[HTML][HTML] Morphology prediction of elastically interacting Zr hydride precipitates and cracks in α-Zr using atomistically informed Eshelby's ellipsoidal inclusion

A Ishii - Computational Materials Science, 2024 - Elsevier
We propose an atomistically informed Eshelby's inclusion analysis to investigate the
morphology of secondary phases, which elastically interacted with each other through their …

[HTML][HTML] Elastic investigation for the existence of B33 phase in TiNi shape memory alloys using atomistically informed Eshelby's ellipsoidal inclusion

A Ishii - Computational Materials Science, 2023 - Elsevier
The existence of the B33 phase in TiNi alloys, which was reported to be a stable phase
using density functional theory calculations but not confirmed experimentally, is …

Ab initio prediction of temperature-dependent stability of heterogeneous B19′ phase in TiNi alloy using atomistically informed Eshelby's ellipsoidal inclusion

A Ishii - Materials Today Communications, 2023 - Elsevier
In this study, we energetically predicted the temperature-dependent stability of the
heterogeneous B19′ phase in the B2 matrix of TiNi alloys using density functional theory …

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

A Ishii - Computational Materials Science, 2025 - Elsevier
The differences between nanoparticles and nanovoids cannot be clearly distinguished
energetically using conventional comparisons based on the surface energies of these …

[HTML][HTML] Influence of elastic anisotropy on the shapes of ellipsoidal blisters and stress field around the blisters in solid materials

A Ishii - AIP Advances, 2023 - pubs.aip.org
To address the embrittlement challenges posed by gas blisters in anisotropic materials, the
stable shape of constant-pressure blisters in anisotropic materials (hexagonal, tetragonal …

[HTML][HTML] Energetical effects of the edges and vertices of face-centered-cubic Pd and Au nanoparticles: A density functional theory study

A Ishii - Computational Materials Science, 2024 - Elsevier
The properties of nanoparticles depend on their sizes, and these size effects in face-
centered-cubic (FCC) nanoparticles are attributed to the edge and vertex effects. However …

[HTML][HTML] Strain-field calculation based on X-ray CT images via point matching of impurities using Voronoi diagram

A Ishii, K Horikawa, M Hoshino, K Uesugi - Materialia, 2024 - Elsevier
We propose an approach for calculating the strain field inside materials using X-ray
computed tomography (CT) images obtained during deformation tests. Our approach is …

[HTML][HTML] Activation energy of homogeneous nucleation of Zr hydride: Density functional theory calculation

A Ishii - Computational Materials Science, 2022 - Elsevier
Considering the nucleation process of Zr hydrides as phase transformation from hexagonal
closed-packed (HCP) to face-centered tetragonal (FCT) structure, we calculated the …

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

A Ishii - Materials Today Communications, 2024 - Elsevier
Abstract β titanium alloys have a wide range of applications, including in aerospace and
transport. The β phase is stable only at high temperatures, and the phase stability can be …

[HTML][HTML] Effect of purity on the internal morphology of blisters on aluminum surfaces

K Horikawa, A Ishii - Results in Materials, 2024 - Elsevier
This study investigates the effect of purity of aluminum on the morphology of blisters formed
on aluminum plates. To this end, aluminum samples with 99% and 99.99% purities are …