A Spectral Deferred Correction Method Applied to the Shallow Water Equations on a Sphere
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Simulation Methods in Physics 1
...script in development... Simulation Methods in Physics 1 Prof. Dr. Christian Holm Institute for Computational Physics University of Stuttgart WS 2012/2013 Contents 1 Introduction 3 1.1 Computer Science . 3 1.1.1 Historical developments . 3 1.1.2 TOP 500 Supercomputer list . 4 1.1.3 Moore's law (1970) . 5 1.2 Computer Simulations in Physics . 6 1.2.1 The New Trinity of Physics . 6 1.2.2 Optimization of simulation performance . 8 1.2.3 Optimization of simulation algorithms . 8 1.2.4 Computational approaches for different length scales . 9 2 Molecular Dynamics integrators 11 2.1 Principles of Molecular Dynamics . 11 2.1.1 Ergodicity . 11 2.2 Integration of equations of motion . 12 2.2.1 Algorithms . 12 2.2.2 Estimation of time step . 13 2.2.3 Verlet Algorithm . 13 2.2.4 Velocity Verlet Algorithm . 14 2.2.5 Leapfrog method . 15 2.2.6 Runge-Kutta method . 16 2.2.7 Predictor-Corrector methods . 17 2.2.8 Ljapunov-Characteristics . 17 3 Statistical mechanics - Quick & Dirty 20 3.1 Microstates . 20 3.1.1 Distribution functions . 20 3.1.2 Average values and thermodynamic limit . 22 3.2 Definition of Entropy and Temperature . 23 3.3 Boltzmann distribution . 24 3.3.1 Total energy and free energy . 25 3.4 Quantum mechanics and classcal partition functions . 26 3.5 Ensemble averages . 26 2 1 Introduction 1.1 Computer Science 1.1.1 Historical developments • The first calculating tool for performing arithmetic processes, the Abacus is used ∼ 1000 b.C. -
Numerical Integration
Game Physics Game and Media Technology Master Program - Utrecht University Dr. Nicolas Pronost Numerical Integration Updating position • Recall that 퐹푂푅퐶퐸 = 푀퐴푆푆 × 퐴퐶퐶퐸퐿퐸푅퐴푇퐼푂푁 – If we assume that the mass is constant then 퐹 푝표, 푡 = 푚 ∗ 푎(푝표, 푡) ′ ′ – We know that 푣 푡 = 푎(푡) and 푝표 푡 = 푣(푡) ′′ – So we have 퐹 푝표, 푡 = 푚 ∗ 푝표 (푡) • This is a differential equation – Well studied branch of mathematics – Often difficult to solve in real-time applications Game Physics 3 Taylor series • Taylor expansion series of a function can be applied on 푝0 at t + ∆푡 푝표 푡 + ∆푡 ∆푡2 = 푝 푡 + ∆t ∗ 푝 ′ 푡 + 푝 ′′ 푡 + ⋯ 표 표 2 표 ∆푡푛 + 푝 푛 푡 푛! 표 • But of course we don’t know the values of the entire infinite series, at best we have 푝표 푡 and the first two derivatives Game Physics 4 First order approximation • Hopefully, if ∆푡 is small enough, we can use an approximation ′ 푝표 푡 + ∆푡 ≈ 푝표 푡 + ∆t ∗ 푝표 푡 • Separating out position and velocity gives 퐹(푡) 푣 푡 + ∆푡 = 푣 푡 + 푎 푡 ∆푡 = 푣 푡 + ∆푡 푚 푝표(푡 + ∆푡) = 푝표(푡) + 푣(푡)∆푡 Game Physics 5 Euler’s method 5.1 • This is known as Euler’s method 푣 푡 + ∆푡 = 푣 푡 + 푎 푡 ∆푡 푝표(푡 + ∆푡) = 푝표(푡) + 푣(푡)∆푡 푣(푡 − ∆푡) 푡 푎(푡 − ∆푡) 푣(푡) 푡 + ∆푡 푣(푡) 푣(푡 + ∆푡) 푎(푡) Game Physics 6 Euler’s method • So by assuming the velocity is constant for the time ∆푡 elapsed between two frames – We compute the acceleration of the object from the net force applied on it 푎 푡 = 퐹(푡)/푚 – We compute the velocity from the acceleration 푣 푡 + ∆푡 = 푣 푡 + 푎 푡 ∆푡 – We compute the position from the velocity 푝표 푡 + ∆푡 = 푝표 푡 + 푣(푡)∆푡 Game Physics 7 Issues with linear dynamics • We only look at a sequence of instants without meaning – E.g. -
Numerical Methods for Fluid Dynamics
Texts in Applied Mathematics 32 Editors J.E. Marsden L. Sirovich S.S. Antman Advisors G. Iooss P. Holmes D. Barkley M. Dellnitz P. Newton For other titles published in this series, go to http://www.springer.com/series/1214 Dale R. Durran Numerical Methods for Fluid Dynamics With Applications to Geophysics Second Edition ABC Dale R. Durran University of Washington Department of Atmospheric Sciences Box 341640 Seattle, WA 98195-1640 USA [email protected] Series Editors J.E. Marsden L. Sirovich Control and Dynamical Systems, 107-81 Division of Applied Mathematics California Institute of Technology Brown University Pasadena, CA 91125 Providence, RI 02912 USA USA [email protected] [email protected] S.S. Antman Department of Mathematics and Institute for Physical Science and Technology University of Maryland College Park, MD 20742-4015 USA [email protected] ISSN 0939-2475 ISBN 978-1-4419-6411-3 e-ISBN 978-1-4419-6412-0 DOI 10.1007/978-1-4419-6412-0 Springer New York Dordrecht Heidelberg London Library of Congress Control Number: 2010934663 Mathematics Subject Classification (2010): 65-01, 65L04, 65L05, 65L06, 65L12, 65L20, 65M06, 65M08, 65M12, 65T50, 76-01, 76M10, 76M12, 76M22, 76M29, 86-01, 86-08 c Springer Science+Business Media, LLC 1999, 2010 All rights reserved. This work may not be translated or copied in whole or in part without the written permission of the publisher (Springer Science+Business Media, LLC, 233 Spring Street, New York, NY 10013, USA), except for brief excerpts in connection with reviews or scholarly analysis. Use in connection with any form of information storage and retrieval, electronic adaptation, computer software, or by similar or dissimilar methodology now known or hereafter developed is forbidden. -
A General Linear Method Approach to the Design and Optimization of Efficient, Accurate, and Easily Implemented Time-Stepping Methods in CFD
A general linear method approach to the design and optimization of efficient, accurate, and easily implemented time-stepping methods in CFD Victor DeCariaa,1,∗, Sigal Gottliebb, Zachary J. Granta,1, William J. Laytonc aOak Ridge National Laboratory, Computational and Applied Mathematics Group bMathematics Department, University of Massachusetts Dartmouth cDepartment of Mathematics, University of Pittsburgh Abstract In simulations of fluid motion time accuracy has proven to be elusive. We seek highly accurate methods with strong enough stability properties to deal with the richness of scales of many flows. These methods must also be easy to implement within current complex, possibly legacy codes. Herein we develop, analyze and test new time stepping methods addressing these two issues with the goal of accelerating the development of time accurate methods addressing the needs of applications. The new methods are created by introducing inexpensive pre-filtering and post-filtering steps to popular methods which have been implemented and tested within existing codes. We show that pre-filtering and post-filtering a multistep or multi-stage method results in new methods which have both multiple steps and stages: these are general linear methods (GLMs). We utilize the well studied properties of ∗Corresponding author Email addresses: [email protected] (Victor DeCaria), [email protected] (Sigal Gottlieb), [email protected] (Zachary J. Grant), [email protected] (William J. arXiv:2010.06360v1 [math.NA] 13 Oct 2020 Layton) 1This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05- 00OR22725 with the US Department of Energy (DOE). The US government retains and the publisher, by accepting the article for publication, acknowledges that the US govern- ment retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or repro- duce the published form of this manuscript, or allow others to do so, for US government purposes. -
Computational Astrophysics I: Introduction and Basic Concepts
Computational Astrophysics I: Introduction and basic concepts Helge Todt Astrophysics Institute of Physics and Astronomy University of Potsdam SoSe 2021, 3.6.2021 H. Todt (UP) Computational Astrophysics SoSe 2021, 3.6.2021 1 / 52 The (special) three-body problem H. Todt (UP) Computational Astrophysics SoSe 2021, 3.6.2021 2 / 52 The (special)y three-body problemI We will not solve the general case of the three-body problem, but consider only the following configuration (m1; m2 < M): y 2 d ~r1 GMm1 m2 m1 2 = − 3 ~r1 r dt r1 21 m1 Gm1m2 + 3 ~r21 (1) r21 r r 2 1 2 d ~r2 GMm2 m2 2 = − 3 ~r2 dt r2 Gm1m2 − 3 ~r21 (2) r21 M x y not to confuse with the restricted three-body problem, where m1 ≈ m2 m3 ! Lagrangian points, e.g, L1 for SOHO, L2 for JWST H. Todt (UP) Computational Astrophysics SoSe 2021, 3.6.2021 3 / 52 The (special)y three-body problemII It is useful to divide the Eqn. (1) & (2) each by m1 and m2 respectively: 2 d ~r1 GM Gm2 2 = − 3 ~r1 + 3 ~r21 (3) dt r1 r21 2 d ~r2 GM Gm1 2 = − 3 ~r2 − 3 ~r21 (4) dt r2 r21 Moreover we can set – using astronomical units – again: GM = 4π2 (5) The terms Gm2 Gm1 + 3 ~r21 & − 3 ~r21 (6) r21 r21 can be written with help of mass ratios m m 2 & − 1 (7) M M H. Todt (UP) Computational Astrophysics SoSe 2021, 3.6.2021 4 / 52 The (special)y three-body problem III so that m m ratio[0] = 2 GM & ratio[1] = − 1 GM (8) M M The accelerations are then calculated like this: dx = x[1] - x[0] .. -
Revision of Odes for Compphys
Revision of ODEs for CompPhys E July 16, 2013 Odinary Differential Equations ODEs are quite easy. Numerical Solutions thereto Solving ODEs numerically is necessarily a matter of approximation, since computers are not continuous machines but use discrete numbers, and they additionally cannot deal with arbitrary-precision numbers1 and so the whole integral has to be discretized. Both of these effects have a role to play in the deviation of the algorithm from the true value of the integral. We only need study 1st order ODEs We can decompose an arbitrarily high order differential equation into a system of first order ODEs to solve using the algorithms to follow. For example (n) (k) y = f(fy gk=0;:::;n−1; x) (1) can be manipulated into a series of first order equations by defining 0 0 y0 = y ; yk = yk+1; k = 0; :::; n − 2 (2) which gives us 0 y0 = y1 0 y1 = y2 ::: = ::: 0 yn−2 = yn−1 0 yn−1 = f(fykgk=0;:::;n−1; x) (3) In vector form, this is just y0 = f(y; x). Integration Algorithms Euler Method Euler's method is pretty dumb, but it gets the job done.2 1Well they obviously can if you want them to but the libraries are so slow they may as well not. 2Actually it doesn't. 1 Solution of y0 = −2:3y computed with the Euler method with step size h = 1 (blue squares) and h = 0:7 (red circles). The black curve shows the exact solution. The Euler method first order, which means that the local error (error per step) is proportional to the square of the step size, and the global error (error at a given time) is proportional to the step size.