SIG-14 D3 brings together scientists working on dynamical properties, disorder and diffuse scattering.
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Scope and Objectives
SIG D3 brings together scientists working on dynamical properties, disorder and diffuse scattering. The main objectives are to enhance the exchange of information regarding recent progress in experiment and theory, to provide a platform for discussions, to promote use of diffraction and crystallographic tools in studying the physics and chemistry of materials which display some kind of disorder.
SIG D3 aims at achieving a coherent understanding of the various contributions to Bragg and diffuse scattering related to disorder phenomena. The disorder is taken here in a broad sense and includes structural imperfections present at different time and length scales, varying from domain walls to compositional fluctuations and fundamental excitations in non-ideal crystals. We note that this field has experienced a significant revival thanks to the advent of bright synchrotron and neutron sources, the development of new detectors, and the availability of powerful computing tools. SIG D3 also focuses on experimental techniques to probe disorder and dynamical response, and on the processing and presentation of big data sets associated with the study of diffuse scattering. SIG D3 also aims at generating a pool of software and experimental facilities best suited for studies of dynamics and disorder phenomena.
At present, the following topics play an important role in the field:
- Diffuse scattering associated with fundamental excitations
- Atomic displacement parameters and lattice dynamics
- Ab-initio calculations of lattice dynamics and thermal diffuse scattering
- Occupational, displacive, and orientational disorder in crystals
- Correlation analysis of diffuse scattering
- Extracting 3D pair distribution functions from diffuse scattering
- Direct space modeling of disordered systems with Monte Carlo and other techniques
- Disorder in photonic crystals
- Magnetic diffuse scattering
- Dynamics and disorder at extreme conditions
- Excited state crystallography
- Inelastic X-ray and neutron scattering
- Diffuse scattering in powder diffraction
- Macromolecular diffuse scattering and dynamics of proteins
Anders Østergaard Madsen
Department of Pharmacy, University of Copenhagen
Department of Quantum Matter Physics, University of Geneva
Department of Chemistry, University of Oxford.
Faculty of Chemistry, University of Warsaw
Swiss-Norwegian Beam Lines at European Synchrotron Radiation Facility