DPG Meeting of the Condensed Matter Section in Dresden on March, 26-31, 2023

The Metal and Material Physics Division (MM) invites to submit abstracts (https://www.dpg-tagung.de/skm23/submission.html) for contributed talks or posters addressing the following MM topics:

  • Development of computational methods
  • Data driven material science: big data and workflows
  • Materials for storage and conversion of energy (Experiment and Theory) 
  • Hydrogen in materials (Experiment and Theory)
  • Functional materials: performance, reliability and degradation (Experiment and Theory)
  • Phase transformations (Experiment and Theory)
  • Interface controlled properties and Nanomaterials (Experiment and Theory)
  • Liquid and amorphous materials (Experiment and Theory)
  • Mechanical properties and alloy design: e.g. light-weight, high-temperature, multi-component materials (Experiment and Theory)
  • Transport in materials: diffusion, conduction of charge or heat (Experiment and Theory)

Invited Speakers of the MM division

  • Prof. Dr. Christian Liebscher (MPI Düsseldorf, Germany)
  • Prof. Dr. Chad Sinclair (UBC Vancouver, Canada)
  • Prof. Dr. Erica Lilleodden (Fraunhofer Institut IMWS, Halle, Germany) 
  • Dr. Afrooz Barnoush (Curtin Corrosion Center, Doha, Qatar)
  • Jun.Prof. Nina Merkert (TU Clausthal, Germany)
  • Prof. Dr. Jannick Champion (Université Grenoble Alpes, Grenoble, France)

MM Topical Session: Thermodynamics and Kinetics of Defect Phases

In modern nanostructured metals and alloys, the structure and composition, as well as of the mechanical and kinetic behaviour of defects dominate the material’s response to external stimuli. This symposium is focused on the recent progress and existing challenges in understanding the thermodynamics and kinetics of defect phases / complexions, including the key mechanisms underlying their transitions. This will explicitly include (but is not limited to) topics such as segregation energetics and kinetics; grain boundary corrosion and solute enhanced decohesion; thermodynamics of dislocations and triple junctions; as well as grain boundary – defect interactions. Furthermore, we would like to reflect the state of the art in the theoretical and experimental analysis as well as modelling of interface structures, interface diffusion and their evolution.

We welcome contributions (oral or as poster) on atomistic, micro- and multiscale simulations of defect dominated microstructures, their experimental characterisation, thermodynamic and micromechanical models of interfacial effects as well as investigations that address the impact of defect phases on materials performance and defect engineering.

 

Invited topical speakers

  • Prof. Christopher Schuh (Massachusetts Institute of Technology, MA, USA)
  • Prof. Jörg Neugebauer (Max-Planck-Institut für Eisenforschung, Düsseldorf, Germany)
  • Prof. Sandra Korte-Kerzel (RWTH Aachen, Germany)
  • Dr. Reza Darvishi Kamachali  (BAM, Berlin, Germany)
  • Prof. Pavel Lejcek (Institute of Physics, Academy of Sciences of the Czech Republic, Czech Republic)

Organisers

  • Tilmann Hickel, MPI für Eisenforschung Düsseldorf,
  • Sergiy Divinski, University of Münster,  

MM Topical Session: Fundamentals of Fracture

Fracture is a complex multi-scale, multi-physics phenomenon and a fundamental, mechanism-based understanding is needed to disentangle the underlying, interacting processes. With this topical session we aim at connecting specialists from the fields of solid-state physics, materials science, continuum mechanics, statistical physics and mathematics to cover theory, numerical modeling and experiments related to: Initiation of fracture and early stage of crack propagation;  Environment-assisted cracking; Grain boundary fracture and interface cracks; Crack propagation in heterogeneous media; Interplay of fracture and plasticity; Fracture of nanostructured and disordered materials; Mesoscale, micromechanical and local approaches to fracture; Linking experimental and computational fracture analysis; Machine learning aided fracture analysis.

Invited topical speakers

  • Prof. Yinan Cui (Tsinghua University, China)
  • Dr. Thomas Edwards (EMPA, Switzerland)
  • Prof. Jay Fineberg (The Hebrew University of Jerusalem, Israel)
  • Dr. Marc Fivel (University of Grenoble, France)
  • Prof. Lorenz Romaner (Montan Universität Leoben, Austria)
  • Prof. James Kermode (University of Warwick, United Kingdom)

Organisers

  • Rebecca Janisch, Ruhr-Universität Bochum, Germany,
  • Erik Bitzek, MPI Düsseldorf, Germany,
  • Daniel Kiener, Montanuniversität Leoben, Österreich, 

MM Hands-on tutorial on workflows for materials science simulations

Advanced computational simulations in materials science have reached a maturity that allows one to accurately describe and predict materials properties and processes. The underlying simulation tasks often involve several different models and software that requires expert knowledge to set up a project and to vary input parameters. The accompanying increasing complexity of simulation protocols means that the workflow along the simulation chain becomes an integral part of research. Effective workflow management therefore is important for efficient research and transparent and reproducible results.

In this hands-on tutorial we will provide an interactive hands-on introduction into managing workflows with pyiron (www.pyiron.org). Pyiron is an integrated development environment for materials science built on python and Jupyter notebooks that may be used for a wide variety of simulation tasks, from rapid prototyping to high performance computing. The tutorial will first give a general introduction to using pyiron, with a focus on atomistic simulation tasks. In the second part of the tutorial, the training and validation of ace-machine learning potentials from reference density functional calculations will provide a real-life application example.

Organisers

  • Jörg Neugebauer, Max-Planck-Institut für Eisenforschung, Düsseldorf, Germany
  • Tilmann Hickel, Max-Planck-Institut für Eisenforschung, Düsseldorf, Germany
  • Ralf Drautz, ICAMS, Ruhr-Universität Bochum, Germany