PTDS2, a Program for Calculating the Thermal Diffuse Scattering in Integrated Intensities of Powder Pattern Reflections.
ARMY MATERIALS AND MECHANICS RESEARCH CENTER WATERTOWN MASS
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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-02diffraction 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
- Computer Programming and Software