Dislocation plasticity in c-axis nanopillar compression of wurtzite ceramics: A study using neural network potentials

Zhang, Shihao; Ogata, Shigenobu

Journal of the American Ceramic Society, 2025, e20406

Number of Access:310（2025-11-07 13:11 Counts）

Identifier to cite or link to this item: https://hdl.handle.net/11094/100546

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Title
Dislocation plasticity in c-axis nanopillar compression of wurtzite ceramics: A study using neural network potentials
Creator
NRID
1000001004895 1000001004895
ORCID
0000-0001-9233-5163 0000-0001-9233-5163
Scopus Author ID
57221298993 57221298993
CreatorName
Zhang, Shihao
NRID
1000020273584 1000020273584
ORCID
0000-0002-9072-4496 0000-0002-9072-4496
researchmap permalink
read0185246 read0185246
Scopus Author ID
7201796489 7201796489
CreatorName
Ogata, Shigenobu
Subject
dislocation plasticity
nanopillar
neural network potential
phase transformation
semiconductor
Description
Zhang S., Ogata S. Dislocation plasticity in c-axis nanopillar compression of wurtzite ceramics: A study using neural network potentials. Journal of the American Ceramic Society, (2025); https://doi.org/10.1111/jace.20406.
Abstract
Ceramics typically exhibit brittle characteristics at room temperature. However, under high compressive stress conditions, such as during nanoindentation or compression tests on nanopillars, these materials can reach the necessary shear stress for dislocation nucleation and glide before fracture occurs. This allows for the observation of plastic deformation through dislocations even at room temperature. Yet, detailed insights into their atomic-scale dislocation plasticity remain scarce. This study employs atomistic simulations to explore the dislocation plasticity in (Formula presented.) -oriented nanopillars of wurtzite ceramics (i.e., GaN and ZnO) under uniaxial [0001] compression, utilizing a specially developed first-principles neural network interatomic potential. We observed activation of (Formula presented.) and (Formula presented.) dislocations, corroborating experimental findings from in-situ compression tests. Moreover, a wurtzite-to-hexagonal phase transformation begins at facet edges and extends inward, forming wedge-shaped regions. As compression progresses, dislocations nucleate at the wurtzite-hexagonal phase boundary and spread throughout the nanopillar, contributing to a rougher surface texture. These quantitative results offer new insights into the plastic deformation behaviors of nanopillars under compressive loading, highlighting the potential of dislocation engineering in these ceramics.
Publisher
John Wiley and Sons Inc
Source Title
Journal of the American Ceramic Society
Page
e20406
Date of Issued
2025-02-04
Language
English
Handle URL
https://hdl.handle.net/11094/100546
PISSN
00027820
eISSN
15512916
Relation.isIdenticalTo
DOI (Publisher Version)
https://doi.org/10.1111/jace.20406
Access Rights
open access
CopyRight
This article is licensed under a Creative Commons Attribution 4.0 International License.
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Category
学術雑誌論文 Journal Article