27 Result(s)
within
Chapter
R. Stephen Berry
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Chapter
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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Chapter
The Phase Rule: Beyond Myopia to Understanding
The Gibbs phase rule relating the number of degrees of freedom f of a system to the number of components c and the number of coexisting phases p is a central, universally used relation, expressed by what is proba...
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Chapter
Finite-Time Thermodynamics
Traditional thermodynamics evolved from Carnot’s introduction of the concept of the ideal reversible process, a process that would proceed infi- nitely slowly. Precisely because of that constraint, such a proc...
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Chapter
Phases, Phase Changes, and the Thermodynamics of Small Systems
The thermodynamics of small systems seems strange, even bizarre, at first encounter, especially if one’s thinking is locked to the concepts traditionally presented in texts and courses on thermodynamics of con...
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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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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
Phase Changes for Clusters and for Bulk Matter
Two kinds of phase changes are analyzed and compared, in the context of clusters and in terms of their implications for bulk matter. The homogeneous melting and freezing transition is reviewed briefly with reg...
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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
Time Scale Considerations in the Characterization of Melting and Freezing in Microclusters
In spite of their size, some microclusters exhibit distinct solid and liquid forms, according to diffraction and simulation studies. Both isothermal and isoergic simulations show that several free Ar ...
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Chapter
Small Molecules and Ions: A Thing or Two We Still don’t Understand
This essay is intended as a thorn to start off the discussions of the Workshop on the Structure of Small Molecules and Ions in memory of Professor Itzhak Plesser, by reviewing some of the aspects of small mole...
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Chapter and Conference Paper
Phase Changes: The Interplay of Dynamics and Equilibrium in Finite Systems
Finite systems may exhibit solid-like and liquid-like “phases”, whose conditions for mutual equilibrium do not correspond to those of any traditional bulk phase transition, whether first-order, second-order or...
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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 ...
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Chapter
Molecules: Rigid/Floppy or Solid/Liquid?
Nearly-rigid molecules and clusters are identified with solid-like systems and very nonrigid molecules and clusters, with liquid-like counterparts. Evidence from analytic theory and simulations is building to ...
