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 …
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 …
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
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 …
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 …
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 …
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
Nanoclusters can form and grow by nanocluster-monomer collisions (condensation) and
nanocluster-nanocluster collisions (coagulation). During growth, product nanoclusters have …
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 …
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 …
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 …
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 …
to compute the thermodynamic properties of free aluminum clusters with accuracy close to …