Computational modeling of nanoparticle coalescence

P Grammatikopoulos, M Sowwan… - Advanced Theory and …, 2019 - Wiley Online Library
The coalescence of nanoclusters fabricated in the gas phase is a fundamental growth
mechanism determining cluster shapes, sizes, compositions, and structures, with resultant …

General trends in core–shell preferences for bimetallic nanoparticles

N Eom, ME Messing, J Johansson, K Deppert - ACS nano, 2021 - ACS Publications
Surface segregation phenomena dictate core–shell preference of bimetallic nanoparticles
and thus play a crucial role in the nanoparticle synthesis and applications. Although it is …

An overview into advantages and applications of conventional and unconventional hydro (solvo) thermal approaches for novel advanced materials design

M de Conti, S Dey, WE Pottker, FA La Porta - Materials Today Sustainability, 2023 - Elsevier
The hydro (solvo) thermal approaches due to their simplicity and relatively low cost have
attracted great attention to novel advanced materials processing with controlled particle …

Direct observation of three-dimensional atomic structure of twinned metallic nanoparticles and their catalytic properties

J Lee, C Jeong, T Lee, S Ryu, Y Yang - Nano Letters, 2022 - ACS Publications
We determined a full 3D atomic structure of a dumbbell-shaped Pt nanoparticle formed by a
coalescence of two nanoclusters using deep learning assisted atomic electron tomography …

Kinetic trap** through coalescence and the formation of patterned Ag–Cu nanoparticles

P Grammatikopoulos, J Kioseoglou, A Galea… - Nanoscale, 2016 - pubs.rsc.org
In recent years, due to its inherent flexibility, magnetron-sputtering has been widely used to
synthesise bi-metallic nanoparticles (NPs) via subsequent inert-gas cooling and gas-phase …

Simulation and experimental study of the multisized silver nanoparticles sintering process based on molecular dynamics

M Gu, T Liu, X **ao, G Li, W Liao - Nanomaterials, 2022 - mdpi.com
Multisized nanoparticles (MPs) are widely employed as electronic materials to form
conductive patterns, benefitting from their excellent sintering properties and mechanical …

Investigation on sintering processes and mechanical properties of Ti–Ta alloys by molecular dynamics simulation.

C Liu, X Zhu, X Li, Q Shi - Powder Technology, 2022 - Elsevier
The aim of this work was to introduce an EAM potential function to describe the sintering
kinetics of Ti–Ta alloys by molecular dynamics simulation to understanding the dynamics …

Molecular dynamics investigation of gold nanoparticle coalescence under realistic gas-phase synthesis conditions

P Grammatikopoulos, E Toulkeridou - Journal of Aerosol Science, 2024 - Elsevier
Dependence of nanoparticle (NP) coalescence on various physical parameters (eg,
temperature, number of NPs, NP size, orientation, crystallinity, shape, or composition, etc.) is …

Coalescence-induced crystallisation wave in Pd nanoparticles

P Grammatikopoulos, C Cassidy, V Singh… - Scientific reports, 2014 - nature.com
Palladium nanoparticles offer an attractive alternative to bulk palladium for catalysis,
hydrogen storage and gas sensing applications. Their performance depends strongly on …

[HTML][HTML] Thermal kinetic and mechanical behaviors of pressure-assisted Cu nanoparticles sintering: A molecular dynamics study

D Hu, Z Cui, J Fan, X Fan, G Zhang - Results in Physics, 2020 - Elsevier
A molecular dynamics (MD) simulation was performed on the coalescence kinetics and
mechanical behavior of the pressure-assisted Cu nanoparticles (NPs) sintering at low …