Thursday, September 24, 2015

BGMN: the GUIs and unique features

There are two GUIs:  Dr. Doebelin's Profex and Dr. Bergmann's BGMNwin.

 Dr. Bergmann's BGMNwin was easy to use.  It is the file BGMNwin.jar.  For most window users, you just need to double click on it.  If it does not work, open the black command window, go to the BGMNwin directory, using cd command; then  type java -jar BGMNwin.jar;  looks to me that it was written in java, so you need to make sure you have java installed on the computer.

http://profex.doebelin.org/ is the web address of Dr Doebelin's profex, which is a front end of BGMN (fullprof).  it is very user friendly.  you don't need to be computer savvy to go through the procedure.  there are class notes and handouts to help understand the concept. 

______________Unique features________________

http://bgmn.de/features.html says


BGMN has an impressive set of features which are not to be found in this form in other Rietveld programs. 

  • Fully automatic calculation which requires no user interaction
    • best numerical algorithms specially designed for BGMN which guarantee an extreme numerical stability
    • physical based peak model which eliminates the refinement of peak profile parameters (no more refinement of u, v, w)
    • automated background refinement
    • unlimited number of phases, parameters, measuring points etc.

  • Correction of strong and multiple preferred orientation with spherical harmonics:
    • can correct the strong preferred orientation of phyllosilicates
    • can correct the PO of phases with multiple cleavage
    • automatic decision about applicability of complicated models

  • Pre-defined models for microstructure related line broadening effects:
    • refinement of crystallite size broadening effects with 1-2 parameters per phase; 6-7 in anisotropic case
    • refinement of microstrain with one parameter per phase; 6 or 15 in anisotropic case

  • Phase analysis of disordered layer silicates/clays by implementation of advanced real structure models (e.g. for kaolinite and chlorites)
    • succesful description of strong disordered kaolinite
    • modelling of turbostratically disordered phases possible, e.g. smectites
    • recursive modelling of random stacked clay minerals etc.

  • BGMN now is multithread-enabled and therefore gains in speed from multicore PCs/workstations.
    • In special, this is the solution for bringing time-consuming recursive structure models into the reach of daily laboratory analysis.

  • Correction of microabsorption with the Brindley model
    • only the mean particle size has to be provided

  • Calculation of amorphous content by an internal standard method possible
  • Structure interpreter language for free definition of new parameters and constraints between parameters
  • This language includes special features for structure investigation and refinement:
    • enables the definition of rigid and non-rigid bodies
    • non-rigid bodies may be distorted by shifting, rotation or torsion of the whole or parts of them
    • built in force field model to ensure optimal distances between the atoms and to guarantee chain concatenation
_____________

Papers by any one of these are joy to read, from my personal experience.
J. Bergmann; R. Kleeberg; K. Ufer; P. Friedel

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