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Book
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Book
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Book
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Chapter
Phases and Phase Changes of Small Systems
Atomic and molecular clusters exhibit a variety of phase-like forms and phase changes that differ from those of bulk matter. It is possible to relate some-but not all-of these to corresponding phases and phase...
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Chapter
Phases and Phase Changes of Clusters
Phase-like forms are expected to be observable for many kinds of clusters, insofar as they should satisfy criteria used to characterize phases of bulk form. However clusters are also expected to exhibit phase-...
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Chapter
Topographies and Dynamics of Many-Dimensional Potential Surfaces
Multidimensional potential surfaces pose a variety of problems, not least of which is that it is now possible to obtain more information about the minima and other stationary points of such surfaces than we kn...
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Chapter
Probing The Collective and Independent-Particle Character of Atomic Electrons
Niels Bohr and Arnold Sommerfeld developed their model of the hydrogen atom and other one-electron atoms based on the concepts of discrete, stationary states and quantized energies and angular momenta of these...
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Chapter
Exploring Potential Surface Landscapes and How they Govern Dynamics
The subject of multidimensional potential surfaces and the dynamics on those surfaces was just reviewed by this writer 1, and the closely related topic of the analytic representation of potential surfaces, largel...
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Chapter
Phase Transitions in Clusters: A Bridge to Condensed Matter
Clusters of atoms or molecules, consisting of as few as three and as many as many thousands of particles, exhibit some properties of individual molecules, some properties of bulk matter and some properties cha...
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Article
Preface
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Article
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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Article
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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Article
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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Article
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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Article
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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Chapter
Pseudomolecular Electron Correlation in Atoms
The D-dimensional scaling properties of the three-body Coulomb problem in atomic and molecular physics have been discussed in part 1 of this volume. Here we examine some new features of the adiabatic molecular...
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Chapter and Conference Paper
How We and Molecules Explore Molecular Landscapes
The multidimensional potential surfaces of clusters and polyatomic molecules can now be mapped by efficient techniques for finding minima and saddle points and, from them, “reaction paths”. How the geometry an...
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Chapter
Steepest-Descent Quenches and the Melting of Microclusters
Extensive molecular dynamics simulations have been performed on clusters of argon atoms to investigate the microscopic mechanism for the melting transition. The steepest-descent quench technique has been emplo...
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Chapter
Melting and Freezing of Microclusters
One of the most intriguing unsolved problems in the physical sciences is the elucidation at the atomic level of freezing and melting. Despite the great advances in the description of the critical region, the “...
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Chapter
Annealing of Fine Powders: Initial Shapes and Grain Boundary Motion
This paper describes the evolution of shapes of powder particles during the first stage of sintering, assuming initial spherical shapes. Although this model has been proposed in 1949, it is solved exactly for ...