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 …

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 trapping 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 …

Construction of inorganic bulks through coalescence of particle precursors

Z Mu, R Tang, Z Liu - Nanomaterials, 2021 - mdpi.com
Bulk inorganic materials play important roles in human society, and their construction is
commonly achieved by the coalescence of inorganic nano-or micro-sized particles …

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 …

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 …

Geometrical effects on sintering dynamics of Cu–Ag core–shell nanoparticles

J Wang, S Shin, A Hu - The Journal of Physical Chemistry C, 2016 - ACS Publications
Understanding of the nanoparticle (NP) sintering mechanism at the atomic scale is of
significance for improving various NP applications, such as printable nanoinks, catalysts …

Molecular dynamics simulations of aggregation of copper nanoparticles with different heating rates

Q Li, M Wang, Y Liang, L Lin, T Fu, P Wei… - Physica E: Low …, 2017 - Elsevier
Molecular dynamics simulations were employed to investigate the heating rates' effect on
aggregation of two copper nanoparticles. The aggregation can be distinguished into three …

Approach and coalescence of gold nanoparticles driven by surface thermodynamic fluctuations and atomic interaction forces

J Wang, S Chen, K Cui, D Li, D Chen - ACS nano, 2016 - ACS Publications
The approach and coalescence behavior of gold nanoparticles on a silicon surface were
investigated by experiments and molecular dynamics simulations. By analyzing the behavior …