Atomistic simulations of the elastic compression of platinum nanoparticles

IM Padilla Espinosa, TDB Jacobs, A Martini - Nanoscale research letters, 2022 - Springer
The elastic behavior of nanoparticles depends strongly on particle shape, size, and
crystallographic orientation. Many prior investigations have characterized the elastic …

Simulations of plasticity in diamond nanoparticles showing ultrahigh strength

GG Vidable, RI Gonzalez, FJ Valencia, N Amigo… - Diamond and Related …, 2022 - Elsevier
We use molecular dynamics (MD) simulations to deform single crystal spherical carbon
nanoparticles (NP), 4–45 nm diameter, with a hard, flat indenter, compressing along the …

Plasticity in diamond nanoparticles: dislocations and amorphization during loading and dislocation multiplication during unloading

F Aquistapace, D Castillo-Castro, RI González… - Journal of Materials …, 2024 - Springer
This work focuses on the mechanical response of cubic-diamond nanoparticles of several
sizes when subjected to a planar indenter. Three sequential stages were considered, ie …

Ultrahigh Strength and Plasticity Mechanisms of Si and SiC Nanoparticles Revealed by First-Principles Molecular Dynamics

L Pizzagalli, J Godet - Physical Review Letters, 2023 - APS
It is now well established that materials are stronger when their dimensions are reduced to
the submicron scale. However, what happens at dimensions such as a few tens of …

[HTML][HTML] Platinum nanoparticle compression: Combining in situ TEM and atomistic modeling

IM Padilla Espinosa, S Azadehranjbar, R Ding… - Applied Physics …, 2022 - pubs.aip.org
The mechanical behavior of nanoparticles governs their performance and stability in many
applications. However, the small sizes of technologically relevant nanoparticles, with …

Atomistic simulation and interatomic potential comparison in α-Al2O3: lattice, surface and extended-defects properties

Q Xu, N Salles, J Chevalier… - Modelling and Simulation …, 2022 - iopscience.iop.org
Aluminum oxide (α-Al 2 O 3) is known as one of the major ceramic oxide and is currently
used for its advanced mechanical properties. Nowadays, it requires a more in-depth …

[HTML][HTML] Antibacterial size effect of ZnO nanoparticles and their role as additives in emulsion waterborne paint

I El-Habib, H Maatouk, A Lemarchand, S Dine… - Journal of Functional …, 2024 - mdpi.com
Nosocomial infections, a prevalent issue in intensive care units due to antibiotic overuse,
could potentially be addressed by metal oxide nanoparticles (NPs). However, there is still no …

Soft or Hard? investigating the deformation mechanisms of au–pd and Pd nanocubes under compression: an experimental and molecular dynamics study

JA de la Rosa Abad, A Londoño-Calderon… - The Journal of …, 2021 - ACS Publications
In the search for new mechanisms to improve and control the mechanical properties of
nanostructures, the idea of tuning the strength through composition is appealing because of …

First principles molecular dynamics calculations of the mechanical properties of endofullerenes containing noble gas atoms or small molecules

L Pizzagalli - Physical Chemistry Chemical Physics, 2022 - pubs.rsc.org
The mechanical properties of endofullerenes have been investigated by performing
compression tests using finite temperature first principles molecular dynamics calculations …

Influence of surface roughness on the deformation of gold nanoparticles under compression

H Iteney, TW Cornelius, O Thomas, J Amodeo - Acta Materialia, 2024 - Elsevier
The influence of surface roughness on the mechanics of Au-faceted nanoparticles under
compression is investigated using molecular dynamics simulations. Results show an …