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Theoretical Studies Of The Dynamics Of Condensed Phase High Energy Density Materials
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Book Synopsis Theoretical Studies of the Dynamics of Condensed Phase High Energy Density Materials by :
Download or read book Theoretical Studies of the Dynamics of Condensed Phase High Energy Density Materials written by and published by . This book was released on 1997 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum solids such as hydrogen, which contain matrix isolated reactive species such as atomic lithium, boron, hydrogen, nitrogen, organic radicals, etc., have been suggested as possible high energy density matter (HEDM) for propulsion purposes. At temperatures appropriate to the condensed phases of hydrogen, both the light guest species and the host solid molecules exhibit very significant quantum mechanical effects. This report describes the development and application of quantum mechanical methods to computationally probe the dynamical and structural behavior of impurity species (e.g., atomic lithium) in solid, liquid, and cluster para-hydrogen. These studies were based on the Feynman path integral formulation of statistical mechanics. Both the structural and dynamical aspects of the composite condensed phase systems are reported. The long range strategic goal of the research program was to develop a computational methodology for predicting the stability of prospective cryogenic HEDM.
Book Synopsis Theoretical Methods in Condensed Phase Chemistry by : S.D. Schwartz
Download or read book Theoretical Methods in Condensed Phase Chemistry written by S.D. Schwartz and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 314 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Condensed Matter Theories - Proceedings of the 33rd International Workshop by : Eduardo V. Ludena
Download or read book Condensed Matter Theories - Proceedings of the 33rd International Workshop written by Eduardo V. Ludena and published by World Scientific. This book was released on 2011-03-04 with total page 417 pages. Available in PDF, EPUB and Kindle. Book excerpt: The orientation and physical context of the CMT Series of Workshops have always been cross-disciplinary, but with an emphasis placed on the common concerns of theorists applying many-particle concepts in diverse areas of physics. In this spirit, CMT33 chose to focus special attention on exotic fermionic and bosonic systems, quantum magnets and their quantum and thermal phase transitions, novel condensed matter systems for renewable energy sources, the physics of nanosystems and nanotechnology, and applications of molecular dynamics and density functional theory.
Book Synopsis Analysis of Multi-Scale Phenomena and Transients in Explosives and Complex Energetic Systems by :
Download or read book Analysis of Multi-Scale Phenomena and Transients in Explosives and Complex Energetic Systems written by and published by . This book was released on 2010 with total page 9 pages. Available in PDF, EPUB and Kindle. Book excerpt: This report summarizes the activities of a 3-year grant and 6 month extension supported by the Air Force Office of Scientific Research. The main topics covered by our investigations, are described succinctly as: (1) Complexity and meso-scale investigations of condensed explosive and reactive materials that include dynamical interaction of reactive flow at the scale of the microstructure of the material. We developed concepts related to the multi-scale statistical design of high energy density materials and specific modeling approaches required to described metal loaded, condensed phase explosives, with a reduced detonation theories. (2) Theory and simulation for porous energetic explosives and multiphase reactive materials. This included asymptotic derivation of a theory of detonation shock dynamics for a porous energetic materials, and the development of entirely new models that can be used to describe non-classical detonation phenomena observed in reactive materials (sometime referred to as 'solid state detonation'.) (3) Linear and nonlinear theory for stability of detonations, formulated in the shock attached frame. The grant also supported the completion of two comprehensive review articles on detonation stability theory and detonation shock dynamics.
Book Synopsis Dynamics of Ordering Processes in Condensed Matter by : S. Komura
Download or read book Dynamics of Ordering Processes in Condensed Matter written by S. Komura and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 571 pages. Available in PDF, EPUB and Kindle. Book excerpt: The International Symposium on Dynamics of Ordering Processes in Condensed Matter was held at the Kansai Seminar House, Kyoto, for four days, from 27 to 30 August 1987, under the auspices of the Physical Soci ety of Japan. The symposium was financially supported by the four orga nizations and 45 companies listed on other pages in this volume. We are very grateful to all of them and particularly to the greatest sponsor, the Commemorative Association for the Japan World Exposition 1970. A total Df 22 invited lectures and 48 poster presentations were given and 110 participants attended from seven nations. An objective of the Symposium was to review and extend our present understanding of the dynamics of ordering processes in condensed matters, (for example, alloys, polymers and fluids), that are brought to an un stable state by sudden change of such external parameters as temperature and pressure. A second objective, no less important, was to identify new fields of science that might be investigated by similar, but sometimes more sophisticated, concepts and tactics. An emphasis was laid on those universal aspects of the laws governing the ordering processes which transcended the detailed differences among the substances used. The 71 lectures reproduced in this volume bear witness to the success of the Symposium in meeting amply the first objective and, to a lesser extent, the second.
Book Synopsis Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics by : Bruce J Berne
Download or read book Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics written by Bruce J Berne and published by World Scientific. This book was released on 1998-06-17 with total page 881 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Scientific and Technical Aerospace Reports by :
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 602 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lists citations with abstracts for aerospace related reports obtained from world wide sources and announces documents that have recently been entered into the NASA Scientific and Technical Information Database.
Book Synopsis High Energy-density Materials by : Kenneth John Wilson
Download or read book High Energy-density Materials written by Kenneth John Wilson and published by . This book was released on 2002 with total page 86 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis High Energy-density Materials by : Kenneth Wilson
Download or read book High Energy-density Materials written by Kenneth Wilson and published by . This book was released on 2018-12-06 with total page 96 pages. Available in PDF, EPUB and Kindle. Book excerpt: Dissertation Discovery Company and University of Florida are dedicated to making scholarly works more discoverable and accessible throughout the world. This dissertation, "High Energy-density Materials" by Kenneth John Wilson, was obtained from University of Florida and is being sold with permission from the author. A digital copy of this work may also be found in the university's institutional repository, IR@UF. The content of this dissertation has not been altered in any way. We have altered the formatting in order to facilitate the ease of printing and reading of the dissertation.
Book Synopsis Frontiers in High Energy Density Physics by : National Research Council
Download or read book Frontiers in High Energy Density Physics written by National Research Council and published by National Academies Press. This book was released on 2003-05-11 with total page 177 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent scientific and technical advances have made it possible to create matter in the laboratory under conditions relevant to astrophysical systems such as supernovae and black holes. These advances will also benefit inertial confinement fusion research and the nation's nuclear weapon's program. The report describes the major research facilities on which such high energy density conditions can be achieved and lists a number of key scientific questions about high energy density physics that can be addressed by this research. Several recommendations are presented that would facilitate the development of a comprehensive strategy for realizing these research opportunities.
Book Synopsis Condensed Matter Theories, Volume 25 - Proceedings Of The 33rd International Workshop by : Eduardo V Ludena
Download or read book Condensed Matter Theories, Volume 25 - Proceedings Of The 33rd International Workshop written by Eduardo V Ludena and published by World Scientific. This book was released on 2011-03-04 with total page 417 pages. Available in PDF, EPUB and Kindle. Book excerpt: The orientation and physical context of the CMT Series of Workshops have always been cross-disciplinary, but with an emphasis placed on the common concerns of theorists applying many-particle concepts in diverse areas of physics. In this spirit, CMT33 chose to focus special attention on exotic fermionic and bosonic systems, quantum magnets and their quantum and thermal phase transitions, novel condensed matter systems for renewable energy sources, the physics of nanosystems and nanotechnology, and applications of molecular dynamics and density functional theory./a
Book Synopsis Condensed Matter Theories by : P. Vashishta
Download or read book Condensed Matter Theories written by P. Vashishta and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 398 pages. Available in PDF, EPUB and Kindle. Book excerpt: The second volume of Condensed Matter Theories contains the proceedings of the 10th International Workshop held at Argonne National Laboratory, Argonne, IL, U.S.A. during the week of July 21, 1986. The workshop was attended by high-energy, nuclear and condensed-matter physicists as well as materials scientists. This diverse blend of participants was in keeping with the flavor of the previous workshops. This annual series of international workshops was"started in 1977 in Sao Paulo, Brazil. Subsequent'workshops were held in Trieste (Italy), Buenos Aires (Argentina), Caracas (Venezuela), Altenberg (West Germany), Granada (Spain), and San Francisco (U.S.A.). What began as a meeting of the physicists from the Western Hemisphere has expanded in the last three years into an international conference of scientists with diverse interests and backgrounds. This diversity has promoted a healthy exchange of ideas from different branches of physics and also fruitful interactions among the participants. The present volume is a continuation of the effort started last year when the invited papers from the 9th International Workshop were published by Plenum Press. Our only trepidation in organizing a book of this kind stemmed from the diversity of the material, which did not lend itself easily to well-defined topics. Still, the articles are loosely divided into eight categories, where the papers in each category have either a common theme or the same underlying technique.
Book Synopsis Condensed Matter Physics in the Prime of the 21st Century by : Janusz J?drzejewski
Download or read book Condensed Matter Physics in the Prime of the 21st Century written by Janusz J?drzejewski and published by World Scientific. This book was released on 2008 with total page 371 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is a collection of lectures by 11 active researchers, renowned specialists in a number of modern, promising, dynamically-developing research directions in condensed matter/solid state theory. The lectures are concerned with phenomena, materials and ideas, discussing theoretical and experimental features, as well as with methods of calculation.Readers will find up-to-date presentations of the methods of carrying out efficient calculations for electronic systems and quantum spin systems, together with applications to describe phenomena and to design new materials. These applications include systems of quantum dots, quantum gates, semiconductor materials for spintronics, and the unusual characteristics of warm dense matter.
Book Synopsis Ginzburg–Landau Theory of Condensates by : Baruch Rosenstein
Download or read book Ginzburg–Landau Theory of Condensates written by Baruch Rosenstein and published by Cambridge University Press. This book was released on 2021-11-18 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ginzburg–Landau theory is an important tool in condensed matter physics research, describing the ordered phases of condensed matter, including the dynamics, elasticity, and thermodynamics of the condensed configurations. In this systematic introduction to Ginzberg–Landau theory, both common and topological excitations are considered on the same footing (including their thermodynamics and dynamical phenomena). The role of the topological versus energetic considerations is made clear. Required mathematics (symmetry, including lattice translation, topology, and perturbative techniques) are introduced as needed. The results are illustrated using arguably the most fascinating class of such systems, high Tc superconductors subject to magnetic field. This book is an important reference for both researchers and graduate students working in condensed matter physics or can act as a textbook for those taking advanced courses on these topics.
Book Synopsis Condensed Matter Theories by : Virulh Sa-yakanit
Download or read book Condensed Matter Theories written by Virulh Sa-yakanit and published by World Scientific. This book was released on 2009 with total page 499 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Thirty-First International Workshop on Condensed Matter Theories (CMT31) held in Bangkok focused on the many roles played by ab initio theory, modeling, and high-performance computing in condensed matter and materials science, providing a forum for the discussion of recent advances and exploration of new problems. Fifty-six invited papers were presented, of which 38 appear as chapters in this volume. Reports of recent results generated lively debate on two-dimensional electron systems, the metal-insulator transition, dilute magnetic semiconductors, effects of disorder, magnetoresistence phenomena, ferromagnetic stripes, quantum Hall systems, strongly correlated Fermi systems, superconductivity, dilute fermionic and bosonic gases, nanostructured materials, plasma instabilities, quantum fluid mixtures, and helium in reduced geometries.
Book Synopsis Computational Approaches for Chemistry Under Extreme Conditions by : Nir Goldman
Download or read book Computational Approaches for Chemistry Under Extreme Conditions written by Nir Goldman and published by Springer. This book was released on 2019-02-18 with total page 293 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents recently developed computational approaches for the study of reactive materials under extreme physical and thermodynamic conditions. It delves into cutting edge developments in simulation methods for reactive materials, including quantum calculations spanning nanometer length scales and picosecond timescales, to reactive force fields, coarse-grained approaches, and machine learning methods spanning microns and nanoseconds and beyond. These methods are discussed in the context of a broad range of fields, including prebiotic chemistry in impacting comets, studies of planetary interiors, high pressure synthesis of new compounds, and detonations of energetic materials. The book presents a pedagogical approach for these state-of-the-art approaches, compiled into a single source for the first time. Ultimately, the volume aims to make valuable research tools accessible to experimentalists and theoreticians alike for any number of scientific efforts, spanning many different types of compounds and reactive conditions.
Book Synopsis Potential Energy Surfaces and Dynamics of High Energy Materials by :
Download or read book Potential Energy Surfaces and Dynamics of High Energy Materials written by and published by . This book was released on 2002 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: On the theoretical side, a new highly scalable code for frozen core second order perturbation theory gradients for closed shell molecules has been developed. The development of analogous codes for molecules with unpaired electrons is in progress. A working unrestricted second order perturbation theory code is now in GAMESS, and work on a scalable version of this code will begin shortly. The derivation for the spin-restricted open shell second order perturbation theory gradients has been completed. Other important developments are new convergence methods for MCSCF wavefunctions that facilitate MCSCF calculations on large molecules, the derivation of gradients for multi-reference second order perturbation theory, further developments of our effective fragment potential (EFP) method for studying solvation and liquid behavior, the development of molecular dynamics and Monte Carlo methods to facilitate the study of solvation and liquid behavior, the development and implementation of a new method for producing global potential energy surfaces from sets of ab initio points, the development and implementation of a gridless approach to density functional theory, and the development and implementation of a general, all electron MCSCF approach to spin-orbit coupling. With regard to applications, considerable progress has been made in our understanding of the mechanisms for formation of POSS (polyhedral oligomeric silsesquioxanes) reaction. Careful studies of the potential energy surfaces of B and B2 interacting with 112 have been carried out, and similar studies for Al have been initiated. The reactions leading to Al and B oxides when these species are burned in a rocket engine are underway. Several studies of high energy organic and inorganic compounds are ongoing.
