Classical Problems in Calculus of Variations and Optimal Control
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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. -
Leibniz's Differential Calculus Applied to the Catenary
Leibniz’s differential calculus applied to the catenary Olivier Keller, agrégé in mathematics, PhD (EHESS) Study of the catenary was a response to a challenge laid down by Jacques Bernoulli, and which was successfully met by Leibniz as well as by Jean Bernoulli and Huygens: to find the curve described by a piece of strung suspended from its two ends. Stimulated by the success of this initial research, Jean Bernoulli put forward and solved similar problems: the form taken by a horizontal blade immobilised on one side, with a weight attached to the other; the form taken by a piece of linen filled with liqueur; the curve of a sail. Challenges among scholars In the 17th century, it was customary for scholars to set each other challenges in alternate issues of journals. Leibniz, for example, challenged the Cartesians – as part of the controversy surrounding the laws of collision, known as the “querelle des forces vives” (vis viva controversy) – to find the curve down which a body falls at constant vertical velocity (isochrone curve). Put forward in the Nouvelle République des Lettres of September 1687, this problem received Huygens’ solution in October of the same year, while Leibniz’s appeared in 1689 in the journal he had created, the Acta Eruditorum. Another famous example is that of the brachistochrone, or the “curve of the fastest descent”, which, thanks to the new differential calculus, proved to be not a circle, as Galileo had believed, but a cycloid: the challenge had been set by Jean Bernoulli in the Acta Eruditorum in June 1696, and was resolved by Leibniz in May 1697. -
Covariant Hamiltonian Field Theory 3
December 16, 2020 2:58 WSPC/INSTRUCTION FILE kfte COVARIANT HAMILTONIAN FIELD THEORY JURGEN¨ STRUCKMEIER and ANDREAS REDELBACH GSI Helmholtzzentrum f¨ur Schwerionenforschung GmbH Planckstr. 1, 64291 Darmstadt, Germany and Johann Wolfgang Goethe-Universit¨at Frankfurt am Main Max-von-Laue-Str. 1, 60438 Frankfurt am Main, Germany [email protected] Received 18 July 2007 Revised 14 December 2020 A consistent, local coordinate formulation of covariant Hamiltonian field theory is pre- sented. Whereas the covariant canonical field equations are equivalent to the Euler- Lagrange field equations, the covariant canonical transformation theory offers more gen- eral means for defining mappings that preserve the form of the field equations than the usual Lagrangian description. It is proved that Poisson brackets, Lagrange brackets, and canonical 2-forms exist that are invariant under canonical transformations of the fields. The technique to derive transformation rules for the fields from generating functions is demonstrated by means of various examples. In particular, it is shown that the infinites- imal canonical transformation furnishes the most general form of Noether’s theorem. We furthermore specify the generating function of an infinitesimal space-time step that conforms to the field equations. Keywords: Field theory; Hamiltonian density; covariant. PACS numbers: 11.10.Ef, 11.15Kc arXiv:0811.0508v6 [math-ph] 15 Dec 2020 1. Introduction Relativistic field theories and gauge theories are commonly formulated on the basis of a Lagrangian density L1,2,3,4. The space-time evolution of the fields is obtained by integrating the Euler-Lagrange field equations that follow from the four-dimensional representation of Hamilton’s action principle. -
Introduction to the Modern Calculus of Variations
MA4G6 Lecture Notes Introduction to the Modern Calculus of Variations Filip Rindler Spring Term 2015 Filip Rindler Mathematics Institute University of Warwick Coventry CV4 7AL United Kingdom [email protected] http://www.warwick.ac.uk/filiprindler Copyright ©2015 Filip Rindler. Version 1.1. Preface These lecture notes, written for the MA4G6 Calculus of Variations course at the University of Warwick, intend to give a modern introduction to the Calculus of Variations. I have tried to cover different aspects of the field and to explain how they fit into the “big picture”. This is not an encyclopedic work; many important results are omitted and sometimes I only present a special case of a more general theorem. I have, however, tried to strike a balance between a pure introduction and a text that can be used for later revision of forgotten material. The presentation is based around a few principles: • The presentation is quite “modern” in that I use several techniques which are perhaps not usually found in an introductory text or that have only recently been developed. • For most results, I try to use “reasonable” assumptions, not necessarily minimal ones. • When presented with a choice of how to prove a result, I have usually preferred the (in my opinion) most conceptually clear approach over more “elementary” ones. For example, I use Young measures in many instances, even though this comes at the expense of a higher initial burden of abstract theory. • Wherever possible, I first present an abstract result for general functionals defined on Banach spaces to illustrate the general structure of a certain result. -
ON the BRACHISTOCHRONE PROBLEM 1. Introduction. The
ON THE BRACHISTOCHRONE PROBLEM OLEG ZUBELEVICH STEKLOV MATHEMATICAL INSTITUTE OF RUSSIAN ACADEMY OF SCIENCES DEPT. OF THEORETICAL MECHANICS, MECHANICS AND MATHEMATICS FACULTY, M. V. LOMONOSOV MOSCOW STATE UNIVERSITY RUSSIA, 119899, MOSCOW, MGU [email protected] Abstract. In this article we consider different generalizations of the Brachistochrone Problem in the context of fundamental con- cepts of classical mechanics. The correct statement for the Brachis- tochrone problem for nonholonomic systems is proposed. It is shown that the Brachistochrone problem is closely related to vako- nomic mechanics. 1. Introduction. The Statement of the Problem The article is organized as follows. Section 3 is independent on other text and contains an auxiliary ma- terial with precise definitions and proofs. This section can be dropped by a reader versed in the Calculus of Variations. Other part of the text is less formal and based on Section 3. The Brachistochrone Problem is one of the classical variational prob- lems that we inherited form the past centuries. This problem was stated by Johann Bernoulli in 1696 and solved almost simultaneously by him and by Christiaan Huygens and Gottfried Wilhelm Leibniz. Since that time the problem was discussed in different aspects nu- merous times. We do not even try to concern this long and celebrated history. 2000 Mathematics Subject Classification. 70G75, 70F25,70F20 , 70H30 ,70H03. Key words and phrases. Brachistochrone, vakonomic mechanics, holonomic sys- tems, nonholonomic systems, Hamilton principle. The research was funded by a grant from the Russian Science Foundation (Project No. 19-71-30012). 1 2 OLEG ZUBELEVICH This article is devoted to comprehension of the Brachistochrone Problem in terms of the modern Lagrangian formalism and to the gen- eralizations which such a comprehension involves. -
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). -
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 . -
UTOPIAE Optimisation and Uncertainty Quantification CPD for Teachers of Advanced Higher Physics and Mathematics
UTOPIAE Optimisation and Uncertainty Quantification CPD for Teachers of Advanced Higher Physics and Mathematics Outreach Material Peter McGinty Annalisa Riccardi UTOPIAE, UNIVERSITY OF STRATHCLYDE GLASGOW - UK This research was funded by the European Commission’s Horizon 2020 programme under grant number 722734 First release, October 2018 Contents 1 Introduction ....................................................5 1.1 Who is this for?5 1.2 What are Optimisation and Uncertainty Quantification and why are they im- portant?5 2 Optimisation ...................................................7 2.1 Brachistochrone problem definition7 2.2 How to solve the problem mathematically8 2.3 How to solve the problem experimentally 10 2.4 Examples of Brachistochrone in real life 11 3 Uncertainty Quantification ..................................... 13 3.1 Probability and Statistics 13 3.2 Experiment 14 3.3 Introduction of Uncertainty 16 1. Introduction 1.1 Who is this for? The UTOPIAE Network is committed to creating high quality engagement opportunities for the Early Stage Researchers working within the network and also outreach materials for the wider academic community to benefit from. Optimisation and Uncertainty Quantification, whilst representing the future for a large number of research fields, are relatively unknown disciplines and yet the benefit and impact they can provide for researchers is vast. In order to try to raise awareness, UTOPIAE has created a Continuous Professional Development online resource and training sessions aimed at teachers of Advanced Higher Physics and Mathematics, which is in line with Scotland’s Curriculum for Excellence. Sup- ported by the Glasgow City Council, the STEM Network, and Scottish Schools Education Resource Centre these materials have been published online for teachers to use within a classroom context. -
A Tale of the Cycloid in Four Acts
A Tale of the Cycloid In Four Acts Carlo Margio Figure 1: A point on a wheel tracing a cycloid, from a work by Pascal in 16589. Introduction In the words of Mersenne, a cycloid is “the curve traced in space by a point on a carriage wheel as it revolves, moving forward on the street surface.” 1 This deceptively simple curve has a large number of remarkable and unique properties from an integral ratio of its length to the radius of the generating circle, and an integral ratio of its enclosed area to the area of the generating circle, as can be proven using geometry or basic calculus, to the advanced and unique tautochrone and brachistochrone properties, that are best shown using the calculus of variations. Thrown in to this assortment, a cycloid is the only curve that is its own involute. Study of the cycloid can reinforce the curriculum concepts of curve parameterisation, length of a curve, and the area under a parametric curve. Being mechanically generated, the cycloid also lends itself to practical demonstrations that help visualise these abstract concepts. The history of the curve is as enthralling as the mathematics, and involves many of the great European mathematicians of the seventeenth century (See Appendix I “Mathematicians and Timeline”). Introducing the cycloid through the persons involved in its discovery, and the struggles they underwent to get credit for their insights, not only gives sequence and order to the cycloid’s properties and shows which properties required advances in mathematics, but it also gives a human face to the mathematicians involved and makes them seem less remote, despite their, at times, seemingly superhuman discoveries. -
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).