Computer Programs
PSR-0158 SAMMY 8.1.0.
last modified: 30-AUG-2017 | catalog | categories | new | search |

PSR-0158 SAMMY 8.1.0.

SAMMY 8.1.0, Multilevel R-Matrix Fits to Neutron and Charged-Particle Cross-Section Data Using Bayes' Equations

top ]
1. NAME OR DESIGNATION OF PROGRAM

SAMMY 8.1.0

top ]
2. COMPUTERS
To submit a request, click below on the link of the version you wish to order. Rules for end-users are available here.
Program name Package id Status Status date
SAMMY-8.1.0 PSR-0158/18 Arrived 30-AUG-2017

Machines used:

Package ID Orig. computer Test computer
PSR-0158/18 MAC,MacOS,Linux-based PC,PC Windows
top ]
3. DESCRIPTION OF PROGRAM OR FUNCTION

Please see the home page https://www.ornl.gov/division/rnsd/nuclear-data-and-criticality-safety for the ORNL Nuclear Data Group and links from there to the SAMMY homepage.

 

The purpose of the code is to analyze time-of-flight cross section data in the resolved and unresolved resonance regions, where the incident particle is either a neutron or a charged particle (p, α, d, ...). Energy-differential cross sections and angular-distribution data are treated, as are certain forms of energy-integrated data.

 

In the resolved resonance region (RRR), theoretical cross sections are generated using the Reich-Moore approximation to R-matrix theory (and extensions thereof). Sophisticated models are used to describe the experimental situation: Data-reduction parameters (e.g. normalization, background, sample thickness) are included. Several options are available for both resolution and Doppler broadening, including a crystal-lattice model for Doppler broadening. Self-shielding and multiple-scattering correction options are available for analysis of capture cross sections. Multiple isotopes and impurities within a sample are handled accurately.

 

Cross sections in the unresolved resonance region (URR) can also be analyzed using SAMMY. The capability was borrowed from Froehner’s FITACS code; SAMMY modifications for the URR include more exact calculation of partial derivatives, normalization options for the experimental data, increased flexibility for input of experimental data, introduction of user-friendly input options.

 

In both energy regions, values for resonance parameters and for data-related parameters (such as normalization, sample thickness, effective temperature, resolution parameters) are determined via fits to the experimental data using Bayes’ method (see below).  Final results may be reported in ENDF format for inclusion in the evaluated nuclear data files.

 

The new features added to SAMMY 8.1.0 include:

  1. The auxiliary code SAMINT is now distributed with SAMMY. SAMINT can be used to include the information in integral benchmark experiments in the analysis of the RRR along with differential experimental data.

  2. New detector resolution functions based on MCNP simulations for liquid scintillator detector EJ-301, and for lithium glass detector NE-110.

  3. Updated physical constants in SAMMY to make results identical to SAMRML’s.

  4. Improved SQA by modernized build, test, version control, and bug tracking processes.

top ]
4. METHODS

Bayes’ Theorem (generalized least squares) is used to find the “best fit” values of parameters and the associated parameter covariance matrix.  In the RRR, different data sets, or different energy ranges of the same data set, may be analyzed either simultaneously (though the implementation is somewhat awkward) or sequentially with results effectively equivalent to those which would be obtained via a simultaneous analysis, provided the output parameter values and covariance matrix from the first analysis are used as input to the second analysis. Also included are expeditious methods (the “propagated uncertainty parameter” and “implicit data covariance” procedures) of including the correct data covariance matrix within the fitting procedure. In the RRR, sequential analysis is the default mode though analyses can also be performed simultaneously.  In the URR, the default mode is simultaneous analysis, though capability for sequential analyses is also available.

top ]
5. RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM

None noted.

top ]
6. TYPICAL RUNNING TIME

Run time varies with the number of resonances and the number of channels per resonance, the number of flagged parameters, the number of data points to be fitted, the number and type of corrections for experimental conditions that must be applied, and the particular computer system on which the code is run. Each of the nine runs in test case tr001 took less than 0.15 second on a Dec Alpha computer under UNIX. The longest run in test case tr039, involving full multiple-scattering correc­tions plus Doppler broadening for 1751 data points, 123 resonances, and 36 varied parameters,  required 73 seconds of cpu time.  Under 200 seconds were needed for the longest run in test case tr071, with 3193 resonances, 590 varied parameters, and 3021 data points with both Doppler and resolution broadening.

top ]
8. RELATED OR AUXILIARY PROGRAMS

Eighteen auxiliary codes are provided along with the SAMMY code. These codes aid with such processes as preparing input, plotting results, studying statistical properties of resonance parameters, or including integral benchmark data as part of the experimental data set in the resolved resonance region (RRR). A complete list and description of the auxiliary codes are provided in Section X of the Updated Users’ Guide for SAMMY [1]

  • ANGODF Convert PLOT file from energy/angle to angle/energy

  • CONVRT convert from REFIT input to SAMMY or vice versa

  • SAMAMR Add, mix, or recover variables in COVariance file

  • SAMAMX Alter the value of one non-varied parameter in the COVariance file after completion of an analysis

  • SAMCPR Compare SAMMY calculations to those from other sources

  • SAMDIS Calculate statistical distributions for resonance parameters

  • SAMFTZ Modify the experimental energies with t and L

  • SAMINT Include integral benchmark data as part of the experimental data set for RRR evaluation [2]

  • SAMORT Plot the ORR resolution function

  • SAMPLT Alternative form for plot files

  • SAMQUA Generate resonance quantum numbers for particle pairs

  • SAMRML Read ENDF File 2; calculate cross sections and derivatives

  • SAMRPT Plot RPI resolution function

  • SAMRST Plot Gaussian plus exponential resolution function

  • SAMSMC Monte Carlo calculation of multiple scattering corrections

  • SAMSTA Generate staircase plots of resonance widths

  • SAMTHN Thin experimental data

  • SUGGEL Estimate quantum numbers for resonances

top ]
9. STATUS
Package ID Status date Status
PSR-0158/18 30-AUG-2017 Masterfiled Arrived
top ]
10. REFERENCES

Background references: Please see references cited in the SAMMY users’ manual (ORNL/TM-9179/R8).

PSR-0158/18, included references:
- N. M. Larson, "Updated Users' Guide for SAMMY: Multilevel R-Matrix Fits to
Neutron Data Using Bayes' Equations," ORNL/TM-9179/R8 ENDF-364/R2 (October
2008).

- V. Sobes, L. Leal, G. Arbanas, "Updated Users' Guide for SAMINT: A Code for
Resonance Parameter Adjustment with Sammy Based on Integral Experiments,"
ORNL/TM-2014/245 (August 2014).

- A. Youmans, L. Leal, R. Bahran, D. Yaron, G. Arbanas, "Improving Neutron
Cross Section Data Analysis via Accurate Detector Resolution Functions from
Monte-Carlo Simulations"
top ]
11. HARDWARE REQUIREMENTS

SAMMY 8.1.0 was compiled by gfortran and ifort, and tested on Mac, Windows, and Linux.

top ]
12. PROGRAMMING LANGUAGE(S) USED
Package ID Computer language
PSR-0158/18 FORTRAN
top ]
13. SOFTWARE REQUIREMENTS

8.1.0: GNU gfortran compiler v. 4.8.* and 4.9.* were used to compile SAMMY on Mac OS X 10.9.5 and on GNU/Linux 2.6.9, while Intel ifort compiler v. 15 was used to compile SAMMY on Linux 2.6.9 and Windows Server 2012.

top ]
15. NAME AND ESTABLISHMENT OF AUTHORS

Contributed by: Radiation Safety Information Computational Center

                Oak Ridge National Laboratory

                Oak Ridge, Tennessee, U. S. A.

 

Developed by:   Oak Ridge National Laboratory

                Oak Ridge, Tennessee, U. S. A.

top ]
16. MATERIAL AVAILABLE
PSR-0158/18
source
test cases
electronic documentation
top ]
17. CATEGORIES
  • A. Cross Section and Resonance Integral Calculations
  • O. Experimental Data Processing

Keywords: ENDF, R matrix, neutron cross sections, nuclear models, reich-moore formula, resolved region, resonance.