PSR-0263 SPECTER-ANL.

SPECTER-ANL, Neutron Damage for Material Irradiation

NAME OR DESIGNATION OF PROGRAM, COMPUTER, DESCRIPTION OF PROGRAM OR FUNCTION, METHOD OF SOLUTION, RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM, TYPICAL RUNNING TIME, UNUSUAL FEATURES OF THE PROGRAM, RELATED AND AUXILIARY PROGRAMS, STATUS, REFERENCES, MACHINE REQUIREMENTS, LANGUAGE, OPERATING SYSTEM UNDER WHICH PROGRAM IS EXECUTED, OTHER PROGRAMMING OR OPERATING INFORMATION OR RESTRICTIONS, NAME AND ESTABLISHMENT OF AUTHORS, MATERIAL, CATEGORIES

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1. NAME OR DESIGNATION OF PROGRAM: SPECTER-ANL.

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2. COMPUTERS

To submit a request, click below on the link of the version you wish to order. Only liaison officers are authorised to submit online requests. Rules for requesters are available here.

Program name	Package id	Status	Status date
SPECTER-ANL	PSR-0263/01	Tested	09-MAY-1989

Machines used:

Package ID	Orig. computer	Test computer
PSR-0263/01	DEC VAX series	DEC VAX 8810

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3. DESCRIPTION OF PROGRAM OR FUNCTION

SPECTER calculates spectral- averaged displacements, recoil spectra, gas production, and total damage energy (Kerma) for 41 pure elements using ENDF/B-V derived cross sections. The user need only specify a neutron energy spectrum. Because SPECTER does not handle compounds, SPECOMP was developed to determine displacement damage for alloys, insulators, and breeder materials.

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4. METHOD OF SOLUTION

In SPECTER elastic scattering is treated exactly including angular distributions from ENDF/B-V. Inelastic scattering calculations consider both discrete and continuous nuclear level distributions. Multiple (n,xn) reactions use a Monte Carlo technique to derive the recoil distributions. The (n,d) and (n,t) reactions are treated as (n,p) and (n,3He) as (n,4He). The neutron-gamma reaction and subsequent beta-decay are also included, using a new treatment of gamma-gamma coincidences, angular correlations, beta-neutrino correlations and the incident neutron energy. The Lindhard model was used to compute the energy available for nuclear displacement at each recoil energy. SPECOMP reads the required files from SPECTER, computes secondary displacement functions for each combination of recoil and matrix atom, and then integrates over recoil energy to find the net displacement cross section at each neutron energy. Damage due to neutron, gamma-ray and beta decay events is then added in and the results are summed to obtain the total dpa cross section.

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5. RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM

The DISCS computer code was used to process ENDF/B-V data for 41 pure elements for use with SPECTER-ANL. SPECOMP can use any combination of four elements in a single run.

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6. TYPICAL RUNNING TIME

SPECTER used about 13 minutes of wall clock time on the VAX 8650 under VAX/VMS 4.5 operating system using the sample data provided. SPECOMP took about 2 minutes of wall clock time to execute.

PSR-0263/01

NEA-DB ran the test case included in this package on a VAx 8810 computer. Execution times were: 215 seconds (SPECTER); 24 seconds (SPECOMP).

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7. UNUSUAL FEATURES OF THE PROGRAM:

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8. RELATED AND AUXILIARY PROGRAMS:

PSR-0263/01

SPECOMP             Neutron damage calculations for compounds
GAS157              ENDF/B-5 gas production data library
MACKLIB Kerma or rads total damage library from ENDF/B-5 PKAMIN              Primary knock-on atom data library
SIGD                Displacements-per-atom data library

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9. STATUS

Package ID	Status date	Status
PSR-0263/01	09-MAY-1989	Tested at NEADB

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10. REFERENCES

- L.R. Greenwood
Compound Displacement Damage Calculations with SPECOMP,
Informal Notes, Argonne National Laboratory, (February 1988).

PSR-0263/01, included references:

- L.R. Greenwood and  R.K. Smither:
  SPECTER: Neutron Damage Calculations for Materials Irradiations
  ANL/FPP/TM-197 (January 1985)

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11. MACHINE REQUIREMENTS

SPECTER-ANL and SPECOMP run on the VAX. Versions have also run on Cray and IBM computers.

PSR-0263/01

To run the test cases on a VAX 8810 computer, main storage requirements were: 212K bytes (SPECTER); 241K bytes (SPECOMP).

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12. PROGRAMMING LANGUAGE(S) USED

Package ID	Computer language
PSR-0263/01	FORTRAN-77

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13. OPERATING SYSTEM UNDER WHICH PROGRAM IS EXECUTED: The VAX FORTRAN 4.6 compiler was used.

PSR-0263/01

VAX VMS V5.0-1 with compiler VAX FORTRAN V5.0-1.

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14. OTHER PROGRAMMING OR OPERATING INFORMATION OR RESTRICTIONS:

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15. NAME AND ESTABLISHMENT OF AUTHORS

Contributed by:
Argonne National Laboratory
Argonne, Illinois

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16. MATERIAL AVAILABLE

PSR-0263/01

File name	File description	Records
PSR0263_01.001	Information file	100
PSR0263_01.002	SPECTER command procedure	9
PSR0263_01.003	SPECOMP command procedure	8
PSR0263_01.004	SPECTER Fortran-77 source	521
PSR0263_01.005	SPECOMP Fortran-77 source	280
PSR0263_01.006	Input to SPECTER (unit 19)	304
PSR0263_01.007	Input to SPECTER (unit 18)	1080
PSR0263_01.008	Input to SPECTER (unit 5)	705
PSR0263_01.009	Input to SPECTER (unit 17)	1581
PSR0263_01.010	Input to SPECOMP (unit 17)	41
PSR0263_01.011	Input to SPECTER (unit 23)	46
PSR0263_01.012	Input to SPECTER (unit 10), SPECOMP(unit 10)	52890
PSR0263_01.013	Input to SPECTER (unit 15), SPECOMP(unit 12)	8241
PSR0263_01.014	Input to SPECOMP (unit 05)	9
PSR0263_01.015	SPECTER sample output	9472
PSR0263_01.016	SPECOMP sample output	1343

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17. CATEGORIES

J. Gamma Heating and Shield Design

Keywords: kerma factors, radiation heat, recoil spectra.