Accession Number : AD0750601

Title :   PTDS2, a Program for Calculating the Thermal Diffuse Scattering in Integrated Intensities of Powder Pattern Reflections.

Descriptive Note : Technical rept.,

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 : 21

Abstract : SE Scattering in Integrated Intensities of Powder Pattern Reflections.Technical rept.,Walker,Christopher B. ;Chipman,David R. ;AMMRC-TR-72-27DA-1-T-061102-B-11-A1-T-061102-B-11-A-02(*diffraction analysis, *computer programs), crystal structure, x ray diffraction, phonons, anisotropy, instruction manuals, correctionscdc 6400 computers, fortran, fortran 4 programming language, univac 1108 computersThe 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 improves on previous approaches by employing a correct description of the frequencies and polarization vectors of the important long-wavelength phonons for materials of arbitrary elastic anisotropy. Detailed instructions are given for using the program, together with a complete listing. (Author)

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

Subject Categories : Computer Programming and Software
      Crystallography

Distribution Statement : APPROVED FOR PUBLIC RELEASE