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١
١
Principles of
MATHEMATICAL MODELING
Dr.A.Emamzadeh
aemamzadeh2004@yahoo.com
٢
Why Modeling?
 Fundamental and quantitative way to
understand and analyze complex systems
and phenomena
 Complement to Theory and Experiments,
and often Intergate them
 Becoming widespread in: Computational
Physics, Chemistry, Mechanics, Materials,
…, Biology
٢
٣
What are the goals of Modeling
studies?
 Appreciation of broad use of modeling
 Hands-on an experience with simulation
techniques
 Develop communication skills working
with practicing professionals
٤
Mathematical Modeling?
Mathematical modeling seeks to gain an
understanding of science through the use of
mathematical models on HP computers.
Mathematical modeling involves teamwork
٣
٥
Mathematical Modeling
Complements, but does not replace, theory
and experimentation in scientific research.
Experiment
Computation
Theory
٦
Mathematical Modeling
 Is often used in place of experiments
when experiments are too large, too
expensive, too dangerous, or too time
consuming.
 Can be useful in “what if” studies; e.g. to
investigate the use of pathogens (viruses,
bacteria) to control an insect population.
 Is a modern tool for scientific
investigation.
٤
٧
Mathematical Modeling
Has emerged as a powerful,
indispensable tool for studying a variety
of problems in scientific research,
product and process development, and
manufacturing.
•Geosciences
•Petroleum and Gas
•Seismology
•Climate modeling
• Economics
• Environment
• Material research
• Drug design
• Manufacturing
• Medicine
• Biology
Analyze - Predict
٨
Example: Industry 



 First jetliner to be digitally designed, pre-assembled on computer,
eliminating need for costly, full-scale mockup.
 Computational modeling improved the quality of work and reduced
changes, errors, and rework.
٥
٩
Example: Roadmaps of the
Human Brain
 Cortical regions activated as a
subject remembers the letters x and
r.
 Real-time Magnetic Resonance
Imaging (MRI) techno-logy may
soon be incorporated into
dedicated hardware bundled with
MRI scanners allowing the use of
MRI in drug evaluation, psychiatry,
 neurosurgical planning.
١٠
Example: Climate Modeling
 3-D shaded relief
representation of a
portion of PA using color
to show max daily
temperatures.
 Displaying multiple data
sets at once helps users
quickly explore and
analyze their data.
٦
١١
Petroleum
Engineering
Highly Integrated
Highly Integrated
Multidisciplinary, Multiscale, Multiprocess
Multidisciplinary, Multiscale, Multiprocess
Geological
Eng.
Geology
Physics
Mathematics
Mining
Engineering
Mechanical
Engineering
Computer
Sciences
Geochemistry
Geophysics
Geomechanics
GeoHydrology
Civil
Engineering
Exploration
Characterization
Fluid Flow
Waste
isolation
Earth Stresses
Mechanical
Rock/Soil
Behavior
Mining Design/
Stab, Waste,
Land Reclamation
Exploration
Characterization
Diagnostics
Hydrocarbon
Recovery
Simulation
Construction
Soil Mech.
Rock Mech.
Struct. Anal.
Drilling  Excav.,
Support, Instruments
Code Development,
Software Engineering
Waste isolation
Geomechanics
١٢
FD  FEM Couplings: 3 Blocks with Fault
٧
١٣
Solution
١٤
١٤
Prediction Future performance
History Matching
Prediction
Geological Model
Reservoir Simulation Model
Reduce Operation Expenses
Increase Recovery
٨
١٥ ١٥
Gridding
 Honor geology
 Preserve numerical
accuracy
 Be easy to generate
Gurpinar, 2001
Castellini, 2001
Wolfsteiner et al., 2002
Prevost 2003
Khalid Aziz, Petroleum reservoir simulation
١٦
١٦
Upscaling
 Optimum level of
and techniques
for upscaling to
minimize errors
Gurpinar, 2001
Khalid Aziz, Petroleum reservoir simulation
٩
١٧
Geology
www.lonestarsecurities.com
١٨
Oil and Gas Reservoir
www.geoscape.nrcan.gc.ca
١٠
١٩
Petroleum Reservoir Modeling
www.halliburton.com
٢٠
Reservoir Modeling Process
www.beicip-inc.com
Well Data:
Core, Logs
Seismic Data
Fluid Data
Rock Data
Upscalling
Simulation
Model
Well Data
+
Oil/Gas/Water
Production
Geologic
Model
١١
٢١
Mathematical Modeling Process
٢٢
Real World Problem
Identify Real-World Problem:
 Perform background research,
focus on a workable problem.
 Conduct investigations (Labs), if
appropriate.
 Learn the use of a computational tool: Maple,
Matlab, Mathematica, Excel, Java.
Understand current activity and predict future
behavior.
١٢
٢٣
Modeling Process
Real World Data Mathematical Model
Prediction/Explanation Mathematical Conclusion
Simplification
Interpretation
Analysis
Verification
٢٤
Example: Falling Rock
Determine the motion of a rock dropped from
height, H, above the ground with initial
velocity, V.
A discrete model: Find the position and
velocity of the rock above the ground at the
equally spaced times, t0, t1, t2, …; e.g. t0 = 0
sec., t1 = 1 sec., t2 = 2 sec., etc.
|______|______|____________|______
t0 t1 t2 … tn
١٣
٢٥
Working Model
Simplify  Working Model:
Identify and select factors to
describe important aspects of
Real World Problem; determine
those factors that can be neglected.
 State simplifying assumptions.
 Determine governing principles, physical laws.
 Identify model variables and inter-
relationships.
٢٦
Example: Falling Rock
 Governing principles: d = v*t and v = a*t.
 Simplifying assumptions:
 Gravity is the only force acting on the body.
 Flat earth.
 No drag (air resistance).
 Model variables are H,V, g; t, x, and v
 Rock’s position and velocity above the ground
will be modeled at discrete times (t0, t1, t2, …)
until rock hits the ground.
١٤
٢٧
Mathematical Model
Represent 


 Mathematical
Model: Express the Working
Model in mathematical terms;
write down mathematical equa-
tions whose solution describes
the Working Model.
In general, the success of a mathematical model
depends on how easy it is to use and how accurately
it predicts.
٢٨
Typical Relation Between
Variables
 Proportionality
 Two Variables x and y are proportional (to each
other) of one is always a constant multiple of
the order: x=c*y or x/y=c
We now discuss an example from the reference textbook,
the spring and mass system. This will be only “traditional”
example that will be discussed in this course. We will use
instead, more intuitive examples from image analysis (and
other related ones that use some important techniques of
machine learning).
١٥
٢٩
Spring Mass
 Find the relation between the elongation of the spring
and the mass attached to it (see the figure on the
right)
 Real World Data: (mass, elongation)
(50,1.000), (100,1.875), (150,2.750), …
 Visualization:
plot these points
 Name the Variables: m – mass, e – elongation
 Simplification: e is proportional to m, e=c*m
 Modeling: find (estimate) the constant c
 Interpretation and verification: plot and see if the line
is “close” to the points
٣٠
Example: Falling Rock
v0 v1 v2 … vn
x0 x1 x2 … xn
|______|______|____________|_____
t0 t1 t2 … tn
t0 = 0; x0 = H; v0 = V

t1= t0 + ∆t
x1= x0 + (v0*∆t)
v1= v0 - (g*∆t)
t2= t1 + ∆t
x2= x1 + (v1*∆t)
v2= v1 - (g*∆t)
…
١٦
٣١
Computational Model
Translate  Computational Model:
Change Model into a form suitable
for computational solution.
 Existence of unique solution
 Choice of the numerical method
 Choice of the algorithm
 Software
٣٢
Computational Model
Translate  Computational
Model: Change Mathema-
tical Model into a form suit-
able for computational solution.
Computational models include software such as
Maple, Matlab, Maple, Excel, or Mathematica, or
languages such as Fortran, C, C++, or Java.
١٧
٣٣
Example: Falling Rock
Pseudo Code
Input
V, initial velocity; H, initial height
g, acceleration due to gravity
Δt, time step; imax, maximum number of
steps
Output
ti, t-value at time step i
xi, height at time ti
vi, velocity at time ti
٣٤
Example: Falling Rock
Initialize
Set ti = t0 = 0; vi = v0 = V; xi = x0 = H
print ti, xi, vi
Time stepping: i = 1, imax
Set ti = ti + Δt
Set xi = xi + vi*Δt
Set vi = vi - g*Δt
print ti, xi, vi
if (xi = 0), Set xi = 0; quit
١٨
٣٥
Results/Conclusions
Simulate 


 Results/Conclusions:
Run “Computational Model”
to obtain Results; draw Conclusions.
 Verify your computer program; use check
cases; explore ranges of validity.
 Graphs, charts, and other visualization tools
are useful in summarizing results and drawing
conclusions.
٣٦
Falling Rock: Model
١٩
٣٧
Real World Problem
Interpret Conclusions:
Compare with Real World Problem
behavior.
 If model results do not “agree” with physical reality or
experimental data, reexamine the Working Model
(relax assumptions) and repeat modeling steps.
 Often, the modeling process proceeds through several
iterations until model is “acceptable”.
٣٨
Example: Falling Rock
 To create a more realistic model of a
falling rock, some of the simplifying
assumptions could be dropped; e.g.,
incor-porate drag - depends on shape of
the rock, is proportional to velocity.
 Improve discrete model:
 Approximate velocities in the midpoint of
time intervals instead of the beginning.
 Reduce the size of Δt.
٢٠
٣٩
Mathematical Modeling Process
٤٠
Structure of the course
 Principles of modeling (file: introduction-principles.ppt)
 Basic numerical methods:
 Root finding
 Interpolation
 Least square methods
 Numerical quadratures
 ODE’s
 PDE’s
٢١
٤١
Reference
 Maple, Matlab, …
 Chapra  Canale: Numerical Methods for
Engineers
 Klamkin: Mathematical Modeling

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Mathematical Modeling

  • 1. ١ ١ Principles of MATHEMATICAL MODELING Dr.A.Emamzadeh aemamzadeh2004@yahoo.com ٢ Why Modeling? Fundamental and quantitative way to understand and analyze complex systems and phenomena Complement to Theory and Experiments, and often Intergate them Becoming widespread in: Computational Physics, Chemistry, Mechanics, Materials, …, Biology
  • 2. ٢ ٣ What are the goals of Modeling studies? Appreciation of broad use of modeling Hands-on an experience with simulation techniques Develop communication skills working with practicing professionals ٤ Mathematical Modeling? Mathematical modeling seeks to gain an understanding of science through the use of mathematical models on HP computers. Mathematical modeling involves teamwork
  • 3. ٣ ٥ Mathematical Modeling Complements, but does not replace, theory and experimentation in scientific research. Experiment Computation Theory ٦ Mathematical Modeling Is often used in place of experiments when experiments are too large, too expensive, too dangerous, or too time consuming. Can be useful in “what if” studies; e.g. to investigate the use of pathogens (viruses, bacteria) to control an insect population. Is a modern tool for scientific investigation.
  • 4. ٤ ٧ Mathematical Modeling Has emerged as a powerful, indispensable tool for studying a variety of problems in scientific research, product and process development, and manufacturing. •Geosciences •Petroleum and Gas •Seismology •Climate modeling • Economics • Environment • Material research • Drug design • Manufacturing • Medicine • Biology Analyze - Predict ٨ Example: Industry First jetliner to be digitally designed, pre-assembled on computer, eliminating need for costly, full-scale mockup. Computational modeling improved the quality of work and reduced changes, errors, and rework.
  • 5. ٥ ٩ Example: Roadmaps of the Human Brain Cortical regions activated as a subject remembers the letters x and r. Real-time Magnetic Resonance Imaging (MRI) techno-logy may soon be incorporated into dedicated hardware bundled with MRI scanners allowing the use of MRI in drug evaluation, psychiatry, neurosurgical planning. ١٠ Example: Climate Modeling 3-D shaded relief representation of a portion of PA using color to show max daily temperatures. Displaying multiple data sets at once helps users quickly explore and analyze their data.
  • 6. ٦ ١١ Petroleum Engineering Highly Integrated Highly Integrated Multidisciplinary, Multiscale, Multiprocess Multidisciplinary, Multiscale, Multiprocess Geological Eng. Geology Physics Mathematics Mining Engineering Mechanical Engineering Computer Sciences Geochemistry Geophysics Geomechanics GeoHydrology Civil Engineering Exploration Characterization Fluid Flow Waste isolation Earth Stresses Mechanical Rock/Soil Behavior Mining Design/ Stab, Waste, Land Reclamation Exploration Characterization Diagnostics Hydrocarbon Recovery Simulation Construction Soil Mech. Rock Mech. Struct. Anal. Drilling Excav., Support, Instruments Code Development, Software Engineering Waste isolation Geomechanics ١٢ FD FEM Couplings: 3 Blocks with Fault
  • 7. ٧ ١٣ Solution ١٤ ١٤ Prediction Future performance History Matching Prediction Geological Model Reservoir Simulation Model Reduce Operation Expenses Increase Recovery
  • 8. ٨ ١٥ ١٥ Gridding Honor geology Preserve numerical accuracy Be easy to generate Gurpinar, 2001 Castellini, 2001 Wolfsteiner et al., 2002 Prevost 2003 Khalid Aziz, Petroleum reservoir simulation ١٦ ١٦ Upscaling Optimum level of and techniques for upscaling to minimize errors Gurpinar, 2001 Khalid Aziz, Petroleum reservoir simulation
  • 10. ١٠ ١٩ Petroleum Reservoir Modeling www.halliburton.com ٢٠ Reservoir Modeling Process www.beicip-inc.com Well Data: Core, Logs Seismic Data Fluid Data Rock Data Upscalling Simulation Model Well Data + Oil/Gas/Water Production Geologic Model
  • 11. ١١ ٢١ Mathematical Modeling Process ٢٢ Real World Problem Identify Real-World Problem: Perform background research, focus on a workable problem. Conduct investigations (Labs), if appropriate. Learn the use of a computational tool: Maple, Matlab, Mathematica, Excel, Java. Understand current activity and predict future behavior.
  • 12. ١٢ ٢٣ Modeling Process Real World Data Mathematical Model Prediction/Explanation Mathematical Conclusion Simplification Interpretation Analysis Verification ٢٤ Example: Falling Rock Determine the motion of a rock dropped from height, H, above the ground with initial velocity, V. A discrete model: Find the position and velocity of the rock above the ground at the equally spaced times, t0, t1, t2, …; e.g. t0 = 0 sec., t1 = 1 sec., t2 = 2 sec., etc. |______|______|____________|______ t0 t1 t2 … tn
  • 13. ١٣ ٢٥ Working Model Simplify Working Model: Identify and select factors to describe important aspects of Real World Problem; determine those factors that can be neglected. State simplifying assumptions. Determine governing principles, physical laws. Identify model variables and inter- relationships. ٢٦ Example: Falling Rock Governing principles: d = v*t and v = a*t. Simplifying assumptions: Gravity is the only force acting on the body. Flat earth. No drag (air resistance). Model variables are H,V, g; t, x, and v Rock’s position and velocity above the ground will be modeled at discrete times (t0, t1, t2, …) until rock hits the ground.
  • 14. ١٤ ٢٧ Mathematical Model Represent Mathematical Model: Express the Working Model in mathematical terms; write down mathematical equa- tions whose solution describes the Working Model. In general, the success of a mathematical model depends on how easy it is to use and how accurately it predicts. ٢٨ Typical Relation Between Variables Proportionality Two Variables x and y are proportional (to each other) of one is always a constant multiple of the order: x=c*y or x/y=c We now discuss an example from the reference textbook, the spring and mass system. This will be only “traditional” example that will be discussed in this course. We will use instead, more intuitive examples from image analysis (and other related ones that use some important techniques of machine learning).
  • 15. ١٥ ٢٩ Spring Mass Find the relation between the elongation of the spring and the mass attached to it (see the figure on the right) Real World Data: (mass, elongation) (50,1.000), (100,1.875), (150,2.750), … Visualization: plot these points Name the Variables: m – mass, e – elongation Simplification: e is proportional to m, e=c*m Modeling: find (estimate) the constant c Interpretation and verification: plot and see if the line is “close” to the points ٣٠ Example: Falling Rock v0 v1 v2 … vn x0 x1 x2 … xn |______|______|____________|_____ t0 t1 t2 … tn t0 = 0; x0 = H; v0 = V t1= t0 + ∆t x1= x0 + (v0*∆t) v1= v0 - (g*∆t) t2= t1 + ∆t x2= x1 + (v1*∆t) v2= v1 - (g*∆t) …
  • 16. ١٦ ٣١ Computational Model Translate Computational Model: Change Model into a form suitable for computational solution. Existence of unique solution Choice of the numerical method Choice of the algorithm Software ٣٢ Computational Model Translate Computational Model: Change Mathema- tical Model into a form suit- able for computational solution. Computational models include software such as Maple, Matlab, Maple, Excel, or Mathematica, or languages such as Fortran, C, C++, or Java.
  • 17. ١٧ ٣٣ Example: Falling Rock Pseudo Code Input V, initial velocity; H, initial height g, acceleration due to gravity Δt, time step; imax, maximum number of steps Output ti, t-value at time step i xi, height at time ti vi, velocity at time ti ٣٤ Example: Falling Rock Initialize Set ti = t0 = 0; vi = v0 = V; xi = x0 = H print ti, xi, vi Time stepping: i = 1, imax Set ti = ti + Δt Set xi = xi + vi*Δt Set vi = vi - g*Δt print ti, xi, vi if (xi = 0), Set xi = 0; quit
  • 18. ١٨ ٣٥ Results/Conclusions Simulate Results/Conclusions: Run “Computational Model” to obtain Results; draw Conclusions. Verify your computer program; use check cases; explore ranges of validity. Graphs, charts, and other visualization tools are useful in summarizing results and drawing conclusions. ٣٦ Falling Rock: Model
  • 19. ١٩ ٣٧ Real World Problem Interpret Conclusions: Compare with Real World Problem behavior. If model results do not “agree” with physical reality or experimental data, reexamine the Working Model (relax assumptions) and repeat modeling steps. Often, the modeling process proceeds through several iterations until model is “acceptable”. ٣٨ Example: Falling Rock To create a more realistic model of a falling rock, some of the simplifying assumptions could be dropped; e.g., incor-porate drag - depends on shape of the rock, is proportional to velocity. Improve discrete model: Approximate velocities in the midpoint of time intervals instead of the beginning. Reduce the size of Δt.
  • 20. ٢٠ ٣٩ Mathematical Modeling Process ٤٠ Structure of the course Principles of modeling (file: introduction-principles.ppt) Basic numerical methods: Root finding Interpolation Least square methods Numerical quadratures ODE’s PDE’s
  • 21. ٢١ ٤١ Reference Maple, Matlab, … Chapra Canale: Numerical Methods for Engineers Klamkin: Mathematical Modeling