Symposium

M02: Computational and experimental thermodynamics and kinetics of materials

Belongs to:
TopicM: Modelling and Simulation

This symposium focuses on fundamental aspects of the thermodynamics of materials and the kinetics of microstructure evolution associated with non-equilibrium states, phase transformations and defects. Experimental and computational approaches comprise, but are not limited to: CALPHAD-type modeling, First-principle and Monte-Carlo methods, Phase Field approaches, experimental phase diagram investigations (materials constitution), experimental thermodynamics and kinetics. Materials of interest are metals and ceramics, respectively. However, applications referring to composites, soft matter and biological materials are welcome to explore synergetic approaches. Also theory and applications of thermodynamics and kinetics for “materials behavior in engineering systems”, e.g. for energy storage and conversion, are welcome.


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

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

Poster M02: Computational and experimental thermodynamics and kinetics of materials
WEB Screening Solubility-Enhancing Coformers in Amorphous Solid Dispersions: a Group Contribution based Miscibility Method

Milad Asgarpour Khansary Dr. Gavin Walker Dr. Saeed Shirazian

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

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 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 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 M02: Computational and experimental thermodynamics and kinetics of materials
Thermodynamic database for the Ni-Al-Cr-Mo-O system

Prof. Dr. Hans Jürgen Seifert Golnar Geramifard Dr. Peter Franke

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