Combined study of phase transitions in the P2-type NaXNi1/3Mn2/3O2 cathode material: experimental, ab-initio and multiphase-field results
The research of new electrode materials such as sodium intercalation compounds is key to
meet the challenges of future demands of sustainable energy storage. For these batteries …
meet the challenges of future demands of sustainable energy storage. For these batteries …
Elucidating the complex interplay between thermodynamics, kinetics, and electrochemistry in battery electrodes through phase-field modeling
This article highlights applications of phase-field modeling to electrochemical systems, with
a focus on battery electrodes. We first provide an overview on the physical processes …
a focus on battery electrodes. We first provide an overview on the physical processes …
A cohesive phase-field fracture model for chemo-mechanical environments: Studies on degradation in battery materials
S Rezaei, JN Okoe-Amon, CA Varkey, A Asheri… - Theoretical and Applied …, 2023 - Elsevier
In the context of computational modeling of fracture in chemo-mechanical environments,
physically-sound and strong coupling between different fields is essential. Furthermore, our …
physically-sound and strong coupling between different fields is essential. Furthermore, our …
Thermodynamics of multi-sublattice battery active materials: from an extended regular solution theory to a phase-field model of LiMnyFe1-yPO4
Phase separation during the lithiation of redox-active materials is a critical factor affecting
battery performance, including energy density, charging rates, and cycle life. Accurate …
battery performance, including energy density, charging rates, and cycle life. Accurate …
Triple junction benchmark for multiphase-field and multi-order parameter models
Due to their ability to encompass complex multi-phase problems, multiphase-field and multi-
order parameter methods are increasing in popularity. Multiple model formulations and …
order parameter methods are increasing in popularity. Multiple model formulations and …
Phase‐Field Simulations of Epitaxial Crystal Growth in Open Fractures With Reactive Lateral Flow
Fluid flow in fracture porosity in the Earth's crust is in general accompanied by crystallization
or dissolution depending on the state of saturation. The evolution of the microstructure in …
or dissolution depending on the state of saturation. The evolution of the microstructure in …
Phase-field simulation for voltage profile of LixSn nanoparticle during lithiation/delithiation
Tin has become one of the most promising anode materials due to its large theoretical
capacity. The multi-phase transformations occurring during the (de-) lithiation process have …
capacity. The multi-phase transformations occurring during the (de-) lithiation process have …
A phase-field model for ferroelectric materials—Based on the multiphase-field method
A novel phase-field model is developed to investigate the domain structure in ferroelectric
materials subjected to an external field. Differing from the time-dependent Ginzburg–Landau …
materials subjected to an external field. Differing from the time-dependent Ginzburg–Landau …
Phase-field simulation of core-rim structure at the early sintering stage in TiC-WC-Ni cermet
Y Guan, Q Huang, Y Peng, X Liu, Y Kong, H Mao, Y Du - Calphad, 2024 - Elsevier
Understanding the formation mechanism of core-rim structure in TiC-based cermets is
essential for optimizing their mechanical properties, such as strength and toughness. In this …
essential for optimizing their mechanical properties, such as strength and toughness. In this …
Investigation of charge transfer models on the evolution of phases in lithium iron phosphate batteries using phase-field simulations
Charge transfer is essential for all electrochemical processes, such as in batteries where it is
facilitated through the incorporation of ion–electron pairs into solid crystals. The low …
facilitated through the incorporation of ion–electron pairs into solid crystals. The low …