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SUMMARY:Promotionsvortrag Physik: Aspherical Form-Factor Modeling and 
 Data Reconstruction for X-Ray Powder Diffraction
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 00000010000000162F2A31C90BD443BF85C506E05FD0F2
DESCRIPTION:Ankündigung des Promotionsvortrags von: Herrn Kárel Garc
 ía Medina X-ray diffraction (XRD) is a powerful tool for the characte
 rization of crystalline materials\, providing information on crystal s
 tructure\, phase composition\, and other structural parameters. In XRD
  analysis\, an a priori model of the expected diffraction pattern is c
 ommonly formulated from a proposed crystal structure and subsequently 
 refined against experimental data. Conventionally\, scattering form fa
 ctors are assumed to be independent and spherically symmetric. This In
 dependent Atom Model (IAM) simplification reduces computational comple
 xity but can lead to significant discrepancies between calculated and 
 experimental data\, particularly for complex organic molecular structu
 res. Additionally\, technical and instrumental limitations affecting t
 he quality of experimental data can further complicate the refinement 
 process. In this thesis\, Aspherical Atomic Model (AAM) scattering for
 m factors were integrated into a computational workflow for X-ray diff
 raction analysis and structure refinement to improve the accuracy of s
 tructural models and the reliability of the results. Physics-driven da
 ta-enhancement techniques were also developed\, implemented\, and appl
 ied to improve the quality of experimental data and thereby support th
 e refinement process. The results demonstrate that AAM scattering form
  factors and advanced data-processing techniques can significantly imp
 rove the accuracy of XRD analysis and structure refinement\, even for 
 low-resolution powder data\, leading to more reliable structural resul
 ts. (Vortrag auf Englisch) Dem Vortrag schließt sich eine Diskussion 
 von 15 Minuten an. Vortrag und Diskussion sind öffentlich. Diesen Ver
 fahrensteilen folgt ein nicht öffentliches Rigorosum von 45 Minuten.
DTSTART:20261111T073000Z
DTEND:20261111T090000Z
LOCATION:SR 00.156\, IZNF\, Cauerstr. 3\, Erlangen
DTSTAMP:20261106T021749Z
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