[HTML][HTML] Modeling the mechanical properties of nanoparticles: a review

J Amodeo, L Pizzagalli - Comptes …, 2021 - comptes-rendus.academie-sciences …
Nanoparticles are commonly used in various fields of applications such as electronics,
catalysis or engineering where they can be subjected to a certain amount of stress leading …

A review of computational modeling techniques in study and design of shape memory ceramics

MA Zaeem, N Zhang, M Mamivand - Computational Materials Science, 2019 - Elsevier
Shape memory ceramics are a unique family of shape memory materials with a wide variety
of applications, such as ultra-high energy dissipation and high-temperature actuation. Along …

[HTML][HTML] Features of ceramic nanoparticle deformation in aerosol deposition explored by molecular dynamics simulation

B Daneshian, F Gärtner, H Assadi, MV Vidaller… - Surface and Coatings …, 2022 - Elsevier
The deformation and bonding of particles in Aerosol Deposition (AD) is a topic of growing
technological interest for solid-state coating and additive manufacturing with ceramic …

Size effects of brittle particles in aerosol deposition—molecular dynamics simulation

B Daneshian, F Gaertner, H Assadi, D Hoeche… - Journal of Thermal …, 2021 - Springer
Up to now, the role of particle sizes on the impact behavior of ceramic particles in aerosol
deposition not yet fully understood. Hence, with the aim to supply a more general …

Uniaxial compression of silicon nanoparticles: an atomistic study on the shape and size effects

D Kilymis, C Gérard, J Amodeo, UV Waghmare… - Acta Materialia, 2018 - Elsevier
Molecular dynamics simulations were carried out to investigate the mechanical properties of
silicon nanoparticles during uniaxial compression by a flat-punch indenter. We considered a …

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 …

Multiscale computational modeling techniques in study and design of 2D materials: recent advances, challenges, and opportunities

MA Zaeem, S Thomas, S Kavousi, N Zhang… - 2D …, 2024 - iopscience.iop.org
This article provides an overview of recent advances, challenges, and opportunities in
multiscale computational modeling techniques for study and design of two-dimensional (2D) …

Nanoscale self-healing mechanisms in shape memory ceramics

N Zhang, M Asle Zaeem - npj Computational Materials, 2019 - nature.com
Shape memory ceramics, such as yttria-stabilized tetragonal zirconia (YSTZ), offer unique
properties including ultra-high operating temperatures and high resistance to oxidation …

Mechanical properties obtained by indentation of hollow pd nanoparticles

FJ Valencia, RI González, H Vega… - The Journal of …, 2018 - ACS Publications
Palladium nanoparticles are technologically important for catalysis, hydrogen storage, and
many other applications. Here, we investigate the mechanical properties of Pd hollow …