Irradiation performance of high entropy ceramics: A comprehensive comparison with conventional ceramics and high entropy alloys
High entropy ceramics (HECs) are a novel class of ceramics that exhibit high melting point,
excellent high-temperature mechanical performance, and superb corrosion resistance …
excellent high-temperature mechanical performance, and superb corrosion resistance …
A critical review of the developments in molecular dynamics simulations to study femtosecond laser ablation
Laser-matter interaction is a complex physical process that has come to the forefront of
scientific research, particularly due to the advancements of laser technology and its wide …
scientific research, particularly due to the advancements of laser technology and its wide …
Electronic effects on the radiation damage in high-entropy alloys
High-entropy alloys (HEAs) are exceptional candidates for radiation-resistant materials due
to their complex local chemical environment and slow defect migration. Despite commonly …
to their complex local chemical environment and slow defect migration. Despite commonly …
Dynamic martensitic phase transformation in single-crystal silver microcubes
The ability to transform the crystal structure of metals in the solid state enables tailoring their
physical, mechanical, electrical, thermal, and optical properties in unprecedented ways. We …
physical, mechanical, electrical, thermal, and optical properties in unprecedented ways. We …
Dynamic recrystallization of Silver nanocubes during high-velocity impacts
We study microstructural evolution of Silver (Ag) single-crystal nanocubes during high-
velocity impacts, their dynamic recrystallization, and post-impact lattice structure using a …
velocity impacts, their dynamic recrystallization, and post-impact lattice structure using a …
Dynamic recrystallization in face-centered cubic particles during high-velocity impacts
In this work, dynamic recrystallization of nano-and micro-particles is investigated with high-
velocity impact simulations. Molecular dynamics simulations reveal that upon a critical …
velocity impact simulations. Molecular dynamics simulations reveal that upon a critical …
[HTML][HTML] Classical electronic and molecular dynamics simulation for optical response of metal system
A Yamada - The Journal of Chemical Physics, 2021 - pubs.aip.org
An extended molecular dynamics simulation that incorporates classical free electron
dynamics in the framework of the force-field model has been developed to enable us to …
dynamics in the framework of the force-field model has been developed to enable us to …
A multiscale and multiphysics framework to simulate radiation damage in nano-crystalline materials
This work presents a multiscale and multiphysics framework to investigate the radiation-
induced damage in nano-crystalline materials. The framework combines two methodologies …
induced damage in nano-crystalline materials. The framework combines two methodologies …
Computational Analyses of Plasmonics of a Silver Nanoparticle in a Vacuum and in a Water Solution by Classical Electronic and Molecular Dynamics Simulations
A Yamada - The Journal of Physical Chemistry A, 2022 - ACS Publications
We present basic optical responses of a silver nanoparticle (Ag309) in a vacuum and a
water solution obtained by classical electronic and molecular dynamics (CEMD) …
water solution obtained by classical electronic and molecular dynamics (CEMD) …
First principles reaction processes of Co (CO) 3NO as an atomic layer deposition precursor on SiO2 and Co surfaces
As devices continue to scale down in size, new patterning and deposition techniques are
growing in interest. Atomic layer deposition (ALD) has shown to have promising results in …
growing in interest. Atomic layer deposition (ALD) has shown to have promising results in …