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Open AccessGrowth of bubbles in liquid
Evolution of a gas injected in a liquid is analyzed using the example of the behavior of oxygen molecules in water in which bubbles of gas molecules grow slowly by attachment of gas molecules to bubbles, the b...
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Ions in liquid metal clusters
From the results of computer simulations, especially of 13-atom metal clusters by molecular dynamics, we derive a theory of the solid–liquid phase transition in metal clusters that connects to the jellium mode...
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Energy landscapes: topographies, interparticle forces and dynamics, and how they are related
Many-body systems exhibit dynamic behavior ranging between two extremes that can be characterized as structure-seeking and glass-forming, when allowed to cool to a solid structure from a melt or high-energy ra...
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Hydration Profiles of Amyloidogenic Molecular Structures
Hydration shells of normal proteins display regions of highly structured water as well as patches of less structured bulk-like water. Recent studies suggest that isomers with larger surface densities of patche...
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Size is everything
Bulk matter melts and freezes in a predictable manner. Not so clusters of atoms in their tens, hundreds or thousands, which have very different properties. They have no fixed melting temperature at a given pre...
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Thermal Mass and Thermal Inertia in Fluids — A Comparison of Hypotheses
Thermal inertia and thermal mass are concepts that offer means to describe transport of heat in nonequilibrium fluids. However there are options regarding how to separate the part of the total flow that caries...
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Preface
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Chaotic dynamics and vibrational mode coupling in small argon clusters
We have computed the local Kolmogorov entropy of molecular dynamics trajectory segments near the potential energy saddles of model Ar3 and Ar5 clusters. In the case of Ar3 clusters bound with a Lennard-Jones pote...
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Clusters: A laboratory for studying chaos and ergodicity
The dynamics of clusters are revealed, in part, by the extent and nature of their chaotic and ergodic behavior. Conversely, small clusters offer opportunities to study the origins and evolution of chaotic and ...
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Noble gas clusters in model zeolite cavities
Noble gas atoms trapped in the intracrystalline cavities of zeolites may form clusters. A classical-mechanical isoenergetic molecular dynamics simulation is performed to simulate the dynamical behavior of nobl...
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The possibilities for glassy clusters: (KCl)32
The (KCl)32 cluster is used as a model system to study the possibilities for clusters to exhibit amorphous or glassy solid forms. The problem has two aspects: first, whether the potential surface of the cluster s...
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Isomers of (LiBr) n n=4,5,8 and their interconversion
The structure and long-time dynamics of (LiBr) n n=4,5,8 were studied by optimization and molecular dynamics. The ring structure, double ring stack for (LiBr)8, was found to be ...
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Surface Melting and Surface Diffusion on Clusters
Surface melting on clusters is investigated by a combination of analytic modeling and computer simulation. Homogeneous, argon-like clusters bound by Lennard-Jones forces and Cu-like clusters bound by émbedded ...
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Hund's rule
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Correspondence