Covariant Hamiltonian Field Theory 3
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Computational Thermodynamics: a Mature Scientific Tool for Industry and Academia*
Pure Appl. Chem., Vol. 83, No. 5, pp. 1031–1044, 2011. doi:10.1351/PAC-CON-10-12-06 © 2011 IUPAC, Publication date (Web): 4 April 2011 Computational thermodynamics: A mature scientific tool for industry and academia* Klaus Hack GTT Technologies, Kaiserstrasse 100, D-52134 Herzogenrath, Germany Abstract: The paper gives an overview of the general theoretical background of computa- tional thermochemistry as well as recent developments in the field, showing special applica- tion cases for real world problems. The established way of applying computational thermo- dynamics is the use of so-called integrated thermodynamic databank systems (ITDS). A short overview of the capabilities of such an ITDS is given using FactSage as an example. However, there are many more applications that go beyond the closed approach of an ITDS. With advanced algorithms it is possible to include explicit reaction kinetics as an additional constraint into the method of complex equilibrium calculations. Furthermore, a method of interlinking a small number of local equilibria with a system of materials and energy streams has been developed which permits a thermodynamically based approach to process modeling which has proven superior to detailed high-resolution computational fluid dynamic models in several cases. Examples for such highly developed applications of computational thermo- dynamics will be given. The production of metallurgical grade silicon from silica and carbon will be used to demonstrate the application of several calculation methods up to a full process model. Keywords: complex equilibria; Gibbs energy; phase diagrams; process modeling; reaction equilibria; thermodynamics. INTRODUCTION The concept of using Gibbsian thermodynamics as an approach to tackle problems of industrial or aca- demic background is not new at all. -
Thermodynamics
ME346A Introduction to Statistical Mechanics { Wei Cai { Stanford University { Win 2011 Handout 6. Thermodynamics January 26, 2011 Contents 1 Laws of thermodynamics 2 1.1 The zeroth law . .3 1.2 The first law . .4 1.3 The second law . .5 1.3.1 Efficiency of Carnot engine . .5 1.3.2 Alternative statements of the second law . .7 1.4 The third law . .8 2 Mathematics of thermodynamics 9 2.1 Equation of state . .9 2.2 Gibbs-Duhem relation . 11 2.2.1 Homogeneous function . 11 2.2.2 Virial theorem / Euler theorem . 12 2.3 Maxwell relations . 13 2.4 Legendre transform . 15 2.5 Thermodynamic potentials . 16 3 Worked examples 21 3.1 Thermodynamic potentials and Maxwell's relation . 21 3.2 Properties of ideal gas . 24 3.3 Gas expansion . 28 4 Irreversible processes 32 4.1 Entropy and irreversibility . 32 4.2 Variational statement of second law . 32 1 In the 1st lecture, we will discuss the concepts of thermodynamics, namely its 4 laws. The most important concepts are the second law and the notion of Entropy. (reading assignment: Reif x 3.10, 3.11) In the 2nd lecture, We will discuss the mathematics of thermodynamics, i.e. the machinery to make quantitative predictions. We will deal with partial derivatives and Legendre transforms. (reading assignment: Reif x 4.1-4.7, 5.1-5.12) 1 Laws of thermodynamics Thermodynamics is a branch of science connected with the nature of heat and its conver- sion to mechanical, electrical and chemical energy. (The Webster pocket dictionary defines, Thermodynamics: physics of heat.) Historically, it grew out of efforts to construct more efficient heat engines | devices for ex- tracting useful work from expanding hot gases (http://www.answers.com/thermodynamics). -
Description of Bound States and Scattering Processes Using Hamiltonian Renormalization Group Procedure for Effective Particles in Quantum field Theory
Description of bound states and scattering processes using Hamiltonian renormalization group procedure for effective particles in quantum field theory Marek Wi˛eckowski June 2005 Doctoral thesis Advisor: Professor Stanisław D. Głazek Warsaw University Department of Physics Institute of Theoretical Physics Warsaw 2005 i Acknowledgments I am most grateful to my advisor, Professor Stanisław Głazek, for his invaluable advice and assistance during my work on this thesis. I would also like to thank Tomasz Masłowski for allowing me to use parts of our paper here. My heartfelt thanks go to Dr. Nick Ukiah, who supported and encouraged me during the writing of this thesis and who helped me in editing the final manuscript in English. Finally, I would like to thank my family, especially my grandmother, who has been a great support to me during the last few years. MAREK WI ˛ECKOWSKI,DESCRIPTION OF BOUND STATES AND SCATTERING... ii MAREK WI ˛ECKOWSKI,DESCRIPTION OF BOUND STATES AND SCATTERING... iii Abstract This thesis presents examples of a perturbative construction of Hamiltonians Hλ for effective particles in quantum field theory (QFT) on the light front. These Hamiltonians (1) have a well-defined (ultraviolet-finite) eigenvalue problem for bound states of relativistic constituent fermions, and (2) lead (in a scalar theory with asymptotic freedom in perturbation theory in third and partly fourth order) to an ultraviolet-finite and covariant scattering matrix, as the Feynman diagrams do. λ is a parameter of the renormalization group for Hamiltonians and qualitatively means the inverse of the size of the effective particles. The same procedure of calculating the operator Hλ applies in description of bound states and scattering. -
Turbulence, Entropy and Dynamics
TURBULENCE, ENTROPY AND DYNAMICS Lecture Notes, UPC 2014 Jose M. Redondo Contents 1 Turbulence 1 1.1 Features ................................................ 2 1.2 Examples of turbulence ........................................ 3 1.3 Heat and momentum transfer ..................................... 4 1.4 Kolmogorov’s theory of 1941 ..................................... 4 1.5 See also ................................................ 6 1.6 References and notes ......................................... 6 1.7 Further reading ............................................ 7 1.7.1 General ............................................ 7 1.7.2 Original scientific research papers and classic monographs .................. 7 1.8 External links ............................................. 7 2 Turbulence modeling 8 2.1 Closure problem ............................................ 8 2.2 Eddy viscosity ............................................. 8 2.3 Prandtl’s mixing-length concept .................................... 8 2.4 Smagorinsky model for the sub-grid scale eddy viscosity ....................... 8 2.5 Spalart–Allmaras, k–ε and k–ω models ................................ 9 2.6 Common models ........................................... 9 2.7 References ............................................... 9 2.7.1 Notes ............................................. 9 2.7.2 Other ............................................. 9 3 Reynolds stress equation model 10 3.1 Production term ............................................ 10 3.2 Pressure-strain interactions -
Advances in Quantum Field Theory
ADVANCES IN QUANTUM FIELD THEORY Edited by Sergey Ketov Advances in Quantum Field Theory Edited by Sergey Ketov Published by InTech Janeza Trdine 9, 51000 Rijeka, Croatia Copyright © 2012 InTech All chapters are Open Access distributed under the Creative Commons Attribution 3.0 license, which allows users to download, copy and build upon published articles even for commercial purposes, as long as the author and publisher are properly credited, which ensures maximum dissemination and a wider impact of our publications. After this work has been published by InTech, authors have the right to republish it, in whole or part, in any publication of which they are the author, and to make other personal use of the work. Any republication, referencing or personal use of the work must explicitly identify the original source. As for readers, this license allows users to download, copy and build upon published chapters even for commercial purposes, as long as the author and publisher are properly credited, which ensures maximum dissemination and a wider impact of our publications. Notice Statements and opinions expressed in the chapters are these of the individual contributors and not necessarily those of the editors or publisher. No responsibility is accepted for the accuracy of information contained in the published chapters. The publisher assumes no responsibility for any damage or injury to persons or property arising out of the use of any materials, instructions, methods or ideas contained in the book. Publishing Process Manager Romana Vukelic Technical Editor Teodora Smiljanic Cover Designer InTech Design Team First published February, 2012 Printed in Croatia A free online edition of this book is available at www.intechopen.com Additional hard copies can be obtained from [email protected] Advances in Quantum Field Theory, Edited by Sergey Ketov p. -
Moon-Earth-Sun: the Oldest Three-Body Problem
Moon-Earth-Sun: The oldest three-body problem Martin C. Gutzwiller IBM Research Center, Yorktown Heights, New York 10598 The daily motion of the Moon through the sky has many unusual features that a careful observer can discover without the help of instruments. The three different frequencies for the three degrees of freedom have been known very accurately for 3000 years, and the geometric explanation of the Greek astronomers was basically correct. Whereas Kepler’s laws are sufficient for describing the motion of the planets around the Sun, even the most obvious facts about the lunar motion cannot be understood without the gravitational attraction of both the Earth and the Sun. Newton discussed this problem at great length, and with mixed success; it was the only testing ground for his Universal Gravitation. This background for today’s many-body theory is discussed in some detail because all the guiding principles for our understanding can be traced to the earliest developments of astronomy. They are the oldest results of scientific inquiry, and they were the first ones to be confirmed by the great physicist-mathematicians of the 18th century. By a variety of methods, Laplace was able to claim complete agreement of celestial mechanics with the astronomical observations. Lagrange initiated a new trend wherein the mathematical problems of mechanics could all be solved by the same uniform process; canonical transformations eventually won the field. They were used for the first time on a large scale by Delaunay to find the ultimate solution of the lunar problem by perturbing the solution of the two-body Earth-Moon problem. -
Contact Dynamics Versus Legendrian and Lagrangian Submanifolds
Contact Dynamics versus Legendrian and Lagrangian Submanifolds August 17, 2021 O˘gul Esen1 Department of Mathematics, Gebze Technical University, 41400 Gebze, Kocaeli, Turkey. Manuel Lainz Valc´azar2 Instituto de Ciencias Matematicas, Campus Cantoblanco Consejo Superior de Investigaciones Cient´ıficas C/ Nicol´as Cabrera, 13–15, 28049, Madrid, Spain Manuel de Le´on3 Instituto de Ciencias Matem´aticas, Campus Cantoblanco Consejo Superior de Investigaciones Cient´ıficas C/ Nicol´as Cabrera, 13–15, 28049, Madrid, Spain and Real Academia Espa˜nola de las Ciencias. C/ Valverde, 22, 28004 Madrid, Spain. Juan Carlos Marrero4 ULL-CSIC Geometria Diferencial y Mec´anica Geom´etrica, Departamento de Matematicas, Estadistica e I O, Secci´on de Matem´aticas, Facultad de Ciencias, Universidad de la Laguna, La Laguna, Tenerife, Canary Islands, Spain arXiv:2108.06519v1 [math.SG] 14 Aug 2021 Abstract We are proposing Tulczyjew’s triple for contact dynamics. The most important ingredients of the triple, namely symplectic diffeomorphisms, special symplectic manifolds, and Morse families, are generalized to the contact framework. These geometries permit us to determine so-called generating family (obtained by merging a special contact manifold and a Morse family) for a Legendrian submanifold. Contact Hamiltonian and Lagrangian Dynamics are 1E-mail: [email protected] 2E-mail: [email protected] 3E-mail: [email protected] 4E-mail: [email protected] 1 recast as Legendrian submanifolds of the tangent contact manifold. In this picture, the Legendre transformation is determined to be a passage between two different generators of the same Legendrian submanifold. A variant of contact Tulczyjew’s triple is constructed for evolution contact dynamics. -
Lecture 1: Historical Overview, Statistical Paradigm, Classical Mechanics
Lecture 1: Historical Overview, Statistical Paradigm, Classical Mechanics Chapter I. Basic Principles of Stat Mechanics A.G. Petukhov, PHYS 743 August 23, 2017 Chapter I. Basic Principles of Stat Mechanics LectureA.G. Petukhov, 1: Historical PHYS Overview, 743 Statistical Paradigm, ClassicalAugust Mechanics 23, 2017 1 / 11 In 1905-1906 Einstein and Smoluchovski developed theory of Brownian motion. The theory was experimentally verified in 1908 by a french physical chemist Jean Perrin who was able to estimate the Avogadro number NA with very high accuracy. Daniel Bernoulli in eighteen century was the first who applied molecular-kinetic hypothesis to calculate the pressure of an ideal gas and deduct the empirical Boyle's law pV = const. In the 19th century Clausius introduced the concept of the mean free path of molecules in gases. He also stated that heat is the kinetic energy of molecules. In 1859 Maxwell applied molecular hypothesis to calculate the distribution of gas molecules over their velocities. Historical Overview According to ancient greek philosophers all matter consists of discrete particles that are permanently moving and interacting. Gas of particles is the simplest object to study. Until 20th century this molecular-kinetic theory had not been directly confirmed in spite of it's success in chemistry Chapter I. Basic Principles of Stat Mechanics LectureA.G. Petukhov, 1: Historical PHYS Overview, 743 Statistical Paradigm, ClassicalAugust Mechanics 23, 2017 2 / 11 Daniel Bernoulli in eighteen century was the first who applied molecular-kinetic hypothesis to calculate the pressure of an ideal gas and deduct the empirical Boyle's law pV = const. In the 19th century Clausius introduced the concept of the mean free path of molecules in gases. -
Classical Mechanics
Classical Mechanics Prof. Dr. Alberto S. Cattaneo and Nima Moshayedi January 7, 2016 2 Preface This script was written for the course called Classical Mechanics for mathematicians at the University of Zurich. The course was given by Professor Alberto S. Cattaneo in the spring semester 2014. I want to thank Professor Cattaneo for giving me his notes from the lecture and also for corrections and remarks on it. I also want to mention that this script should only be notes, which give all the definitions and so on, in a compact way and should not replace the lecture. Not every detail is written in this script, so one should also either use another book on Classical Mechanics and read the script together with the book, or use the script parallel to a lecture on Classical Mechanics. This course also gives an introduction on smooth manifolds and combines the mathematical methods of differentiable manifolds with those of Classical Mechanics. Nima Moshayedi, January 7, 2016 3 4 Contents 1 From Newton's Laws to Lagrange's equations 9 1.1 Introduction . 9 1.2 Elements of Newtonian Mechanics . 9 1.2.1 Newton's Apple . 9 1.2.2 Energy Conservation . 10 1.2.3 Phase Space . 11 1.2.4 Newton's Vector Law . 11 1.2.5 Pendulum . 11 1.2.6 The Virial Theorem . 12 1.2.7 Use of Hamiltonian as a Differential equation . 13 1.2.8 Generic Structure of One-Degree-of-Freedom Systems . 13 1.3 Calculus of Variations . 14 1.3.1 Functionals and Variations . -
Classical Hamiltonian Field Theory
Classical Hamiltonian Field Theory Alex Nelson∗ Email: [email protected] August 26, 2009 Abstract This is a set of notes introducing Hamiltonian field theory, with focus on the scalar field. Contents 1 Lagrangian Field Theory1 2 Hamiltonian Field Theory2 1 Lagrangian Field Theory As with Hamiltonian mechanics, wherein one begins by taking the Legendre transform of the Lagrangian, in Hamiltonian field theory we \transform" the Lagrangian field treatment. So lets review the calculations in Lagrangian field theory. Consider the classical fields φa(t; x¯). We use the index a to indicate which field we are talking about. We should think of x¯ as another index, except it is continuous. We will use the confusing short hand notation φ for the column vector φ1; : : : ; φn. Consider the Lagrangian Z 3 L(φ) = L(φ, @µφ)d x¯ (1.1) all space where L is the Lagrangian density. Hamilton's principle of stationary action is still used to determine the equations of motion from the action Z S[φ] = L(φ, @µφ)dt (1.2) where we find the Euler-Lagrange equations of motion for the field d @L @L µ a = a (1.3) dx @(@µφ ) @φ where we note these are evil second order partial differential equations. We also note that we are using Einstein summation convention, so there is an implicit sum over µ but not over a. So that means there are n independent second order partial differential equations we need to solve. But how do we really know these are the correct equations? How do we really know these are the Euler-Lagrange equations for classical fields? We can obtain it directly from the action S by functional differentiation with respect to the field. -
Higher Order Geometric Theory of Information and Heat Based On
Article Higher Order Geometric Theory of Information and Heat Based on Poly-Symplectic Geometry of Souriau Lie Groups Thermodynamics and Their Contextures: The Bedrock for Lie Group Machine Learning Frédéric Barbaresco Department of Advanced Radar Concepts, Thales Land Air Systems, Voie Pierre-Gilles de Gennes, 91470 Limours, France; [email protected] Received: 9 August 2018; Accepted: 9 October; Published: 2 November 2018 Abstract: We introduce poly-symplectic extension of Souriau Lie groups thermodynamics based on higher-order model of statistical physics introduced by Ingarden. This extended model could be used for small data analytics and machine learning on Lie groups. Souriau geometric theory of heat is well adapted to describe density of probability (maximum entropy Gibbs density) of data living on groups or on homogeneous manifolds. For small data analytics (rarified gases, sparse statistical surveys, …), the density of maximum entropy should consider higher order moments constraints (Gibbs density is not only defined by first moment but fluctuations request 2nd order and higher moments) as introduced by Ingarden. We use a poly-sympletic model introduced by Christian Günther, replacing the symplectic form by a vector-valued form. The poly-symplectic approach generalizes the Noether theorem, the existence of moment mappings, the Lie algebra structure of the space of currents, the (non-)equivariant cohomology and the classification of G-homogeneous systems. The formalism is covariant, i.e., no special coordinates or coordinate systems on the parameter space are used to construct the Hamiltonian equations. We underline the contextures of these models, and the process to build these generic structures. We also introduce a more synthetic Koszul definition of Fisher Metric, based on the Souriau model, that we name Souriau-Fisher metric. -
Introduction to Legendre Transforms
Legendre transforms Mark Alford, 2019-02-15 1 Introduction to Legendre transforms If you know basic thermodynamics or classical mechanics, then you are already familiar with the Legendre transformation, perhaps without realizing it. The Legendre transformation connects two ways of specifying the same physics, via functions of two related (\conjugate") variables. Table 1 shows some examples of Legendre transformations in basic mechanics and thermodynamics, expressed in the standard way. Context Relationship Conjugate variables Classical particle H(p; x) = px_ − L(_x; x) p = @L=@x_ mechanics L(_x; x) = px_ − H(p; x)_x = @H=@p Gibbs free G(T;:::) = TS − U(S; : : :) T = @U=@S energy U(S; : : :) = TS − G(T;:::) S = @G=@T Enthalpy H(P; : : :) = PV + U(V; : : :) P = −@U=@V U(V; : : :) = −PV + H(P; : : :) V = @H=@P Grand Ω(µ, : : :) = −µN + U(n; : : :) µ = @U=@N potential U(n; : : :) = µN + Ω(µ, : : :) N = −@Ω=@µ Table 1: Examples of the Legendre transform relationship in physics. In classical mechanics, the Lagrangian L and Hamiltonian H are Legendre transforms of each other, depending on conjugate variablesx _ (velocity) and p (momentum) respectively. In thermodynamics, the internal energy U can be Legendre transformed into various thermodynamic potentials, with associated conjugate pairs of variables such as temperature-entropy, pressure-volume, and \chemical potential"-density. The standard way of talking about Legendre transforms can lead to contradictorysounding statements. We can already see this in the simplest example, the classical mechanics of a single particle, specified by the Legendre transform pair L(_x) and H(p) (we suppress the x dependence of each of them).