updated output files for all cases from SCALE-4.3. Copies of the reports cited above also will be included in the package.

    The input files, the Fortran utilities, and the updated summary tables of results from some of the reports will be available to download from the SCALE Web page by April 4.


    SCALE KENO-VI Training Course Agenda

    Monday, May 19

    CSAS6 Input Data - SCALE/CSAS/MIP
    Unit Cell Types and More Data
    Standard Compositions, Arbitrary Materials
    KENO-VI Data blocks and Parameters
    Simple KENO-VI Geometry
    Problem Session I

    Tuesday, May 20
    Review of Problem Session I
    Resonance Self-Shielding
    Plots
    Arrays
    Chords and Origins
    Rotations
    Problem Session II

    Wednesday, May 21
    Review of Problem Session II
    Holes
    Start Data, Bias Data, Boundary Data
    Mixing Table
    Cell Weighting
    Problem Session 3

    Thursday, May 22

    Review of Problem Session III
    KENO-VI Output
    Monte Carlo Uncertainties
    Validation Issues
    Problem Session IV - Bring your own problems


    SCALE KENO-VI Training Course Registration Form

    Oak Ridge National Laboratory, Oak Ridge, Tennessee
    May 19-22, 1997

    Name ___________________________________________________________ Citizenship ___________________________________________________________ Organization ___________________________________________________________ Mailing address ___________________________________________________________ ___________________________________________________________ ___________________________________________________________ Telephone: ________________________ Fax: ________________________ E-mail: ___________________________________________________________ 1. Your experience using the following computer programs (circle one for each): Extensive None Criticality CSAS sequences 5 4 3 2 1 0 KENO V.a 5 4 3 2 1 0 UNIX Operating Systems 5 4 3 2 1 0 DOS Operating Systems 5 4 3 2 1 0 2. What are your personal objectives in taking this course (e.g., what do you hope to do or learn at the course)? Please mail and payment of $1,200 registration fee to:

    SCALE KENO-VI Training Course
    c/o Steve Bowman
    Oak Ridge National Laboratory
    P.O. Box 2008, MS 6370
    Oak Ridge, Tennessee 37831-6370

    NOTE: Course attendance is limited. PLEASE REGISTER EARLY!

    Course fees are refundable up to one month before each class. You may send a substitute in your place.


    Hotel Registration Form

    Several restaurants and shopping locations and the American Museum of Science and Energy are within walking distance of the hotel.
    Return to:

    GARDEN PLAZA HOTEL
    215 S. Illinois Avenue
    Oak Ridge, Tennessee 37830
    Tel.: 423/481-2468
    Fax: 423/481-2474

    Please reserve a room in my name in the block of rooms available for the SCALE KENO-VI Training Course.

    Block room rate: $63 per night including tax.

    Deadline for reserving a room at this special rate is April 27.

    Name _______________________________________________________________ Organization _______________________________________________________ Credit Card No. ____________________________________________________ Arrival Date & time:_____________Departure Date & Time______________

    Airline Reservations Information

    Delta Air Lines is offering special discounted fares for the SCALE KENO-VI Course. Some restrictions apply and seats are limited. To obtain these special fares, follow these steps:

    1. Call 1-800-241-6760 any day between 8:00 am and 11:00 pm Eastern Time.

    2. Refer to File Number Y2463.


    SCALE Newsletter is published twice a year by Oak Ridge National Laboratory and sponsored by the Spent Fuel Project Office of the U.S. Nuclear Regulatory Commission and by the Office of Transportation, Emergency Management, and Analytical Services of the U.S. Department of Energy.

    Address all correspondence (including address additions or changes) to:

    SCALE Newsletter
    Oak Ridge National Laboratory
    P.O. Box 2008, MS-6370
    Oak Ridge, TN 37831-6370

    FAX: (423) 576-3513

    E-mail: scalehelp@ornl.gov


    [NEAS logo] Click here to return to the NEAS Home Page

    [CPE logo] Click here to return to the ORNL CPED Home Page

    [back arrow] Click here to return to the ORNL Home Page

    Last Modified Fri Feb 14 08:32:36 EST 1997