Day to Day Program

Day to Day Program

August 28-30

Petrarca Room

15th TOPAS Users’ Meeting

Friday, August 30


8:30 – 13:00 Palladio Room

ICDD Workshop


13:30 – 19:30

Registration


16:00 – 18:30 Giotto Room

Plenary
J. Wright
 – “Imaging Single Crystals in Powder Samples”

EPDIC18 Opening Ceremony
Introduction
by Rosanna Rizzi, Chair of EPDIC18
Greetings from Jasminka Popovic, Chair of the EPDIC Committee

Distinguished Powder Diffractionist Award sponsored by Bruker
P. Scardi – “40 Years of Diffraction Line Profile Analysis: from Scherrer Equation to Whole Powder Pattern Methods”


19:30 – 22:00

Welcome Party at Conference Venue

Saturday, August 31


8:30 – 9:30 Mantegna Room

Plenary
J.S.O. Evans
– “Powder Diffraction for Perfecting Chemistry”


9:30 – 10:00

Coffee Break sponsored by Polycrystalline

MS01 The current state and future prospects of Functional Materials

Chairs:
Dave G. Billing
Giorgia Confalonieri

10:00 – 12:00
Mantegna Room


10:00 – 10:30 Keynote1

Kirsten M. Ø. Jensen (Univ. of Copenhagen, Denmark)
“In situ and operando total scattering studies of materials for electrocatalysis”.


10:30 – 11:00 Keynote2

Matteo Bianchini (Univ. of Bayreuth, Germany)
“In situ observation of crystallographic transformations during (electro)chemical reactions in positive electrode materials”.


11:00 – 11:20 Oral1

E. Trzop – “Ultrafast photoinduced phase transition dynamics in the RbMnFe Prussian Blue Analogue studied by streaming powder X-ray diffraction”.


11:20 – 11:40 Oral2

O. Grendal – “Lead vs bismuth: Effect of incommensurately modulated structures on polar order in tetragonal tungsten bronzes”.


11:40 – 12:00 Oral3

S. Simpson – “Resolving the origins of ferroelectricity in hexagonal barium titanate”.

MS10 Microstructure, texture and line profile analysis

Chairs:
Nathalie Audebrand
David Rafaja

Carraresi Room
10:00 – 12:00


10:00 – 10:30 Keynote1

Karen Pantleon (Technical University of Denmark – DTU, Denmark)
“Internal structure of electroplated iron-based alloy coatings with extreme hardness”.


10:30 – 11:00  Keynote2

Andras Borbely (Mines Saint-Étienne, France)
“Strain anisotropy in plastically deformed crystals”.


11:00 – 11:20 Oral1

D. Balzar – “A comparison between phenomenological and physically based methods for line-broadening”.


11:20 – 11:40 Oral2

Y. Feldman – “X-ray diffraction analysis of layered compounds: from regular structures to nanoparticles with curved turbostratic layers”.


11:40 – 12:00 Oral3

M.H. Mendenhall – “Application of SRM1979 ZnO standard to x-ray line profile analysis for powder microstructure measurement”.


12:00 – 13:30
Lunch
Carraresi Room – Software Fayre

F. Bertolotti
Debussy a Debye User System for nanocrystalline and defective materials

M. Coak
SquidLab – a user-friendly program for background subtraction and fitting of magnetization data


12:30 – 13:15 Mantegna Room
Malvern Panalytical Seminar

Pushing the boundaries of powder diffraction and beyond.
Join us for our EPDIC18 seminar to discover the latest news about Malvern Panalytical portfolio. Come to learn about how one of the most significant aberrations that affect the results of X-ray powder diffraction (XRPD) experiments which can lead to an incorrect determination of d-spacings and lattice parameters, or to wrong materials found in phase identification analysis can be properly addressed. Are you instead more interested in texture measurements? Then, you will learn about how a new optical module can allow up one order of magnitude faster measurement. This is just a glimpse of what you will be able to learn thank to this seminar.

MS08 Magnetic structures and neutron scattering

Chairs:
Oksana Zaharko
Mark Senn

Mantegna Room
13:30 – 15:30


13:30 – 14:00 Keynote1

Matthew Coak (Univ. of Birmingham, UK)
“Tuning dimensionality and magnetism in van-der-Waals Mott insulators FeP(S,Se)3”.


14:00 – 14:30 Keynote2

Fabio Denis Romero (Univ. of Grenoble Alpes, CNRS, Institut Néel, France)
“Frustration and A’ magnetic order in AA’3B4O12 quadruple perovskites”.


14:30 – 14:50 Oral1

J. Cedervall – “The effect of Manganese substitutions on the magnetism in Fe2P-based compounds”.


14:50 – 15:10 Oral2

A.M. Arévalo-López – “CoVO3 high-pressure polymorphs: To order or not to order?”.


15:10 – 15:30 Oral3

S.-H. Park – “New magnetic structures of Al-bearing lithium ferrite as potential RT multiferroics”.

MS05 Innovation in structure solution and refinement

Chairs:
Jan Rohlicek
Elena Kabova

Carraresi Room
13:30 – 15:30


13:30 – 14:00 Keynote1

Mark Spillman (UK Civil Service, UK)
“GPU-accelerated molecular crystal structure determination from powder diffraction data”.


14:00 – 14:30 Keynote2

Martin Schmidt (Goethe Univ., Germany)
“Structure determination of nanocrystalline organic compounds by a global fit to the PDF”.


14:30 – 14:50 Oral1

M. Spiliopoulou – “Extending the limits of macromolecular powder diffraction: The case of porcine pancreatic elastase”.


14:50 – 15:10 Oral2

S. Cassidy – “A shortcut in structural solution for layered systems”.


15:10 – 15:30 Oral3

A. Sednev Lugovets – “Dypingite: structural properties of the nature-inspired water filter”.


15:30 – 17:00

Coffee Break sponsored by Polycrystalline
Software Fayre
Poster Session (MS01, MS03, MS04, MS05, MS08, MS10)


16:00 – 17:00 Carraresi Room
Rigaku Seminar

In the seminar “High Resolution Powder Diffraction Measurements with the Rigaku SmartLab Diffractometer – Hardware Explained“, Dr. Oleksandr Slipeniuk, Manager Business Development and Regional Sales Rigaku Europe SE, will explore the details of high-resolution powder diffraction. He will clarify what high resolution means and discuss its effects on both the sample and the capabilities of the diffractometer. The presentation will highlight the limitations imposed by these high-resolution requirements and examine how different configurations of the Rigaku SmartLab diffractometer enhance performance to achieve superior results.


17:00 – 17:30 Mantegna Room
Best Poster Awards

17:30 – 18:30 Mantegna Room

Plenary
A. Fitch – “High resolution powder diffraction at ID22”.


19:30 – Palazzo Liviano

Cultural Event  – Jazz Concert


21:00 – Parco MILCOVICH / ARCELLA BELLA

Student Mixer

Sunday, September 1


8:30 – 9:30 Mantegna Room

Plenary
M. Zobel
– “Chasing hydration shells in iron oxide nanoparticle dispersions”.


9:30 – 10:00

Coffee Break

MS09 Combining complementary techniques for structural studies

Chairs:
Antonia Neels
Kenneth Harris

Mantegna Room
10:00 – 12:00


10:00 – 10:30 Keynote1
Marianne Liebi (EPFL and PSI, Switzerland)

“SAXS imaging in Biomedical Applications”.


10:30 – 11:00  Keynote2
Doris Braun (Univ. of Innsbruck, Austria)
“Structural Exploration of Multi-Component Systems: Complementary Experimental and Computational Insights”.
 

11:00 – 11:20 Oral1
M. Vandone – “A direct comparison of the accuracies of the structural models of a MOF obtained using a diverse set of X-ray diffraction techniques”.
 

11:20 – 11:40 Oral2

C. Archinard – “Lamellar hybrid materials with solid-solid phase transitions for thermal energy storage: a multi-technique study”.


11:40 – 12:00 Oral3

G.B. Lawrence – “Oxygen isotopic enrichment in pure silica chabazite zeolite”.

MS06 Nanomaterials, surfaces and interfaces

Chairs:
Paolo Scardi
Sebastian Bette

Carraresi Room
10:00 – 12:00


10:00 – 10:30 Keynote1

Sebastian Mangelsen (Univ. of Kiel, Germany)
“Where the journey begins: Hydroxycarbonates for the preparation of catalysts”.


10:30 – 11:00  Keynote2

Federica Bertolotti (Univ. Insubria, Italy)
“Shedding light on halide perovskite nanocrystals with total scattering methods”.


11:00 – 11:20 Oral1

G.B. Strapasson – “Oxygen vacancy-induced phase transformations of Ti1-xFexO2-0.5x nanostructures”.


11:20 – 11:40 Oral2

N. Dengo – “In-situ SAXS/WAXS coupled with UV-Vis spectroscopy for the time-resolved investigation of nucleation and growth of lead halide perovskite nanocrystals”.


11:40 – 12:00 Oral3

A. Kirsch – “Navigating Complexity: Strategies for Structure Control in High-Entropy Oxides”.


12:00 – 13:30

Lunch
Software Fayre


12:30 – 13:15 Carraresi Room
Anton Paar Seminar

60 years of XRD at Anton Paar: Driving XRD into the future.
Join us for this lunch seminar to learn about Anton Paar’s latest advances in X-ray diffraction (XRD) instrumentation and applications. 2024 marks 60 years since the launch of the first non-ambient XRD attachment from Anton Paar.
We would like to invite you to celebrate this milestone with us by taking a look back at the developments in non-ambient XRD over the decades and to learn what is possible with the latest generation of non-ambient XRD attachments and powder X-ray diffractometers.

MS02 In situ and operando studies

Chairs:
Paul Attfield
Kamil Dziubek

Mantegna Room
13:30 – 15:30


13:30 – 14:00 Keynote1

Giorgia Confalonieri (Sapienza University of Rome, Italy)
“Revealing Intrusion and Extrusion Mechanisms of Electrolyte Aqueous Solutions in Heterogeneous  Lyophobic Systems via High-Pressure X-ray Powder Diffraction”.


14:00 – 14:30  Keynote2

Joshua Makepeace (Univ. of Birmingham, UK)
“Observing bulk transport of reactive species in ammonia synthesis catalyst composites”.


14:30 – 14:50 Oral1

L.S. Junkers – “Where pH dependency begins: Following the formation of bismuth molybdates using in situ X-ray total scattering”.


14:50 – 15:10 Oral2

P.W. Stephens – “Unusual phase transitions of the p-[C2(CN)4]22- dimer in tetramethylammonium tetracyanoethylene”.


15:10 – 15:30 Oral3

K. Yusenko – “Bulk High-Entropy Hydrides Accessed under High-Pressure High-Temperature”.

MS12 Quantitative analysis: state of the art and new perspectives

Chairs:
Gilberto Artioli
Alessandro Gualtieri

Carraresi Room
13:30 – 15:30


13:30 – 14:00 Keynote1

Giuseppe Cruciani (Univ. of Ferrara, Italy)
“Quantitative phase analysis as a tool to develop the circularity of construction and demolition waste”.


14:00 – 14:30 Keynote2

Ruben Snellings (Katholieke Univ. Leuven, Belgium)
“The use of quantitative phase analysis for the characterization of cementitious materials”


14:30 – 14:50 Oral1

M.A.P. Miljak – “Implementation of powder X-ray diffraction in Geant4”.


14:50 – 15:10 Oral2

S. Melzer – “Quantitative phase analysis of BOF slag: A challenge”.


15:10 – 15:30 Oral3

J. Fernandez-Sanchez – “Joint high-energy laboratory powder diffraction and microtomography for cement hydration studies”.


15:30 – 17:00

Coffee Break Software Fayre Poster Session (MS02, MS06, MS07, MS09, MS11, MS12) Carraresi Room – EPDIC Committee Meeting


17:00 – 17:30 Mantegna Room

Best Poster Awards


17:30 – 18:30 Mantegna Room

Plenary I. Halasz – “In situ powder X-ray diffraction and Raman spectroscopy for monitoring of ball-milling mechanochemistry”.


18:30 – 18:50 Mantegna Room

Lecture in memory of Samuel Johnston B. Cernik – “A combined synchrotron sub-micron X-ray diffraction-computed tomography (XRD-CT) study of radiation damage in a (Nb0.85, Zr0.15)4AlC3 supported by X-ray diffuse scattering and EBSD”.


19:30 Caffè Pedrocchi

Gala Dinner

Monday, September 2


8:30 – 9:30 Mantegna Room

Plenary
I. Margiolaki
– “The Protein Powder Diffraction Challenge”.


9:30 – 10:00

Coffee Break

MS07 Pharmaceutical and biological materials

Chairs:
Fabia Gozzo
Maria Spiliopoulou

Mantegna Room
10:00 – 12:00


10:00 – 10:30 Keynote1

Karen Robertson (Univ. of Nottingham, UK)
“Segmented flow crystallisation as a powerful non-invasive sampling tool for PXRD”.


10:30 – 11:00  Keynote2

Pedram Mehrabi (Univ. of Hamburg, Germany)
“Multidimensional serial synchrotron crystallography”.


11:00 – 11:15 Oral1

M. Reinle-Schmitt – “Exploring high-throughput synchrotron X-Ray powder diffraction for the characterization of pharmaceuticals”.


11:15 – 11:30 Oral2

F.F. Ferreira – “Crystal structure of melphalan hydrochloride and its association with caffeine”.


11:30 – 11:45 Oral3

K.D.M. Harris – “Exploiting multi-technique synergy in the structure determination of materials of pharmaceutical and biological relevance from powder X-ray diffraction data”.


11:45 – 12:00 Oral4

C. Papaefthymiou – “Structural response of the pharmaceutical peptide Octreotide upon controlled relative humidity and temperature variation”.

MS11 Artificial Intelligence for powder diffraction

Chairs:
Nicola Corriero
William D. Ratcliff

Carraresi Room
10:00 – 12:00


10:00 – 10:30 Keynote1

Niaz Abdolrahim (Univ. of Rochester, USA)
“AI Models for Dynamic Analysis of X-ray Diffraction Data”.


10:30 – 11:00  Keynote2

Simon Billinge (Columbia Univ., USA)
“AI at your service: AI as a tool for extracting more science, more easily from powder diffraction data”.


11:00 – 11:15 Oral1

T. Shibasaki – “Deep neural network application for phase identification in powder X-ray diffraction”.


11:15 – 11:30 Oral2

A. Kern – “Application of DL for phase identification and quantification – an assessment”.


11:30 – 11:45 Oral3

A.S. Anker – “Machine learning for analysis of pair distribution function data”.


11:45 – 12:00 Oral4

L. Allara – “Size classification of quantum dots via deep learning on reciprocal space total scattering data”.


12:00 – 13:30

Lunch
Software Fayre


12:30 – 13:15 Carraresi Room
Bruker Seminar

The D6 PHASER is the world’s first benchtop platform for X-ray powder diffraction in reflection and transmission geometry, thin film analysis by grazing incidence diffraction and reflectometry, and bulk sample stress and texture analysis. In this luncheon we will present new components for the D6 PHASER, significantly expanding its range of applications. Operation is further simplified and we are taking the next step towards “1 click applications”, from measurement to final data evaluation.
We will also discuss the crucial role of operando X-ray diffraction in advancing our understanding of energy storage systems. From planning and execution of cycling experiments to data visualization and batch analysis of large datasets, the D6 PHASER and D8 Diffractometer Families provide complete, fully integrated hard. and software solutions to help in the pursuit of innovative solutions for next-generation energy storage technologies.
Finally, we will briefly present our recent advances on GIWAXS and UWAXS capabilities of the D8 Diffractometer Families: GIWAXS is a key application in the investigation of the in-solution formation of organic lead halide perovskites, the material of the active layer material in thin film solar cells, while UWAXS allows to enhance the performance of polymers by linking crystallinity and degree of orientation to the mechanical properties.

MS04 Materials for energy conversion and storage

Chairs:
Gwenaelle Rousse
David S. Wragg

Mantegna Room
13:30 – 15:30


13:30 – 14:00 Keynote1

Claire Villevielle (Univ. Grenoble Alpes, France)
“Multiscale investigation of batteries using advanced operando techniques”.


14:00 – 14:30 Keynote2

Stefano Checchia (ESRF, France)
“Operando chemical-structural mapping in energy materials”.


14:30 – 14:50 Oral1

M. Malagutti – “Understanding the structure and stacking fault of Cu2+yZn1-ySnS4-xSex systems for thermoelectric applications”.


14:50 – 15:10 Oral2

M. Juelsholt – “Does trapped O2 form in LiNiO2 upon charging?”.


15:10 – 15:30 Oral3

H. Guo – “A Zn2+ substituted NaAlCl4 with enhanced sodium ionic conductivity for solid-state batteries”.

MS03 Structure and dynamics in disordered materials with total scattering methods

Chairs:
Martin Schmidt
Federica Bertolotti

Carraresi Room
13:30 – 15:30


13:30 – 14:00 Keynote1

David Keen (ISIS Facility,  UK)
“100 Years of the Total Scattering Method – from copper X-ray tubes to XFELs via neutrons and X-ray synchrotrons”.


14:00 – 14:30 Keynote2

Tatiana E. Gorelik (Helmholtz Centre for Infection Research, Germany)
“ePDF – PDF from electron diffraction data”.


14:30 – 14:50 Oral1

M. Saura-Múzquiz – “Phase transitions and disorder in complex oxides”.


14:50 – 15:10 Oral2

V. Petkov – “Recent progress in resonant (anomalous) total x-ay scattering experiments on disordered materials: case studies on multiferroics and charge density wave systems”.


15:10 – 15:30 Oral3

D. Bonavia – “Modulated excitation PDF characterization of supported Pt nanoparticles reconstruction in liquid phase”.


15:30 – 16:00

Coffee Break


16:00 – 17:00 Mantegna Room

Plenary
B.B. Iversen – “In situ and in operando X-ray scattering studies in materials chemistry”.


17:00 – 18:30

EPDIC18 Closing Ceremony

Young Scientist Award sponsored by PANalytical
M.W. Terban
– “Signatures of local structure in molecular systems”.

Presentation of the EPDIC19 Conference

Torna in alto

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