[HTML][HTML] Atomistic insights into nanoindentation-induced deformation of α-Al2O3 single crystals

Q Xu, A Zaborowska, K Mulewska, W Huo, K Karimi… - Vacuum, 2024 - Elsevier
The plastic deformability of brittle ceramics, eg, Al 2 O 3, at a small scale can expand their
potential structural applications. In this work, we propose to investigate the nanomechanics …

High speed impact and solid-state deposition of alumina particles: A molecular dynamics study

S Rahmati, RGA Veiga, J Mostaghimi, T Coyle… - Journal of the European …, 2024 - Elsevier
This study provides an atomic-scale description of the high-velocity impact of α-Al 2 O 3
particles onto an α-Al 2 O 3 substrate, with a focus on unraveling the material behavior …

On the influence of temperature on the 1/2< 110> screw dislocation core in uranium dioxide

JE Suchorski, A Pivano, J Amodeo - Acta Materialia, 2025 - Elsevier
Understanding the fundamental processes of plastic deformation in uranium dioxide (main
nuclear fuel) is critical to predict the structural integrity of nuclear reactors under off-normal …

Utilizing Wyckoff Sites to Construct Machine-Learning-Driven Interatomic Potentials for Crystalline Materials: A Case Study on α-Alumina

C Rodríguez-Martínez, T Schwedek… - The Journal of …, 2024 - ACS Publications
We present a methodology leveraging machine learning models to generate interatomic
potentials for crystalline materials. This approach is rooted in the material's crystallography …

Sintering of alumina nanoparticles: comparison of interatomic potentials, molecular dynamics simulations, and data analysis

S Roy, A Prakash, S Sandfeld - Modelling and Simulation in …, 2022 - iopscience.iop.org
Sintering of alumina nanoparticles is of interest both from the view of fundamental research
as well as for industrial applications. Atomistic simulations are tailor-made for understanding …

High-temperature behavior of amorphous alumina coatings: Insights from in-situ nanoindentation and X-ray diffraction studies

A Zaborowska, M Zieliński, Q Xu, E Wyszkowska… - Ceramics …, 2025 - Elsevier
Further development of nuclear power plant technology relies heavily on materials' durability
under operating conditions. Estimating the materials' performance in the operando tests is …

First-Principles Investigation of the Shear Properties and Sliding Characteristics of c-ZrO2 (001)/α-Al2O3 (1 1¯ 02) Interfaces

Z Bao, F Shang - Applied Sciences, 2022 - mdpi.com
The ideal mechanical shear properties and sliding characteristics of c-ZrO2 (001)/α-Al2O3 (1
1¯ 02) interfaces are examined through simulated shear deformations using first-principles …

Nanoindentation and deformation behaviors of α α‐Al 2 O 3 \rmAl_2\rmO_3: A molecular dynamic study

Q Xu, I Goda, Y Zhang… - Journal of the American …, 2025 - Wiley Online Library
Studying the nanoindentation behavior of materials at the atomic level is crucial for
advancing technologies involving energetic atom bombardment, ion implantation, and …

Tunable deformation design of porous Al2O3 based on the Direct FE2 method

A Zhao, K Liu, P Li, Y Cui - Modelling and Simulation in Materials …, 2024 - iopscience.iop.org
The tunable deformation design of porous ceramics has raised many interests in many
engineering and manufacturing fields, where its corresponding design methodologies still …

Atomistic simulation of α‐Al2O3 nanoparticle plastic anisotropy under compression

Q Xu, J Chevalier, J Amodeo - Journal of the American Ceramic …, 2023 - Wiley Online Library
Abstract Alumina (α‐Al2O3) is one of the major ceramic oxides commonly used for its
advanced mechanical properties. Since recently, nanoscale α‐Al2O3 requires more in …