Modeling precipitation kinetics for multi-phase and multi-component systems using particle size distributions via a moving grid technique

Autor: Bo Sundman, Jan Herrnring, Peter Staron, Benjamin Klusemann

Publikováno v: Herrnring, J, Sundman, B, Staron, P & Klusemann, B 2021, ' Modeling precipitation kinetics for multi-phase and multi-component systems using particle size distributions via a moving grid technique ', Acta Materialia, vol. 215, 117053 . https://doi.org/10.1016/j.actamat.2021.117053
Herrnring, J.; Sundman, B.; Staron, P.; Klusemann, B.: Modeling precipitation kinetics for multi-phase and multi-component systems using particle size distributions via a moving grid technique. In: Acta Materialia. Vol. 215 (2021) 117053. (DOI: /10.1016/j.actamat.2021.117053)

The collection and coupling of thermodynamic data following the Calphad framework is important for the computational alloy and process design. The microstructure and the precipitation kinetics have a significant influence on the microstructure and me

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http://www.scopus.com/inward/record.url?scp=85108661346&partnerID=8YFLogxK

Modeling the thermodynamics of the FeTi hydrogenation under para-equilibrium: an ab-initio and experimental study

Autor: Ebert Alvares, Paul Jerabek, Yuanyuan Shang, Archa Santhosh, Claudio Pistidda, Tae Wook Heo, Bo Sundman, Martin Dornheim

FeTi-based hydrides have recently re-attracted attention as stationary hydrogen storage materials due to favorable reversibility, good sorption kinetics and relatively low costs compared to alternative intermetallic hydrides. Employing the OpenCalpha

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Calphad Modeling of LRO and SRO Using ab initio Data

Autor: Marcel H. F. Sluiter, Masanori Enoki, Bo Sundman, Hiroshi Ohtani, Malin Selleby

Publikováno v: Metals
Volume 10
Issue 8
Metals, 10(8)
Metals, Vol 10, Iss 998, p 998 (2020)

Results from DFT calculations are in many cases equivalent to experimental data. They describe a set of properties of a phase at a well-defined composition and temperature, T, most often at 0 K. In order to be practically useful in materials design,

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Diffusion-driven microstructure evolution in OpenCalphad

Autor: Jan Herrnring, Bo Sundman, Benjamin Klusemann

Publikováno v: Herrnring, J.; Sundman, B.; Klusemann, B.: Diffusion-driven microstructure evolution in OpenCalphad. In: Computational Materials Science. Vol. 175 (2020) 109236. (DOI: /10.1016/j.commatsci.2019.109236)
Herrnring, J, Sundman, B & Klusemann, B 2020, ' Diffusion-driven microstructure evolution in OpenCalphad ', Computational Materials Science, vol. 175, 109236 . https://doi.org/10.1016/j.commatsci.2019.109236

The diffusion process in multicomponent alloys has a significant influence on the evolution of the microstructure. The Calphad approach is a powerful method for describing the equilibrium state as well as the kinetics of non-equilibrium systems via t

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https://publications.hereon.de/id/38331

A Review of Calphad Modeling of Ordered Phases

Autor: Bo Sundman, Qing Chen, Yong Du

Publikováno v: Journal of Phase Equilibria and Diffusion. 39:678-693

The models used in Calphad to describe long and short range ordering in multicomponent alloys have improved significantly over the last 20 years. For long range ordering the compound energy formalism has gained universal acceptance and it is now poss

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https://doi.org/10.1007/s11669-018-0671-y