Topic

M: Modelling and Simulation

Modeling and simulation methods play an increasingly important role in academic research as well as in industrial applications. This topic provides a platform for presenting and discussing the current developments in linking processing and microstructure evolution with thermodynamic, kinetic, functional, and mechanical properties of materials. Various methods for material modeling will be covered, with a special emphasis on scalebridging materials modeling. With metals, ceramics, semiconductors, glasses, polymers and composites, all classes of materials in both solid and liquid state will be covered, with a wide spectrum of applications as functional, lightweight and high-strength materials.

Topic Organizer

Prof. Dr. Britta Nestler
Karlsruhe University of Applied Sciences
Prof. Dr. Jörg Neugebauer
Max-Planck-Institut für Eisenforschung GmbH
Prof. Dr. Stefan Sandfeld
TU Bergakademie Freiberg


Lecture M04: Data-driven Modeling and Optimization of the Materials Properties-Structure-Process Chain
Data-efficient, simulation-based sample generation for the modelling of process-structure-property relations using machine learning

Lukas Morand Johannes Dornheim Tarek Iraki Prof. Dr. Norbert Link Dr. Dirk Helm

Lecture M04: Data-driven Modeling and Optimization of the Materials Properties-Structure-Process Chain
A Digitalized Machine Learning-Assisted Workflow to Study Microstructural Fatigue Damage Evolution and Crack Initiation

Ali Riza Durmaz Dr. Thomas Straub Prof. Dr. Chris Eberl

Lecture M16: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
A multiscale atomistic QM/MM approach for the investigation of phase boundaries in metallic alloys

Dipl.-Ing. Dominik Gehringer Dr. Liam Huber Prof. Dr. Jörg Neugebauer Dr. David Holec

Lecture M15: Plasticity across the scales – From microstructure changes to bulk mechanical behavior
A neural network potential for Magnesium and application to fracture

Dr.-Ing. Markus Stricker Eleanor Mak Dr. Binglun Yin Prof. Dr. W.A. Curtin

Lecture M01: Atomistic simulations of materials for energy
Ab initio based optimization of functional ferroelectrics

Prof. Dr. Anna Grünebohm Aris Dimou

Lecture M13: Interface and grain boundary phenomena in energy materials
Atomistic simulations of pore formation & evolution at Li metal | solid electrolyte interfaces

Lisette Haarmann Dr. Jochen Rohrer Prof. Dr. Karsten Albe

Lecture M13: Interface and grain boundary phenomena in energy materials
Changes at the Li Ion Battery‘s Solid Electrolyte Interphase: from Cradle to Grave

Prof. Dr. Ulrike Krewer Dr. Fridolin Röder Florian Baakes Marco Heinrich

Lecture M14: Phase-field modelling and simulation of microstructural evolutions in solid-state systems
Chemo-mechanical multiphase-field modeling: studies on formation of Widmanstätten ferrite and pearlite

Daniel Schneider Ephraim Schoof Dr. Prince Gideon Kubendran Amos Andreas Reiter Tobias Mittnacht Prof. Dr. Britta Nestler

Poster M15: Plasticity across the scales – From microstructure changes to bulk mechanical behavior
Compression of Nanoporous Au Nanopillars

Dr. Santhosh Mathesan Prof. DAN MORDEHAI

Poster M03: Computer Aided Reliability in Mechanical Engineering
Computer Aided Reliability by additive manufacturing of components with locally varied properties

Dr. Iliya Radulov Dr. Stefan Riegg Dr. Konstantin Skokov Lukas Schäfer Tobias Braun Prof. Dr. Oliver Gutfleisch

Lecture M03: Computer Aided Reliability in Mechanical Engineering
Computer aided detection of sensitive parameters in additive manufacturing

Sören Wenzel Dr. Elena Slomski-Vetter Prof. Dr. Tobias Melz

Lecture M02: Computational and experimental thermodynamics and kinetics of materials
DFT modeling of Raman spectra for binder components

Jakob Kraus Sebastian Schwalbe Simon Brehm Dr. Cameliu Himcinschi Prof. Dr. Jens Kortus

Lecture M03: Computer Aided Reliability in Mechanical Engineering
Data-driven modelling workflows for crack growth under complex loading scenarios

Dr.-Ing. Michael Krämer Dr. Christian Kontermann Prof. Dr. Matthias Oechsner

Lecture M04: Data-driven Modeling and Optimization of the Materials Properties-Structure-Process Chain
Data-driven prediction of structure-property relationships using bonded-particle model and artificial neural networks

Prof. Maksym Dosta Vasyl Skorych Tsz Tung Chan

Lecture M03: Computer Aided Reliability in Mechanical Engineering
Data-driven surrogate models for the acceleration of two-scale problems in mechanical engineering

Dr.-Ing. Mauricio Fernández Prof. Dr. Oliver Weeger Prof. Dr. Felix Fritzen Shahed Rezaei Dr. Jaber Rezaei Mianroodi Prof. Dr. Stefanie Reese

Lecture M06: Energy Materials Research Driven by Modelling and Simulation
Demonstration and optimization of Energy Harvesting with piezoelectrets in Aircraft-Structures subject to bending host structures

Hendrik Holzmann Maximilian Weber Heiko Atzrodt Dr. Athanasios Dafnis

Lecture M02: Computational and experimental thermodynamics and kinetics of materials
Determination of driving forces for nucleation at a plane Ni/NiAl interface with jumps in the chemical potential

Dr. Martin Seyring Dr. Stephanie Lippmann Prof. Dr. Markus Rettenmayr

Poster M15: Plasticity across the scales – From microstructure changes to bulk mechanical behavior
Effective mobility of BCC dislocations in two-dimensional discrete dislocation plasticity

Tarun Katiyar Prof. Dr. Erik van der Giessen

Lecture M04: Data-driven Modeling and Optimization of the Materials Properties-Structure-Process Chain
Efficient data structures for model-free data-driven computing

Robert Eggersmann Prof. Dr. Laurent Stainier Prof. Dr. Michael Ortiz Prof. Dr. Stefanie Reese

Lecture M12: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers
Electro-chemo-mechanical Modelling of Corrosion induced Material Damage

Dr. Daniel Höche Mohammad Reza Shariati Dr. Natalia Konchakova Zahid Mir Prof. Dr. Mikhail Zheludkevich Dr. Carsten Blawert Prof. Dr. Wolfgang Weber

Lecture M04: Data-driven Modeling and Optimization of the Materials Properties-Structure-Process Chain
Enabling intelligent Mg-sheet processing utilizing efficient ML-algorithm

Mohamadreza Shariati Dr. Daniel Höche Dr. Jan Bohlen Dr. Gerrit Kurz Dr. Dietmar Letzig Prof. Dr. Wolfgang Weber

Lecture M11: Microstructural changes in materials – experiments and modeling
Evolution of a generic two-dimensional grain structure as a model for grain growth in microalloyed steels

Prof. Ernst Gamsjäger Dr. Jiri Svoboda

Lecture M15: Plasticity across the scales – From microstructure changes to bulk mechanical behavior
Experimentally-informed versus idealized simulations of dislocation-precipitate interactions

Prof. Dr. Erik Bitzek Dr. Hao Lyu Andreas Kichmayer Andreas Förner Prof. Dr. Peter Felfer Dr. Steffen Neumeier

Lecture M14: Phase-field modelling and simulation of microstructural evolutions in solid-state systems
Frictionless motion of diffuse interfaces by sharp phase-field modeling

Dr. Michael Fleck Felix Schleifer Markus Holzinger Prof. Dr. Uwe Glatzel

Lecture M12: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers
Growth and ripening kinetics of γ'' precipitates in Nb containing nickel-base superalloys: Experimental investigation

Yueh-Yu Lin Felix Schleifer Dr. Michael Fleck Prof. Dr. Uwe Glatzel

Lecture M12: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers
Growth and ripening kinetics of γ′′ precipitates in Nb containing nickel-base superalloys: Phase-field modelling and simulation

Dr. Michael Fleck Felix Schleifer Markus Holzinger Yueh-Yu Lin Prof. Dr. Uwe Glatzel

Lecture M04: Data-driven Modeling and Optimization of the Materials Properties-Structure-Process Chain
Importance of performance assessment for machine learning models of entropy of all solid substances

Dr. Florian Tang Dr. Moritz to Baben

Lecture M03: Computer Aided Reliability in Mechanical Engineering
Influence of the miniaturization effect on lattice structures by means of PBF with AlSi10Mg

Dipl.-Ing. Guillaume Meyer Dr. Enrico Bruder Prof. Dr. Karsten Durst Prof. Dr. Christian Mittelstedt

Lecture M11: Microstructural changes in materials – experiments and modeling
Initial-grain-size dependency of high-temperature deformation behavior and microstructural change of AZ80Mg alloys

Prof. Dr. Hiromi Miura Hirotaka Tani Prof. Dr. Masakazu Kobayashi

Lecture M02: Computational and experimental thermodynamics and kinetics of materials
Machine learning phase data for exploratory Calphad Assessments

Dr. Moritz to Baben Florian Tang Caglayan Aras

Lecture M12: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers
Modeling bainitic transformations during press hardening - Press Bain

Carina Zimmermann Dr. Martin Hunkel Prof. Dr. Robert Spatschek Prof. Dr. Ulrich Prahl Mingxuan Lin

Lecture M15: Plasticity across the scales – From microstructure changes to bulk mechanical behavior
Molecular dynamics study of shock waves in iron: On the role of plasticity

Prof. Dr. Nina Gunkelmann Hoang-Thien Luu Prof. Dr. Ramon Ravelo Martin Rudolph Prof. Dr. Eduardo Bringa Timothy Germann David Rafaja

Lecture M14: Phase-field modelling and simulation of microstructural evolutions in solid-state systems
Numerical investigation of intermetallic compounds’ evolution during solid-state joining of dissimilar materials via two multiphase-field approaches

Syed Hasan Raza Tobias Mittnacht Ephraim Schoof Dr. Daniel Schneider Prof. Dr. Britta Nestler Prof. Dr. Benjamin Klusemann

Lecture M02: Computational and experimental thermodynamics and kinetics of materials
Phase transformations of structural related phases in the Nb–Cu–Sn system and insights in the corresponding phase diagram

Dipl.-Ing. Jonas Lachmann Prof. Dr. Andreas Leineweber Nicolas Huber

Lecture M13: Interface and grain boundary phenomena in energy materials
Phase-field modeling on sodium ion batteries particles of NaxFePO4

Dr. Tao Zhang Prof. Dr. Marc Kamlah

Lecture M14: Phase-field modelling and simulation of microstructural evolutions in solid-state systems
Phase-field simulation of the effects of system and process parameters on rotational solidification in the ternary eutectic Bi-In-Sn system

Kaveh Dargahi Noubary Michael Kellner Dr. Johannes Hötzer Prof. Dr. Britta Nestler

Lecture M07: Integrated Computational Materials Engineering (ICME)
Prediction of process induced microstructure evolution, transformation plasticity and residual stresses in steel reinforcing bars

Christoph Wölfle Dr. Christian Krempaszky Prof. Dr. Ewald Werner

Lecture M04: Data-driven Modeling and Optimization of the Materials Properties-Structure-Process Chain
Simulation of Spinning Processes with Experimental Validation

Stefan Hermanns Dr. Walter Arne

Lecture M08: Interfaces in Advanced Materials
Structural stability and mechanical anisotropy of Ti(Si,V)N/SiNx interfaces

Ganesh Kumar Nayak Dr. JAKUB ZÁLEŠÁK Dr. David Holec Dr. Rostislav Daniel

Lecture M01: Atomistic simulations of materials for energy
Tailored machine learning potentials for the in silico design of zeolites

Dr. Andreas Erlebach Dr. Christopher J. Heard Prof. Dr. Petr Nachtigall Dr. Lukáš Grajciar

Lecture M07: Integrated Computational Materials Engineering (ICME)
The OpenPhase framework simulating microstructure evolution during materials processing and service

Prof. Dr. Ingo Steinbach Dr. Johannes Goerler Dr. Oleg Shchyglo

Poster M06: Energy Materials Research Driven by Modelling and Simulation
Thermal emission of colloid-based plasmonic structures for radiative cooling

Kishin Matsumori Prof. Dr. Markus Retsch

Lecture M09: Materials Genome Engineering
Thermodynamic Genome for Materials Informatics

Dr. Moritz to Baben Florian Tang Caglayan Aras Klaus Hack

Lecture M02: Computational and experimental thermodynamics and kinetics of materials
Thermodynamic calculations explaining the stability of high-pressure ω phase in the Ti-rich part of the binary Ti–Fe system

Dr.-Ing. Mario J. Kriegel Dr. Askar R. Kilmametov Dr. Olga Fabrichnaya Prof. Dr. Boris B. Straumal Dr. Julia Ivanisenko Prof. Dr. David Rafaja

Lecture M03: Computer Aided Reliability in Mechanical Engineering
Towards component series production in laser powder bed fusion by melt pool control

Alexander Großmann Holger Merschroth Julian Felger Guillaume Meyer Prof. Dr. Matthias Weigold Prof. Dr. Peter Pelz Prof. Dr. Christian Mittelstedt

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