Atomistic simulations of the elastic compression of platinum nanoparticles
The elastic behavior of nanoparticles depends strongly on particle shape, size, and
crystallographic orientation. Many prior investigations have characterized the elastic …
crystallographic orientation. Many prior investigations have characterized the elastic …
Simulations of plasticity in diamond nanoparticles showing ultrahigh strength
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 …
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
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 …
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 …
the submicron scale. However, what happens at dimensions such as a few tens of …
Platinum nanoparticle compression: Combining in situ TEM and atomistic modeling
The mechanical behavior of nanoparticles governs their performance and stability in many
applications. However, the small sizes of technologically relevant nanoparticles, with …
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
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 …
used for its advanced mechanical properties. Nowadays, it requires a more in-depth …
Soft or Hard? investigating the deformation mechanisms of au–pd and Pd nanocubes under compression: an experimental and molecular dynamics study
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 …
nanostructures, the idea of tuning the strength through composition is appealing because of …
[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 …
could potentially be addressed by metal oxide nanoparticles (NPs). However, there is still no …
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 …
compression tests using finite temperature first principles molecular dynamics calculations …
Influence of surface roughness on the deformation of gold nanoparticles under compression
The influence of surface roughness on the mechanics of faceted gold nanoparticles under
compression is investigated using molecular dynamics simulations. Results show an …
compression is investigated using molecular dynamics simulations. Results show an …