From Hamiltonians To Phase Diagrams

Download or read book From Hamiltonians to Phase Diagrams written by Jürgen Hafner and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt: The development of the modern theory of metals and alloys has coincided with great advances in quantum-mechanical many-body theory, in electronic structure calculations, in theories of lattice dynamics and of the configura tional thermodynamics of crystals, in liquid-state theory, and in the theory of phase transformations. For a long time all these different fields expanded quite independently, but now their overlap has become sufficiently large that they are beginning to form the basis of a comprehensive first-principles the ory of the cohesive, structural, and thermodynamical properties of metals and alloys in the crystalline as well as in the liquid state. Today, we can set out from the quantum-mechanical many-body Hamiltonian of the system of electrons and ions, and, following the path laid out by generations of the oreticians, we can progress far enough to calculate a pressure-temperature phase diagram of a metal or a composition-temperature phase diagram of a binary alloy by methods which are essentially rigorous and from first prin ciples. This book was written with the intention of confronting the materials scientist, the metallurgist, the physical chemist, but also the experimen tal and theoretical condensed-matter physicist, with this new and exciting possibility. Of course there are limitations to such a vast undertaking as this. The selection of the theories and techniques to be discussed, as well as the way in which they are presented, are necessarily biased by personal inclination and personal expertise.

Download or read book Phase Diagrams of the Elements written by David A. Young and published by Univ of California Press. This book was released on 2023-12-22 with total page 246 pages. Available in PDF, EPUB and Kindle. Book excerpt: The behavior of solid and liquid matter at high pressures and temperatures is best described in a phase diagram, which shows the regions of stability of different phases of the material. Thanks to the diamond-anvil cell, which has made possible much higher pressures, and to new and very accurate theoretical models and methods, Phase Diagrams of the Elements presents the most up-to-date information on the phase behavior of all the chemical elements from hydrogen to fermium. The book summarizes, with the aid of tables and illustrations, the experimental data and the theoretical calculations. Each element is discussed in a separate section. Other chapters deal with methods, the liquid-vapor transition, and an overview of the elements. While comprehensively reviewing all that has been done in this important area, the author also points to questions that need much more experimental and theoretical work.

Download or read book CALPHAD (Calculation of Phase Diagrams): A Comprehensive Guide written by N. Saunders and published by Elsevier. This book was released on 1998-06-09 with total page 497 pages. Available in PDF, EPUB and Kindle. Book excerpt: This monograph acts as a benchmark to current achievements in the field of Computer Coupling of Phase Diagrams and Thermochemistry, often called CALPHAD which is an acronym for Computer CALculation of PHAse Diagrams. It also acts as a guide to both the basic background of the subject area and the cutting edge of the topic, combining comprehensive discussions of the underlying physical principles of the CALPHAD method with detailed descriptions of their application to real complex multi-component materials.Approaches which combine both thermodynamic and kinetic models to interpret non-equilibrium phase transformations are also reviewed.

Download or read book High Temperature Superconductivity written by D.P Tunstall and published by CRC Press. This book was released on 2021-07-29 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: High Temperature Superconductivity provides a broad survey of high temperature superconductivity, discussing the adaptations of experimental and theoretical techniques and methods that take advantage of the revolutionary properties of high temperature superconductors. Distinguished engineers, chemists, and experimental and theoretical physicists introduce their own particular area of the field before going on to explain current theories and techniques. The book is divided into three sections: materials, mechanisms, and devices. Topics covered include synthetic approaches to the growth of new materials; optical, magnetic, and electrical characterization of synthesized materials; strong correlations; the magnon pairing mechanism; and technical background of device performance in new materials. A coherent introduction to high temperature superconductivity, this volume will be invaluable to researchers in condensed matter physics, chemistry, materials science, and engineering.

Download or read book Advances in Chemical Physics written by Ilya Prigogine and published by John Wiley & Sons. This book was released on 2003-04-23 with total page 608 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Chemical Physics covers recent advances at the cutting edge of research relative to chemical physics. The series, Advances in Chemical Physics, provides a forum for critical, authoritative evaluations of advances in every area of the discipline.

Download or read book Cold Molecules written by Roman Krems and published by CRC Press. This book was released on 2009-06-25 with total page 756 pages. Available in PDF, EPUB and Kindle. Book excerpt: The First Book on Ultracold MoleculesCold molecules offer intriguing properties on which new operational principles can be based (e.g., quantum computing) or that may allow researchers to study a qualitatively new behavior of matter (e.g., Bose-Einstein condensates structured by the electric dipole interaction). This interdisciplinary book discusse

Download or read book Quantum Information and Computation for Chemistry, Volume 154 written by Sabre Kais and published by John Wiley & Sons. This book was released on 2014-01-31 with total page 522 pages. Available in PDF, EPUB and Kindle. Book excerpt: Examines the intersection of quantum information and chemical physics The Advances in Chemical Physics series is dedicated to reviewing new and emerging topics as well as the latest developments in traditional areas of study in the field of chemical physics. Each volume features detailed comprehensive analyses coupled with individual points of view that integrate the many disciplines of science that are needed for a full understanding of chemical physics. This volume of the series explores the latest research findings, applications, and new research paths from the quantum information science community. It examines topics in quantum computation and quantum information that are related to or intersect with key topics in chemical physics. The reviews address both what chemistry can contribute to quantum information and what quantum information can contribute to the study of chemical systems, surveying both theoretical and experimental quantum information research within the field of chemical physics. With contributions from an international team of leading experts, Volume 154 offers seventeen detailed reviews, including: Introduction to quantum information and computation for chemistry Quantum computing approach to non-relativistic and relativistic molecular energy calculations Quantum algorithms for continuous problems and their applications Photonic toolbox for quantum simulation Vibrational energy and information transfer through molecular chains Tensor networks for entanglement evolution Reviews published in Advances in Chemical Physics are typically longer than those published in journals, providing the space needed for readers to fully grasp the topic: the fundamentals as well as the latest discoveries, applications, and emerging avenues of research. Extensive cross-referencing enables readers to explore the primary research studies underlying each topic.