A non-isothermal phase-field crystal model with lattice expansion: Analysis and benchmarks

Publikation: Beitrag in FachzeitschriftForschungsartikelBeigetragenBegutachtung

Abstract

We introduce a non-isothermal phase-field crystal model including heat flux and thermal expansion of the crystal lattice. The fundamental thermodynamic relation between internal energy and entropy, as well as entropy production, is derived analytically and further verified by numerical benchmark simulations. Furthermore, we examine how the different model parameters control density and temperature evolution during dendritic solidification through extensive parameter studies. Finally, we extend our framework to the modeling of open systems considering external mass and heat fluxes. This work sets the ground for a comprehensive mesoscale model of non-isothermal solidification including thermal expansion within an entropy-producing framework, and provides a benchmark for further meso- to macroscopic modeling of solidification.

Details

OriginalspracheEnglisch
Aufsatznummer025007
Seitenumfang16
FachzeitschriftModelling and simulation in materials science and engineering
Jahrgang33 (2025)
Ausgabenummer2
Frühes Online-Datum22 Jan. 2025
PublikationsstatusVeröffentlicht - 15 März 2025
Peer-Review-StatusJa

Externe IDs

unpaywall 10.1088/1361-651x/ada784
Scopus 85217088243

Schlagworte