Conference Agenda

Overview and details of the sessions of this conference. Please select a date or location to show only sessions at that day or location. Please select a single session for detailed view (with abstracts and downloads if available).

Please note that all times are shown in the time zone of the conference. The current conference time is: 1st Nov 2024, 12:54:04am CET

 
 
Session Overview
Session
MS-44: Beyond pure point diffraction: Theory and application of diffuse scattering
Time:
Wednesday, 18/Aug/2021:
10:20am - 12:45pm

Session Chair: Nicolae Strungaru
Session Chair: Uwe Grimm
Location: Club H

100 1st floor

Invited: Chrizaldi Neil Manibo (Germany),  Ella Mara Schmidt (Germany)


Session Abstract

Traditionally crystallography was concerned with diffraction patterns exhibiting a set of distinct Bragg peaks. Following the discovery of quasicrystals a lot of different aperiodic structures and their diffraction patterns have been studied. Apart from pure point diffraction, systems with purely singular or absolutely continuous spectrum have been found, as well as systems with mixed spectra. On the other hand, experimentalists become more and more interested in diffuse scattering. Although a lot of progress has been made in the last decades, our knowledge of matter and its diffraction properties is still far from complete. This microsymposium intends to bring together mathematicians and experimentalists to present their new results and exchange ideas to improve our understanding of the various kinds of diffraction spectra.

For all abstracts of the session as prepared for Acta Crystallographica see PDF in Introduction, or individual abstracts below.


Introduction
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Presentations
10:20am - 10:25am
ID: 1775 / MS-44: 1
Introduction
Oral/poster

Introduction to session

Nicolae Strungaru, Uwe Grimm



10:25am - 10:55am
ID: 276 / MS-44: 2
Bursary application
Invited lecture to session
MS: Beyond pure point diffraction: Theory and application of diffuse scattering
Keywords: Mathematical diffraction, aperiodic tilings, absolutely continuous spectrum

The mathematics of absolutely continuous diffraction

Chrizaldy Neil Manibo

Bielefeld University, Bielefeld, Germany

Bibliography
1. M. Baake, F. Gaehler, N. Mañibo, Renormalisation of pair correlation measures for primitive inflation rules and absence of absolutely continuous diffraction, Commun. Math. Phys. 370 (2019) 591--635.

2. M. Baake, U. Grimm, N. Mañibo, Spectral analysis of a family of binary inflation rules, Lett. Math. Phys. 108 (2018) 1783-1805

3. N. Mañibo, Lyapunov exponents for binary substitutions of constant length,
J. Math. Phys. 58 (2017) 113504

4. M. Baake, M. Coons, N. Mañibo, Binary substitutions of constant length and Mahler measures of Borwein polynomials, in From Analysis to Visualization, B. Sims, et.al. (eds.), in press, Springer (2020)
External Resource:
Video Link


10:55am - 11:25am
ID: 401 / MS-44: 3
Bursary application
Oral/poster
MS: Beyond pure point diffraction: Theory and application of diffuse scattering, Disordered materials: spectroscopic and scattering techniques
Keywords: diffuse scattering, mean field theory

Mean field theory calculations to model single crystal diffuse scattering

Ella Mara Schmidt, Johnathan Bulled, Andrew Goodwin

University of Oxford, Oxford, United Kingdom

Bibliography
2021 Hua, X., P.K., Gong, C., Chater, P.A., Schmidt, E. M. et al. Nature communications, 12: 1-11
2020 Berlinghof, M., Langner, S., Harreiß, C., Schmidt, E. M. et al. Zeitschrift für Kristallographie-Crystalline Materials, 235: 15-28.
2019 Schmidt, E. M. & Neder, R. B. Physical Review B 100: 054201
2017 Schmidt, E. & Neder, R. B. Acta Crystallographica, A 73: 231-237.
2017 Schiener, A., Schmidt, E., Bergmann, C., Seifert, S., Zahn, D., Krach, A. & Magerl, A. Zeitschrift für Kristallographie-Crystalline Materials 232: 39-46.
2016 Zobel, M., Windmüller, A., Schmidt, E. M., Götz, K., Milek, T., Zahn, D. & Neder, R. B. CrystEngComm 18: 2163-2172.
2016 Krüger, B., Schmidt, E. M. & Mecke, K. Journal of Statistical Physics 163: 514-543.
2015 Krüger, B., Schmidt, E. M. & Mecke, K. New Journal of Physics 17: 023013.
External Resource:
Video Link


11:25am - 11:45am
ID: 617 / MS-44: 4
Physics and fundamental crystallography
Oral/poster
MS: Beyond pure point diffraction: Theory and application of diffuse scattering
Posters only: Physical and fundamental crystallography (if it does not fit to any specific topics)
Keywords: localized X-ray modes, Kossel line patterns, optical Kossel lines

KOSSEL LINES AND X-RAY LOCALIZED CONICAL MODES

Vladimir Alekseevich Belyakov

Landau Institute for Theoretical Physics, Moscow, Russian Federation

External Resource:
Video Link


11:45am - 12:05pm
ID: 1210 / MS-44: 5
Physics and fundamental crystallography
Oral/poster
MS: Beyond pure point diffraction: Theory and application of diffuse scattering
Posters only: Physical and fundamental crystallography (if it does not fit to any specific topics)
Keywords: 3DED, HAADF-STEM, material defects, correlated disorder, diffuse scattering

Characterization of the correlated disorder in Ge2Bi4Te7

Matthias Quintelier, Stefano Canossa, Mylène Hendrickx, Romy Poppe, Joke Hadermann

University of Antwerp, Wommelgem, Belgium

External Resource:
Video Link


12:05pm - 12:25pm
ID: 1272 / MS-44: 6
Methods and instruments
Oral/poster
MS: Beyond pure point diffraction: Theory and application of diffuse scattering
Keywords: Single crystal diffuse scattering, disorder engineering, local structure, 3D-PDF

Tuning of disordered local structure in Prussian Blue analogues

Yevheniia Kholina, Arkadiy Simonov

ETH Zurich, Zurich, Switzerland

External Resource:
Video Link


12:25pm - 12:45pm
ID: 754 / MS-44: 7
Physics and fundamental crystallography
Oral/poster
MS: Beyond pure point diffraction: Theory and application of diffuse scattering
Keywords: reverse Monte Carlo; nano-size effect; peak profile tabulation; finite resolution effect

Implementation for coping with sample and instrument effects for reverse Monte Carlo modelling of total scattering data

Yuanpeng Zhang

Oak Ridge National Laboratory, Knoxville, United States of America

External Resource:
Video Link


 
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