The structural properties of free nanoclusters are reviewed. Special attention is paid to the
interplay of energetic, thermodynamic, and kinetic factors in the explanation of cluster …

Molecular dynamics simulations are performed to determine the melting points of aluminum
nanoparticles of 55− 1000 atoms with the Streitz− Mintmire [Phys. Rev. B 1994, 50, 11996] …

Molecular dynamics simulations are used to study the liquid-state properties and melting of
1-ethyl-3-methylimidazolium hexafluorosphosphate [emim][PF 6] using the force field of …

The behavior of the excess entropy of Morse and Lennard-Jones liquids is examined as a
function of temperature, density, and the structural order metrics. The dominant pair …

We study the thermodynamics and the properties of the stationary points (saddles and
minima) of the potential energy for a ϕ 4 mean-field model. We compare the critical energy …

Clusters, as aggregates of atoms or molecules that range in size from two to tens of
thousands of monomer units, can be viewed as an intermediate state of matter between …

Liquid Lennard-Jones clusters of 14 different sizes from N= 55 to 923 particles were cooled
down to find their temperature of liquid-solid transition and the internal structure of the …

The study of metallic clusters is of common interest to academic and industrial communities.
To the academic community, the very fact that metallic clusters lying in between on one …

Nanoparticles which are aggregates of about 10–106 atoms or molecules have diameters
ranging for 1–100 nm, have been the subject of much study in recent years. 1, 2 Theoretical …

Using the Voter and Chen version of an embedded atom model, derived by fitting
simultaneously to experimental data of both the diatomic molecule and bulk platinum, we …