Melting and freezing of metal clusters

A Aguado, MF Jarrold - Annual Review of Physical Chemistry, 2011 - annualreviews.org
Recent developments allow heat capacities to be measured for size-selected clusters
isolated in the gas phase. For clusters with tens to hundreds of atoms, the heat capacities …

[图书][B] Structure and properties of atomic nanoclusters

JA Alonso - 2012 - books.google.com
Atomic clusters are aggregates of atoms containing a few to several thousand atoms. Due to
the small size of these pieces of matter, the properties of atomic clusters in general are …

Nanoclusters and nanoalloys of group 13 elements (B, Al, and Ga): benchmarking of methods and analysis of their structures and energies

M Khatun, P Sarkar, S Panda, LT Sherpa… - Physical Chemistry …, 2023 - pubs.rsc.org
We investigated the structural and energetic properties of nanoclusters and nanoalloys
composed of group 13 elements (B, Al, and Ga) up to a cluster size of 12. We conducted a …

Cluster melting: new, limiting, and liminal phenomena

N Gaston - Advances in Physics: X, 2018 - Taylor & Francis
The thermodynamic behaviour of clusters and nanoscale structures is both a challenge to
the statistical basis of the theory, and of paramount importance to experiment. In this review …

A molecular dynamics study of collisional heat transfer to nanoclusters in the gas phase

H Yang, G Song, CJ Hogan Jr - Journal of Aerosol Science, 2022 - Elsevier
Nanoclusters in the gas phase grow by condensation and coagulation, which heat up
nanoclusters, creating thermal non-equilibrium with the surrounding gas. The extent of non …

[HTML][HTML] Excess thermal energy and latent heat in nanocluster collisional growth

H Yang, Y Drossinos, CJ Hogan - The Journal of Chemical Physics, 2019 - pubs.aip.org
Nanoclusters can form and grow by nanocluster-monomer collisions (condensation) and
nanocluster-nanocluster collisions (coagulation). During growth, product nanoclusters have …

Quantum Monte Carlo study of small aluminum clusters Al (–13)

L Cândido, JNT Rabelo, JLF Da Silva, GQ Hai - Physical Review B …, 2012 - APS
Using fixed node diffusion quantum Monte Carlo (FN-DMC) simulations and density
functional theory (DFT) within the generalized gradient approximations, we calculate the …

Activation of dinitrogen by solid and liquid aluminum nanoclusters: a combined experimental and theoretical study

B Cao, AK Starace, OH Judd… - Journal of the …, 2010 - ACS Publications
Cross sections for chemisorption of N2 onto Al44+/− cluster ions have been measured as a
function of relative kinetic energy and the temperature of the metal cluster. There is a kinetic …

Melting of size-selected gallium clusters with 60–183 atoms

KL Pyfer, JO Kafader, A Yalamanchali… - The Journal of …, 2014 - ACS Publications
Heat capacities have been measured as a function of temperature for size-selected gallium
cluster cations with between 60 and 183 atoms. Almost all clusters studied show a single …

Understanding melting behavior of aluminum clusters using machine learned deep neural network potential energy surfaces

A Kumar, BJ Nagare, R Sharma… - The Journal of Chemical …, 2024 - pubs.aip.org
Deep neural network-based deep potentials (DP), developed by Tuo et al., have been used
to compute the thermodynamic properties of free aluminum clusters with accuracy close to …