Irradiation performance of high entropy ceramics: A comprehensive comparison with conventional ceramics and high entropy alloys

S Huang, J Zhang, H Fu, Y Xiong, S Ma, X Xiang… - Progress in Materials …, 2024 - Elsevier
High entropy ceramics (HECs) are a novel class of ceramics that exhibit high melting point,
excellent high-temperature mechanical performance, and superb corrosion resistance …

A critical review of the developments in molecular dynamics simulations to study femtosecond laser ablation

G Parris, S Goel, DT Nguyen, J Buckeridge… - Materials Today …, 2022 - Elsevier
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 …

Electronic effects on the radiation damage in high-entropy alloys

OK Orhan, M Hendy, M Ponga - Acta materialia, 2023 - Elsevier
High-entropy alloys (HEAs) are exceptional candidates for radiation-resistant materials due
to their complex local chemical environment and slow defect migration. Despite commonly …

Dynamic martensitic phase transformation in single-crystal silver microcubes

R Thevamaran, C Griesbach, S Yazdi, M Ponga… - Acta Materialia, 2020 - Elsevier
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 …

Dynamic recrystallization of Silver nanocubes during high-velocity impacts

DF Rojas, OK Orhan, M Ponga - Acta Materialia, 2021 - Elsevier
We study microstructural evolution of Silver (Ag) single-crystal nanocubes during high-
velocity impacts, their dynamic recrystallization, and post-impact lattice structure using a …

Dynamic recrystallization in face-centered cubic particles during high-velocity impacts

DF Rojas, M Isiet, M Ponga - Mechanics of Materials, 2022 - Elsevier
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 …

[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 …

A multiscale and multiphysics framework to simulate radiation damage in nano-crystalline materials

M Hendy, M Ponga - Journal of Nuclear Materials, 2023 - Elsevier
This work presents a multiscale and multiphysics framework to investigate the radiation-
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) …

First principles reaction processes of Co (CO) 3NO as an atomic layer deposition precursor on SiO2 and Co surfaces

NM Ashburn, X Lang, Y Jo, Y Lee, X Yao… - Journal of Vacuum …, 2024 - pubs.aip.org
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 …