Accession Number : AD0750602

Title :   PTDS3, a Program for Calculating the Thermal Diffuse Scattering in Integrated Intensities of Powder Pattern Reflections,

Corporate Author : ARMY MATERIALS AND MECHANICS RESEARCH CENTER WATERTOWN MASS

Personal Author(s) : Walker,Christopher B. ; Chipman,David R.

Report Date : JUL 1972

Pagination or Media Count : 15

Abstract : CULATING THE Thermal Diffuse Scattering in Integrated Intensities of Powder Pattern Reflections,Walker,Christopher B. ;Chipman,David R. ;AMMRC-TR-72-28DA-1-T-061102-B-11-A1-T-061102-B-11-A-02(*diffraction analysis, *computer programs), crystal structure, x ray diffraction, phonons, instruction manuals, correctionscdc 6400 computers, fortran, fortran 4 programming languageThe report describes a FORTRAN computer program to calculate the correction for one-phonon thermal diffuse scattering included in the measured integrated intensity of a powder pattern reflection from a monatomic cubic material. The method, based on a modified Warren model, requires very little computation time and gives reasonably accurate results under most conditions even for very anisotropic materials. Detailed instructions are given for using the programs, together with a complete listing. (Author)

Descriptors :   (*DIFFRACTION ANALYSIS, *COMPUTER PROGRAMS), CRYSTAL STRUCTURE, X RAY DIFFRACTION, PHONONS, INSTRUCTION MANUALS, CORRECTIONS

Subject Categories : Computer Programming and Software
      Crystallography

Distribution Statement : APPROVED FOR PUBLIC RELEASE