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Akio Ishii

The University of Osaka

1-1 Yamadaoka

Suita

Osaka, 565-0871

Japan

  • The University of Osaka

SCHOLARLY PAPERS

13

DOWNLOADS

571

TOTAL CITATIONS

8

Scholarly Papers (13)

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1.

Quantitative Analysis of Hydrogen Absorption in Pure Aluminum: Theoretical and Experimental Approaches

This paper was accepted for the Publication in Materialia. 
please cite 10.1016/j.mtla.2025.102449
Number of pages: 35 Posted: 28 Mar 2025 Last Revised: 11 Jun 2025
Akio Ishii and Keitaro Horikawa
The University of Osaka and The University of Osaka - Department of Mechanical Science and Bioengineering
Downloads 86 (765,566)

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Hydrogen, pure Al, Density Functional Theory, multiscale simulation, surface friction in water

2.

Nucleation Kinetics of the β′′ Precipitate in Dilute Mg–Y Alloys: A Kinetic Monte Carlo Study

Number of pages: 6 Posted: 05 Nov 2021
Heting Liao, Hajime Kimizuka, Akio Ishii and Shigenobu Ogata
The University of Osaka, Nagoya University - Department of Materials Design Innovation Engineering, The University of Osaka and The University of Osaka - Department of Mechanical Science and Bioengineering
Downloads 74 (844,901)
Citation 3

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Precipitation, Simulation, Magnesium alloys, Density functional theory (DFT), Kinetic Monte Carlo simulations

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Ni-Al alloy, Rafting, atomistic simulation, Density Functional Theory, Micromechanics

4.

Ab Initio Stability Prediction of β Titanium and α and ω Precipitates in β Titanium Matrix for Titanium Alloys Using Density Functional Theory and Micromechanics

This manuscript was accepted for the publication of Materials today communications. Please cite https://doi.org/10.1016/j.mtcomm.2023.107708
Number of pages: 26 Posted: 04 Oct 2023 Last Revised: 29 Dec 2023
Akio Ishii
The University of Osaka
Downloads 55 (1,020,567)

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Titanium alloys, Eshelby's ellipsoidal inclusion, Atomistic simulation, Density functional theory

5.

Calculation of the Ti-Mo Phase Diagram using Density Functional Theory and Crystal Symmetry

Computational Materials Science, volume 267, 2026[10.1016/j.commatsci.2026.114594]
Number of pages: 45 Posted: 22 Dec 2025 Last Revised: 20 Feb 2026
Yukinari Ikeda and Akio Ishii
The University of Osaka and The University of Osaka
Downloads 52 (1,052,702)

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Phase Diagram, Entropy, Cluster Variation Method, Group Theory, Density Functional Theory

6.

Energetical Effects of the Edges and Vertices of Face-centered-cubic Pd and Au Nanoparticles: a Density Functional Theory Study

This article has already been published in the journal, computational materials science. As a reference, please cite https://doi.org/10.1016/j.commatsci.2024.113122.
Number of pages: 20 Posted: 16 Apr 2024 Last Revised: 31 May 2024
Akio Ishii
The University of Osaka
Downloads 49 (1,074,648)

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Nanoparticle,atomistic simulation,density functional theory

7.

Parameter-free multiscale analysis of hydrogen solubility in Pd nano films under hydrogen gas using density functional theory

Journal of Applied Physics, volume 137, issue 6, 2025[10.1063/5.0249635]
Number of pages: 26 Posted: 08 Jan 2025 Last Revised: 26 Feb 2025
Akio Ishii and Nobutomo Nakamura
The University of Osaka and Osaka University
Downloads 34 (1,263,436)

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Density functional theory, Nanomaterial, Atomistic simulation

8.

Edge-and vertex-originated differences between nanoparticles and nanovoids: A density functional theory study of face-centered-cubic Al

This paper was accepted to appear in Computational Materials Science 246 (2025) 113342.
Please cite https://doi.org/10.1016/j.commatsci.2024.113342 as reference.
Number of pages: 15 Posted: 26 Aug 2024
Akio Ishii
The University of Osaka
Downloads 29 (1,332,057)
Citation 1

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Nanoparticle, nanovoid, atomistic simulation, density functional theory

9.

Elastic anisotropy affects the shape of the bubble in the solid materials

This article was accepted for the publication of AIP advances. Please https://pubs.aip.org/aip/adv/article/13/12/125024/2931670/Influence-of-elastic-anisotropy-on-the-shapes-of
Number of pages: 17 Posted: 04 Oct 2023 Last Revised: 29 Dec 2023
Akio Ishii
The University of Osaka
Downloads 28 (1,359,097)

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Micromechanics

10.

Continuum model for interacting faults: emergence of main fault and Gutenberg-Richter's law

Number of pages: 18 Posted: 06 May 2025
Akio Ishii
The University of Osaka
Downloads 26 (1,372,601)

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11.

Morphology Prediction of Elastically Interacting Zr Hydride Precipitates and Cracks in Α- Zr Using Atomistically Informed Eshelby’s Ellipsoidal Inclusion

This paper was accepted by computational materials science Please cite https://doi.org/10.1016/j.commatsci.2023.112568
Number of pages: 22 Posted: 04 Oct 2023 Last Revised: 25 Oct 2023
Akio Ishii
The University of Osaka
Downloads 25 (1,399,036)
Citation 3

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Zirconium alloys, Cracking, Eshelby's ellipsoidal inclusion, Atomistic simulation, Density functional theory

12.

Effect of Purity on the Internal Morphology of Blisters on Aluminum Surfaces

This paper was accepted by results in materials Please cite https://doi.org/10.1016/j.rinma.2023.100522.
Number of pages: 14 Posted: 24 Nov 2023 Last Revised: 15 Apr 2024
Keitaro Horikawa and Akio Ishii
The University of Osaka and The University of Osaka
Downloads 22 (1,424,331)
Citation 1

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hydrogen, blistering, aluminum, purity, heat treatment, modeling

13.

Negative Strain–Rate Sensitivity in Metallic Glasses Driven by Rejuvenation–Relaxation Competition: Kinetic Monte Carlo Simulations and a Minimal Effective Model

Number of pages: 15 Posted: 17 Feb 2026
Tomoaki Niiyama, Akio Ishii, Takahiro Hatano, Tomotsugu Shimokawa and Shigenobu Ogata
Kanazawa University, The University of Osaka, The University of Osaka, Kanazawa University and The University of Osaka - Department of Mechanical Science and Bioengineering
Downloads 21 (1,436,435)

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Metallic Glass, Strain-rate sensitivity, Monte Carlo simulation