PROGRAMME

Microsymposia

Total scattering studies and disorder

Chairs:

Emil Božin
Gavin Vaughan

 

June 16 10:00 - 12:00

Hall Šibenik II

Total scattering and associated pair distribution function (PDF) analysis constitute a powerful methodology for local structure studies. The strength of the approach stems from its utilization, on an equal basis, of both the Bragg and diffuse scattering signals to create a model-free histogram of interatomic distances. The PDF has no presumption of periodicity, making it ideal for studying structure of any class of material, and on a hierarchy of length-scales. The methodology can thus be routinely applied to diverse material classes from molecular systems, liquids, solutions, glasses, nanocrystalline,  nanoporous and bulk crystalline materials with heterogeneities. This symposium will emphasize in particular novel and emerging approaches in total scattering data acquisition and analysis that expand the horizons of applicability of this potent method to such areas as studies of thin films, textured materials, local magnetism, and works under in-situ and operando conditions and in complex sample environments.

Structural biology and pharmaceutical materials

Chairs:

Irene Margiolaki
Fabia Gozzo

 

June 16 10:00 -12:00

Hall Šibenik XI

The crystal structure of pharmaceuticals and biological macromolecular compounds by unveiling the details of their intra- and inter-molecular interactions and their physicochemical properties eventually offers the key for understanding their mechanism of action. X-ray powder diffraction (XRPD), traditionally confined to crystal structure identification only due to the intrinsic higher complexity of powder data analysis and interpretation has proved how a powerful tool it can instead be for ab-initio structure solution,identification of macromolecular phase transitions, quantitative analysis in drug substances and products. This MS covers XRPD applications and recent improvements related to the study of complex organic compounds from drug screening to structure-based drug design. This session merges recent studies in the field of drug formulation and delivery processes, as well as polymorph identification and the effect of ligands and environmental conditions upon crystal characteristics. 

Rational design of materials for energy conversion and storage

Chairs:

Gwenaëlle Rousse
Radovan Cerny

June 16 13:30 -15:30

Hall Šibenik II

Powder diffraction plays an important role in the studies of materials for energy storage and conversion thanks to its capacity to perform in-situ and operando type of measurement. Understanding structural behavior including phase transitions, reactions and decomposition of the materials exposed to the working conditions helps designing new materials with desired properties. The invited and selected talks will cover materials for batteries, catalysis, gas capture, photovoltaics, thermoelectricity etc.

Line profile analysis 
Chairs:
Milan Dopita 
Andreas Leineweber 


June 16 13:30 -15:30
Hall Šibenik XI

Since its discovery and development during the last century the diffraction line profile analysis (LPA) acts as one of most utilized
method for determination of real structure of polycrystalline materials. LPA allows separating and determining the size and strain
contributions of the diffraction peak broadening, to estimate the types and frequencies of lattice defects. Many method exist, starting from Scherrer, through Williamson-Hall and Warren-Averbach methods till whole powder pattern modelling or fitting procedures. LPA methods were in past successfully adopted for real structure parameters determination in whole variety of materials starting from bulk materials, metals, severely deformed materials, ultrafine-grained materials, coatings, metallic foams and powders to recently widely studied nanomaterials. This MS will be focused on the news and progress in the LPA methodology, correlation of the LPA results with other complementary methods and to the real structure of materials determination using the line profile analysis.

Functional materials: structure and properties

Chairs:

Jasminka Popović

Tomče Runčevski

June 17 10:00 - 12:00

Hall Šibenik II

Functional materials can defined as compounds which exhibit responses against external stimuli. This MS will focus on structure-properties interplay in variuos electronic, optical, magnetic and thermosalient materials, in particular sensors and actuators, high performance semiconductors, high efficiency luminescent materials for energy saving, separation and adsorption materials for reduced material and energy consumption, and biological glue and artificial bones for regenerative medicine.

Stress-strain, texture and thin film analysis​

Chairs:

David Rafaja 

Kenneth R. Beyerlein ​

June 17 10:00 - 12:00

Hall Šibenik XI

The physical properties of thin film materials are strongly influenced by microstructural features including lattice strain, texture, defect density and interfacial structure. This MS will cover recent efforts in materials structure-property engineering and cutting-edge characterization methodologies.

Non ambient in-situ and in-operando studies
Chairs:
Paul Attfield
Robert Dinnebier


June 17 13:30 - 15:30
Hall Šibenik II

Progress in structure solution and refinement

Chairs:

Angela Altomare

Kenneth Shankland ​​

 

June 17 13:00 - 15:30

Hall Šibenik XI

In recent years, the number of new crystal structures that have been solved and refined from powder diffraction data, and subsequently deposited in structural databases, has been steadily increasing. MS08 aims to cover the relevant advances in theory, experimental / computational methodology, and software for powder structure solution / refinement that have underpinned this increase. The application of these advances to particularly challenging crystal structures will be a key element

Nanomaterials: Structural, microstructural and surface aspects

Chairs:

Paolo Scardi
Antonella Guagliardi

June 18 10:00 -12:00

Hall Šibenik II

Nanomaterials form a distinct class compared to their massive counterparts, not only for the peculiar properties deriving from quantum and surface effects, but for the structural and microstructural aspects, which require specific analytical tools and procedures. This is particularly evident for the diffraction techniques discussed in this microsymposium, dedicated to XRD investigation methodologies with examples of applications.

Magnetic structures and neutron scattering​​

Chairs:

Gwilherm Nenert

María Teresa Fernández-Díaz

​​

June 18 10:00 -12:00

Hall Šibenik XI

Utilization of complementary techniques for structural studies and imaging​

Chairs:

Bob Cernik

Michela Brunelli

June 18 13:30 -15:30

Hall Šibenik II

Technical advances in instrumentation, such as intense X-ray beams, high efficiency and energy sensitive detectors, with combined ancillary probes, have made powder diffraction a unique tool for spatially and time resolved physico-chemical investigations on complex systems of interest in materials chemistry and environmental science. In addition, these methods allow us to create full 3D reconstructed images from crystallographic phase or spectroscopic information.This is because powder diffraction can couple flexible sample environments with complementary techniques (i.e., fluorescence or absorption spectroscopy/phase contrast or colour tomography) and simultaneous ancillary probes (Mass Spectrometry, Raman or InfraRed Spectrometry) for studying solid state structural processes in realistic environments. Example would include the study of catalysis; battery and fuel cells, cement and cementitious materials and engineered stains in fabricated components all on the relevant time scale to the underlying processes. This micro-symposium will emphasize novel and emerging developments in these fields for structure analysis and imaging.

Advances in powder diffraction instrumentation  at large facilities

Chairs:

Ivan Halasz
Simon Kimber

June 18 13:30 -15:30

Hall Šibenik XI

Next generation x-ray and neutron sources are rapidly changing powder diffraction. Increased flux, reduced source sizes and improved detectors have driven significant progress in spatially resolved, in-situ and parametric studies. This MS will highlight scientific discoveries using powder methods, and place them in the context of the new European facilities coming on stream in 2020 and beyond.

#RemainResponsible

SPONSORS@EPDIC17

MP_Spectris_logo_RGB (002).jpg
ap_positiv.jpg
ICDD-logo_blue-01.png
Rigaku_logo and slogan_Ver1CS4_2015.05.1
STOE_Logo_570x280px_rgb.png
logo nur HUBER_300dpi.jpg
dectris_blau_ohne_R_detecting the future
Crystal_Impact_Logo.jpg
iucr_grey.png
eca-ico.png
pmf_logo_word(1).jpg
IRB.png
t-com.png

IUCr Scientific Freedom Policy Statement

The Organizing Committee of the European Powder Diffraction Conference (EPDIC17) shall observe the basic policy of non-discrimination and affirms the right and freedom of scientists to associate in international scientific activity without regard to such factors as ethnic origin, religion, citizenship, language, political stance, gender, sex or age, in accordance with the Statutes of the International Council for Science.

At this Conference, no barriers will exist which would prevent the participation of bona fide scientists.

Statement on Gender Balance at EPDIC17
The EPDIC17 Organizing Committee, (which itself is composed according to the gender balance policy) fully supports and promotes gender equality in accordance to the IUCr principle:

https://www.iucr.org/iucr/principles-and-policies/gender-balance

We will enforce and ensure the gender equality among our lecturers and participants, and we will pay a special attention to the gender balance in evaluating bursary applications.

HUKlogo_bijela_slova.png
Picture2.png

© by Croatian Association of Crystallographers. Design by Buha & Žbago 2018.