Structural properties of nanoclusters: Energetic, thermodynamic, and kinetic effects

F Baletto, R Ferrando - Reviews of modern physics, 2005 - APS
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 …

Structure shape and stability of nanometric sized particles

MJ Yacamán, JA Ascencio, HB Liu… - Journal of Vacuum …, 2001 - pubs.aip.org
Nanoparticles are a state of matter that has properties different from either molecules or bulk
solids. In the present work, we review the shape and structure of nanometer-sized particles; …

Tight-binding potentials for transition metals and alloys

F Cleri, V Rosato - Physical Review B, 1993 - APS
The parameters of many-body potentials for fcc and hcp transition metals, based on the
second-moment approximation of a tight-binding Hamiltonian, have been systematically …

Thermodynamical and structural properties of fcc transition metals using a simple tight-binding model

V Rosato, M Guillope, B Legrand - Philosophical Magazine A, 1989 - Taylor & Francis
A semi-empirical model to simulate thermodynamic properties of fcc transition metals is
proposed. The attractive energy is derived within a second-moment approximation of the …

Embedded-atom potential for Fe and its application to self-diffusion on Fe (1 0 0)

H Chamati, NI Papanicolaou, Y Mishin… - Surface Science, 2006 - Elsevier
We have constructed an embedded-atom potential for Fe by fitting to both experimental and
first-principles results. The potential reproduces with satisfactory accuracy the lattice …

Molecular dynamics simulation of a solid platinum nanowire under uniaxial tensile strain: Temperature and strain-rate effects

SJA Koh, HP Lee, C Lu, QH Cheng - Physical Review B—Condensed Matter …, 2005 - APS
Nanoscale research has been an area of active research over the past fifteen years. This is
due to the overall enhanced properties of nanomaterials due to size effects, surface effects …

Extended Finnis–Sinclair potential for bcc and fcc metals and alloys

XD Dai, Y Kong, JH Li, BX Liu - Journal of Physics: Condensed …, 2006 - iopscience.iop.org
We propose an extended Finnis–Sinclair (FS) potential by extending the repulsive term into
a sextic polynomial for enhancing the repulsive interaction and adding a quartic term to …

Irradiation induced amorphization in metallic multilayers and calculation of glass-forming ability from atomistic potential in the binary metal systems

BX Liu, WS Lai, Q Zhang - Materials Science and Engineering: R: Reports, 2000 - Elsevier
This review attempts to present first a brief summary of the up-to-date experimental studies
on amorphization transition, which results in the formation of amorphous alloys or metallic …

Size-, shape-, and composition-dependent model for metal nanoparticle stability prediction

Z Yan, MG Taylor, A Mascareno, G Mpourmpakis - Nano letters, 2018 - ACS Publications
Although tremendous applications for metal nanoparticles have been found in modern
technologies, the understanding of their stability as related to morphology (size and shape) …

Alloy surfaces: segregation, reconstruction and phase transitions

G Tréglia, B Legrand, F Ducastelle, A Saúl… - Computational materials …, 1999 - Elsevier
Surface segregation in alloys, ie, concentration modulation in the surface selvedge at
thermodynamical equilibrium, can be viewed as resulting from two kinds of competition or …