[PDF] Dynamic Properties Of Condensing Particle Systems eBook

Author : Jozef T. Devreese
Publisher : Springer Science & Business Media
Page : 591 pages
File Size : 28,16 MB
Release : 2013-11-21
Category : Science
ISBN : 1475708998

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The 1984 Advanced Study Institute on "Electronic Structure, Dynamics and Quantum Structural Properties of Condensed Matter" took place at the Corsendonk Conference Center, close to the City of Antwerpen, from July 16 till 27, 1984. This NATO Advanced Study Institute was motivated by the research in my Institute, where, in 1971, a project was started on "ab-initio" phonon calculations in Silicon. I~ is my pleasure to thank several instances and people who made this ASI possible. First of all, the sponsor of the Institute, the NATO Scientific Committee. Next, the co-sponsors: Agfa-Gevaert, Bell Telephone Mfg. Co. N.V., C & A, Esso Belgium·, CDC Belgium, Janssens Pharmaceutica, Kredietbank and the Scientific Office of the U.S. Army. Special thanks are due to Dr. P. Van Camp and Drs. H. Nachtegaele, who, over several months, prepared the practical aspects of the ASI with the secretarial help of Mrs. R.-M. Vandekerkhof. I also like to. thank Mrs. M. Cuyvers who prepared and organized the subject and material index and Mrs. H. Evans for typing-assist ance. I express particular gratitude to Mrs. F. Nedee, who, like in 1981 and 1982, has put the magnificent Corsendonk Conference Center at our disposal and to Mr. D. Van Der Brempt, Director of the Corsendonk Conference Center, for the efficient way in which he and his staff took care of the practical organization at the Conference Center.

Author : Abraham Nitzan
Publisher : Oxford University Press
Page : 752 pages
File Size : 27,66 MB
Release : 2024-07-16
Category : Science
ISBN : 0192671448

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This second edition of Chemical Dynamics in Condensed Phases provides a substantial modification and expansion of the first edition published in 2006. Nitzan offers a uniform approach to diverse problems encountered in the study of dynamical processes in condensed phase molecular systems. The textbook focuses on three themes: contextual background material, in-depth introduction of methodologies, and analysis of several key applications. These applications are among the most fundamental processes that underlie physical, chemical, and biological phenomena in complex systems. The comprehensive, advanced, and self-contained text provides the theoretical foundations for the processes affecting molecular dynamics in condensed phases that are encountered in the chemistry laboratory as well as in biology and material science research. The mathematical tools and the physical concepts necessary to develop the chemical description are provided first, followed by a detailed discussion of the fundamental chemical processes that underlie the chemical dynamics, including quantum and classical aspects of molecular motion and the interaction of molecules with the radiation field and the surrounding thermal environment. The last part of the book discusses several key processes: accumulation and relaxation of molecular energy, chemical reaction dynamics and the interplay of these dynamics with the dynamics and relaxation of the surrounding solvent, electron transfer reactions, electrode processes and molecular conduction junctions as well as molecular response to optical stimuli in solution and at dielectric interfaces. Attention is given to combining the mathematical analysis with qualitative physical understanding of the different dynamical phenomena. New to this edition is a new chapter 19 on the interaction of molecules with light at dielectric interfaces, motivated by the surge of interest in molecular plasmonics and molecular cavity electrodynamics, as well as a section relevant to this issue added to Chapter 10. Chapters on light-matter interaction and spectroscopy have been expanded to include subjects relevant to the foundation and practice of interfacial spectroscopy. Sections have also been added to include discussion of noise and fluctuations observed in single molecule spectroscopy and in molecular junction transport.

Author : A Blumen
Publisher : World Scientific
Page : 466 pages
File Size : 15,63 MB
Release : 1990-12-19
Category :
ISBN : 9814611476

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The research on condensed molecular solids is truly interdisciplinary, spanning the range from statistical and molecular physics to solid-state-physics, chemistry, up to materials science. This Symposium on dynamical processes in condensed molecular systems highlights the most recent developments in the field, focussing on low-dimensional and non-crystalline materials, such as Langmuir-Blodgett-films, polymers and glasses. The text includes both advanced experimental techniques (hole-burning, fluorescence, short-time pulses, nonlinear spectroscopy) and also modern theoretical approches (dynamical percolation, fractals, localization).

Author : Bruce J Berne
Publisher : World Scientific
Page : 881 pages
File Size : 14,32 MB
Release : 1998-06-17
Category : Science
ISBN : 9814496057

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The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.

Author : Brendon Waters
Publisher :
Page : 0 pages
File Size : 12,80 MB
Release : 2021
Category : Computational physics
ISBN :

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Modeling the dynamics of interacting many-particle systems is one of the central challenges at the forefront of condensed matter physics. When systems of interacting particles are driven out of equilibrium, complex emergent behaviors can arise that are difficult to predict from their individual properties. In this work, we model two such dynamic many-particle systems. The first is a nanocomposite of conductive CrO2and insulating Cr2O3 nanoparticles. We numerically model the nanoparticles as hard spherocylinders, systems of which are compressed into dense, disordered, packings via the mechanical contraction method, with various volume fractions of conductive CrO2. We then analyze the resulting ensembles of these nanocomposites to identify their critical percolation properties through a finite size scaling analysis. We use a randomly walking "blind ant" approach to calculate the conductivity of the nanocomposite and obtain the conductivity critical exponent of the nanocomposite system, which agrees with experimental measurements. Intriguingly, the calculated percolation threshold we obtained,pc= 0.312±0.002, is near (within numerical errors) those found previously in two other systems, disordered jammed spheres, and simple cubic lattice.The second type of system we model the evolution of is embedded grains in two dimensional (2D) crystals. We model 2D materials with the phase field crystal (PFC) model,which captures both atomic spatial resolution and slow diffusive dynamics, allowing for precise mapping of defect structures around evolving grain boundaries. We apply the Cahn-Taylor formulation of grain boundary motion to show that the normal motion of a shrinking embedded grain boundary couples to the tangential motion of atoms along the boundary,resulting in a net rotation of the grain as it changes size. Furthermore, we show that a more complex two component system such as hexagonal boron nitride (h-BN) exhibits a dual mode behavior of grain rotation, where the bonding energy difference between different atomic species results in competing rotations in opposite directions for binary embedded grains. This highlights the role played by the lattice inversion symmetry breaking in binary or multi-component materials as compared to single-component materials. The potential implications for processing techniques used to produce large crystals of 2D materials are also discussed.

Author : S.D. Schwartz
Publisher : Springer Science & Business Media
Page : 314 pages
File Size : 46,87 MB
Release : 2006-04-11
Category : Science
ISBN : 0306469499

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This book is meant to provide a window on the rapidly growing body of theoretical studies of condensed phase chemistry. A brief perusal of physical chemistry journals in the early to mid 1980’s will find a large number of theor- ical papers devoted to 3-body gas phase chemical reaction dynamics. The recent history of theoretical chemistry has seen an explosion of progress in the devel- ment of methods to study similar properties of systems with Avogadro’s number of particles. While the physical properties of condensed phase systems have long been principle targets of statistical mechanics, microscopic dynamic theories that start from detailed interaction potentials and build to first principles predictions of properties are now maturing at an extraordinary rate. The techniques in use range from classical studies of new Generalized Langevin Equations, semicl- sical studies for non-adiabatic chemical reactions in condensed phase, mixed quantum classical studies of biological systems, to fully quantum studies of m- els of condensed phase environments. These techniques have become sufficiently sophisticated, that theoretical prediction of behavior in actual condensed phase environments is now possible. and in some cases, theory is driving development in experiment. The authors and chapters in this book have been chosen to represent a wide variety in the current approaches to the theoretical chemistry of condensed phase systems. I have attempted a number of groupings of the chapters, but the - versity of the work always seems to frustrate entirely consistent grouping.

Author : S. D. Mahanti
Publisher : Nova Publishers
Page : 280 pages
File Size : 39,30 MB
Release : 1995
Category : Medical
ISBN : 9781560722205

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Many of the observed electronic properties of condensed matter systems such as clusters of atoms, solids with long or short range order (amorphous and liquid metals) are governed by the local atomic arrangements around the probe site. The topics in this important volume include: Molecules and clusters; Point defects and defect complexes in solids; Hydrogen and positive muons in metals and semiconductors; Disordered solids and liquid metals; Diffusion and clustering in bulk, on surfaces; and other restricted geometry; High temperature superconductors including C60 assembled materials.