Structural properties of nanoclusters: Energetic, thermodynamic, and kinetic effects
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 …
interplay of energetic, thermodynamic, and kinetic factors in the explanation of cluster …
Polytetrahedral order in condensed matter
DR Nelson, F Spaepen - Solid State Physics, 1989 - Elsevier
Publisher Summary This chapter reviews the experimental and simulation evidence for
polytetrahedral order in small clusters, liquids, glasses, and periodic or quasiperiodic …
polytetrahedral order in small clusters, liquids, glasses, and periodic or quasiperiodic …
Energy landscapes
DJ Wales - Atomic clusters and nanoparticles. Agregats atomiques …, 2002 - Springer
This overview of energy landscapes will focus on some rigorous properties of potential
energy surfaces (PES's), especially the symmetry properties of steepest-descent paths, and …
energy surfaces (PES's), especially the symmetry properties of steepest-descent paths, and …
Crystal nucleation in liquids and glasses
KF Kelton - Solid state physics, 1991 - Elsevier
Publisher Summary This chapter focuses on measurements and theories pertaining to
homogeneous nucleation under cooled liquids and glasses that transform to phases of the …
homogeneous nucleation under cooled liquids and glasses that transform to phases of the …
Statistical thermodynamics of the cluster solid-liquid transition
P Labastie, RL Whetten - Physical review letters, 1990 - APS
A direct connection between the solid-liquid transition in atomic clusters and the
macroscopic phase transition is established through analysis of the size scaling of the latent …
macroscopic phase transition is established through analysis of the size scaling of the latent …
Fluctuation, relaxations, and hydration in liquid water. Hydrogen-bond rearrangement dynamics
I Ohmine, H Tanaka - Chemical reviews, 1993 - ACS Publications
Water is the most ubiquitous substance on Earth, and it is known to have anomalous
macroscopic and microscopic properties. 1'2 A decrease of viscosity with pressure, a large …
macroscopic and microscopic properties. 1'2 A decrease of viscosity with pressure, a large …
[BOOK][B] What are Microclusters?
S Sugano, H Koizumi, S Sugano, H Koizumi - 1998 - Springer
Classification of the fragments which are obtained by successive division of material is given
according to their sizes. The particles are called fine particles when they consist of the order …
according to their sizes. The particles are called fine particles when they consist of the order …
Reducing quasi‐ergodic behavior in Monte Carlo simulations by J‐walking: Applications to atomic clusters
DD Frantz, DL Freeman, JD Doll - The Journal of chemical physics, 1990 - pubs.aip.org
A method is introduced that is easy to implement and greatly reduces the systematic error
resulting from quasi‐ergodicity, or incomplete sampling of configuration space, in Monte …
resulting from quasi‐ergodicity, or incomplete sampling of configuration space, in Monte …
Use of an eigenmode method to locate the stationary points on the potential energy surfaces of selected argon and water clusters
CJ Tsai, KD Jordan - The Journal of Physical Chemistry, 1993 - ACS Publications
The location of stationary points on potential energysurfaces of polyatomic molecules is a
major problem in computational chemistry. A particularpowerful method for locating minima …
major problem in computational chemistry. A particularpowerful method for locating minima …
Some further applications of discrete path sampling to cluster isomerization
DJ Wales* - Molecular physics, 2004 - Taylor & Francis
The discrete path sampling approach is applied to analyse the dynamics of several atomic
and molecular clusters. Permutational isomerization rates are first calculated for icosahedral …
and molecular clusters. Permutational isomerization rates are first calculated for icosahedral …