% IMPORTANT: The following is UTF-8 encoded. This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.
@PHDTHESIS{Meinerzhagen:995530,
author = {Meinerzhagen, Yannick Alexander},
othercontributors = {Dronskowski, Richard and Zobel, Mirijam},
title = {{W}eiterentwicklung und {A}nwendung der mehrdimensionalen
{R}ietveldverfeinerung},
school = {RWTH Aachen University},
type = {Dissertation},
address = {Aachen},
publisher = {RWTH Aachen University},
reportid = {RWTH-2024-09969},
pages = {1 Online-Ressource : Illustrationen},
year = {2024},
note = {Veröffentlicht auf dem Publikationsserver der RWTH Aachen
University; Dissertation, RWTH Aachen University, 2024},
abstract = {This thesis presents the development and application of
multidimensional Rietveld refinement. The method extracts
information from measurement data from time-of-flight
neutron powder diffractometers to a greater extent than
previously possible. The method promises great added value,
especially for the POWTEX@FRMII instrument currently under
development. When evaluating the measurement data,
information can be used for refinement that was previously
discarded during data reduction.For the creation of
multidimensional data sets, the data reduction was published
in the computer program Mantid under the algorithm
PowderReduceP2D. The data sets created in Mantid were
refined with a modified version of the computer program
GSAS-II and further functionalities were added for the
multidimensional case. The multidimensional Rietveld
refinement was tested on different samples and extended to
the POWGEN@SNS and SNAP@SNS instruments as part of these
tests. The first data set examined consisted of measurement
data of BaZn(NCN)2 and was recorded with a test setup of the
POWTEX detector on the POWGEN@SNS instrument. With the data
from a high-pressure measurement of PbNCN on the SNAP@SNS
instrument, multiphase refinements could be carried out
multidimensionally for the first time.An internal structural
change was also observed. Measurements of CuNCN and
Fe[C5H5N]2[N(CN)2]2 on the instrument POWGEN@SNS allowed the
testing of rigid bodies, constraints and the description of
microstresses.A comparison of all refinement results shows
that the multidimensional method provides more precise
results, for example for lattice parameters or atomic
positions.It also emphasizes the differences between
comparable bonds more strongly.},
cin = {151110 / 150000},
ddc = {540},
cid = {$I:(DE-82)151110_20140620$ / $I:(DE-82)150000_20140620$},
pnm = {BMBF 05K19PA1 - POWTEX -
Hochintensitäts-Flugzeitneutronendiffraktometer am FRM II
(05K19PA1) / BMBF 05K16PA2 - POWTEX -
Hochintensitäts-Flugzeitneutronendiffraktometer am FRM II
(05K16PA2) / DFG project G:(GEPRIS)460248799 - DAPHNE4NFDI -
DAten aus PHoton- und Neutronen Experimenten für NFDI
(460248799)},
pid = {G:(BMBF)05K19PA1 / G:(BMBF)05K16PA2 / G:(GEPRIS)460248799},
typ = {PUB:(DE-HGF)11},
doi = {10.18154/RWTH-2024-09969},
url = {https://publications.rwth-aachen.de/record/995530},
}
guest ::