Given by Geoffrey C. Fox at CPS615 Basic Simulation Track for Computational Science on Fall Semester 95. Foils prepared 10 November 1995
Outside Index
Summary of Material
This presentation gives the application perspective on PDE's and their role in simulation compared to particle dynamics and Monte Carlo Methods |
We derive Navier Stokes equations and discuss immense computational requirements needed in aerospace simulations |
The importance of small viscosity and emergence of boundary layers is discussed |
Approximations used in practical CFD such as Euler's equation and Reynold's averaging are presented |
Outside Index Summary of Material
Geoffrey Fox |
NPAC |
Syracuse University |
111 College Place |
Syracuse NY 13244-4100 |
This presentation gives the application perspective on PDE's and their role in simulation compared to particle dynamics and Monte Carlo Methods |
We derive Navier Stokes equations and discuss immense computational requirements needed in aerospace simulations |
The importance of small viscosity and emergence of boundary layers is discussed |
Approximations used in practical CFD such as Euler's equation and Reynold's averaging are presented |
Quantum Physics |
Particle Dynamics |
Statistical Physics |
Continuum Physics
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General Relativity and Quantum Gravity
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This is a fundamental description of the microscopic world. You would in principle use it to describe everything but this is both unnecessary and too difficult both computationally and analytically. |
Quantum Physics problems are typified by Quantum Chromodynamics (QCD) calculations and these end up looking identical to statistical physics problems numerically. There are also some chemistry problems where quantum effects are important. These give rise to several types of algorithms.
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Quantum effects are only important at small distances (10-13 cms for the so called strong or nuclear forces, 10-8 cm for electromagnetically interacting particles). |
Often these short distance effects are unimportant and it is sufficient to treat physics classically. Then all matter is made up of particles - which are selected from set of atoms (electrons etc.). |
The most well known problems of this type come from biochemistry. Here we study biologically interesting proteins which are made up of some 10,000 to 100,000 atoms. We hope to understand the chemical basis of life or more practically find which proteins are potentially interesting drugs. |
Particles each obey Newton's Law and study of proteins generalizes the numerical formulation of the study of the solar system where the sun and planets are evolved in time as defined by Gravity's Force Law |
Astrophysics has several important particle dynamics problems where new particles are not atoms but rather stars, clusters of stars, galaxies or clusters of galaxies. |
The numerical algorithm is similar but there is an important new approach because we have a lot of particles (currently over N=107) and all particles interact with each other. |
This naively has a computational complexity of O(N2) at each time step but a clever numerical method reduces it to O(N) or O (NlogN). |
Physics problems addressed include:
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Large systems reach equilibrium and ensemble properties (temperature, pressure, specific heat, ...) can be found statistically. This is essentially law of large numbers (central limit theorem). |
The resultant approach moves particles "randomly" asccording to some probability and NOT deterministically as in Newton's laws |
Many properties of particle systems can be calculated either by Monte Carlo or by Particle Dynamics. Monte Carlo is harder as cannot evolve particles independently. |
This can lead to (soluble!) difficulties in parallel algorithms as lack of independence implies that synchronization issues. |
Many quantum systems treated just like statistical physics as quantum theory built on probability densities |
Replace particle description by average. 1023 molecules in a molar volume is too many to handle numerically. So divide full system into a large number of "small" volumes dV such that:
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In principle, use statistical physics (or Particle Dynamics averaged as "Transport Equations") to describe volume dV in terms of macroscopic (ensemble) properties for volume |
Volume size = dV must be small enough so macroscopic properties are indeed constant; dV must be large enough so can average over molecular motion to define properties
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Computational Fluid Dynamics is dominant numerical field for Continuum Physics |
There are a set of partial differential equations which cover
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We apply computational "fluid" dynamics most often to a gas - air. Gases are really particles |
But if a small number (<106) of particles, use "molecular dynamics" and if a large number (1023) use computational fluid dynamics. |
There are other equations describing "Energy" which involve
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and final equation is Equation of state
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Features of Navier-Stokes Equations
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You solve these problems by discretizing mesh in x, y and z. |
Typically one might imagine some 100 points in each dimension. |
i.e. 106 grid points in three dimensions |
Flow Simulation ( Reynolds Averaged Approximation ):
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Proof of concept 1000-->100 0.3-->3
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Automated Design 0.1-->0.01 3000-->30,000 |
System No. Proc. Time/Iter.(secs) MFLOPS (Y-MP) |
Y-MP 1 1.73 246
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iPSC/860 64 3.05 139
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CM-2 8K 5.23 82
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System No. Proc. Time/Iter.(secs) MFLOPS (Y-MP) |
Y-MP 1 1.18 250
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iPSC/860 64 2.42 122 |
CM-2 8K 9.75 30
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System No. Proc. Time/Iter.(secs) MFLOPS (Y-MP) |
Y-MP 1 3.96 224
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iPSC/860 64 4.54 199 |
CM-2 16K 16.64 54
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Structural Dynamics |
modal analysis x1 x2 |
FEM analysis x2 x2 |
thermal analysis x2 x2 |
Propulsion |
inlet/nozzle simulation x2 x2 |
engine performance deck x2 x2 |
combusion model, e.g. scamjet x4 x10-100 |
turbojet engine (full sim.) x10-100 x10-100 |
Controls |
control law integration x1 x1 |
control surface aerodynamics x2 x2 |
thrust vector control x2 x2 |
control jets x2 x2 |
Acoustics x10 x10 |
Numerical Optimization Design x2 x10-100 |
Base CFD 200 60 |
Structural |
thermal analysis X2 X2 |
Propulsion |
inlet/nozzle simulations X2 X2 |
engine performance deck X2 X2 |
Controls |
control law integration X1 X1 |
thrust vector control X2 X2
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What sort of equations does CFD give ? |
Put x component of velocity u = v x |
and let r be density and p pressure |
Take the case of incompressible flow where the density of fluid is constant |
r ¶u/ ¶t + r ( v .Ñ) u = - ¶p/ ¶x + m Ñ 2u |
Make dimensionless with scaling transformations |
x ® x / L |
t ® t / T |
v ® v / V |
u ® u / V |
p ® p / ( r V2 ) |
Viscosity is "resistance" to flow
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Various Limits
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(from Hirsch, Numerical Computation of Internal and External Flows, Wiley) |
Eddy's, vortices etc produced in otherwise smooth flow. Happens near boundaries but vortices can be created at boundary but move off into "fluid volume". |
when viscosity m = 0 |
Boundary condition is that velocity must // to surface |
when m is nonzero |
Boundary condition is full v = 0 at surface (parallel and perpendicular components zero) |
Note: As equation goes from first to second order when m = 0, need an extra boundary condition |
Very small length scales dL are present in "turbulent regions" maybe need to resolve a size |
dL ~ 10-3L |
If dL covered by 10 grid points then leads to 104 grid points in each linear dimension L which is impossible |
So "average" over fine length scales (~10-3 cm) and write a new set of macroscopic equations. |
Note: We have already averaged to get Navier-Stokes. There we used "fundamental physics" and 10-8 cm basic dL. ( actually this "fundamental average" averages over quantum effects over length scales of 10-13 cm ) |
So Reynolds averaging is a "new average" |
The Reynolds averaged equations need TURBULENCE MODELING done by mix of the theoretical analysis and experimental observations. |
The Reynolds Averaging Procedure at its simplest gives back the Navier-Stokes Equations with changed parameters (such as viscosity) and additional external force terms. These are estimated by turbulence modelling. The most sophisticated treatments add one or two additional differential equations to be solved. |
When R is large (small m) and quantities vary slowly (far from "aircraft"), then we can use Euler equations which put m=0 in Navier-Stokes equation. |
Even these equations are nontrival and can be either be elliptic or parabolic |
Euler's equations can lead to potential flow because |
Inviscid Euler Equation outside boundary layer |
Calculation of Drag - needed by aircraft manufacturers such as Boeing to maximize speed and fuel efficiency of aircraft. Requires understanding of boundary layer as this governs force on aircraft ! |
Either "direct simulation of turbulence" (i.e. full Navier-Stokes equations) or accurate approximate (i.e. model turbulence) methods are needed. |
At present
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These are derived from full NS (Navier-Stokes) equations with a set of approximations.
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PNS drops ¶/¶(flow direction) viscous stress terms |
TLNS drops these derivatives in both surface directions |
Viscous Burger's Equation |
Inviscid Burger's Equation |
The appropriate approximation scheme clearly requires sophisticated expertise. Also a given problem could well imply mixing different solution methods and joining them at boundary. Here the physicist must be involved. The computational scientist needs to provide physicists with a set of "tools"
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This is the PDE Toolkit or Problem Solving Environment which we are trying to develop for CFD and Numerical Relativity as part of NSF Grand Challenge |
Method of Discretization
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Grid Generation |
Solvers:
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