Grain boundary stiffness based on phase field crystal simulations

Kevin Hult Blixt; Håkan Hallberg

doi:10.1016/j.matlet.2022.132178

Grain boundary stiffness based on phase field crystal simulations

Kevin Hult Blixt, Håkan Hallberg

Solid Mechanics

Research output: Contribution to journal › Article › peer-review

Abstract

Phase field crystal modeling with wavelet filtering is shown to be an attractive replacement for molecular dynamics simulations when evaluating grain boundary stiffness by the capillary fluctuation method. Obstacles such as iterative equilibration of grain boundary structures and repeated reconstruction of the grain boundary over extended simulations can be avoided.

Original language	English
Article number	132178
Journal	Materials Letters
Volume	318
DOIs	https://doi.org/10.1016/j.matlet.2022.132178
Publication status	Published - 2022 Jul

Subject classification (UKÄ)

Applied Mechanics

Free keywords

Grain boundaries
Grain boundary energy
Grain boundary stiffness
Modeling
Simulation

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1016/j.matlet.2022.132178

Phase Field Crystal Modeling of Microstructure Mechanics
Hallberg, H. (Supervisor) & Blixt, K. (Research student)
Swedish Research Council
2020/11/02 → 2025/12/31
Project: Research

Cite this

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title = "Grain boundary stiffness based on phase field crystal simulations",

abstract = "Phase field crystal modeling with wavelet filtering is shown to be an attractive replacement for molecular dynamics simulations when evaluating grain boundary stiffness by the capillary fluctuation method. Obstacles such as iterative equilibration of grain boundary structures and repeated reconstruction of the grain boundary over extended simulations can be avoided.",

keywords = "Grain boundaries, Grain boundary energy, Grain boundary stiffness, Modeling, Simulation",

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AB - Phase field crystal modeling with wavelet filtering is shown to be an attractive replacement for molecular dynamics simulations when evaluating grain boundary stiffness by the capillary fluctuation method. Obstacles such as iterative equilibration of grain boundary structures and repeated reconstruction of the grain boundary over extended simulations can be avoided.

KW - Grain boundaries

KW - Grain boundary energy

KW - Grain boundary stiffness

KW - Modeling

KW - Simulation

U2 - 10.1016/j.matlet.2022.132178

DO - 10.1016/j.matlet.2022.132178

M3 - Article

AN - SCOPUS:85127296592

SN - 0167-577X

VL - 318

JO - Materials Letters

JF - Materials Letters

M1 - 132178

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Grain boundary stiffness based on phase field crystal simulations

Abstract

Subject classification (UKÄ)

Free keywords

UN SDGs

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Projects

Phase Field Crystal Modeling of Microstructure Mechanics

Cite this