ML3402 COMPUTER APPLICATIONS IN MATERIALS SCIENCE SYLLABUS | ANNA UNIVERSITY BE MATERIALS SCIENCE AND ENGINEERING 7TH SEM SYLLABUS REGULATION 2008 2011 2012-2013 BELOW IS THE ANNA UNIVERSITY SEVENTH SEMESTER BE MATERIALS SCIENCE AND ENGINEERING DEPARTMENT SYLLABUS, TEXTBOOKS, REFERENCE BOOKS,EXAM PORTIONS,QUESTION BANK,CLASS NOTES IT IS APPLICABLE FOR ALL STUDENTS ADMITTED IN THE YEAR 2011 2012-2013 (ANNA UNIVERSITY CHENNAI,TRICHY,MADURAI,TIRUNELVELI,COIMBATORE), 2008 REGULATION OF ANNA UNIVERSITY CHENNAI AND STUDENTS ADMITTED IN ANNA UNIVERSITY CHENNAI DURING 2009
ML3402 COMPUTER APPLICATIONS IN MATERIALS SCIENCE L T P C
3 1 0 4
OBJECTIVES
Computer applications have become important to solve, approximate, interpret and
visualize problems in Materials Science. After reviewing the mathematical foundation,
applications in Materials Science are introduced.
54
UNIT I SOLUTIONS OF EQUATIONS AND INTERPOLATION 9
Application for the fitting and interpolation of experimental data in Materials.
Science Roots of equations – Methods of bisection and false position – Newton-
Raphson method – Simultaneous equations – Gauss elimination – Gauss Jordan
method - Newton’s and Langrange’s interpolation methods.
UNIT II PARTIAL DIFFERENTIAL EQUATIONS 9
Applications in diffusion and mass transport in materials.
Type of equations – Elliptic equations – Laplace’s equation – Hyperbolic equations –
Wave equations – The Lax method – Eulerian and Lagrangian methods - Parabolic
Equations – Diffusion – The Dufort-Frankel Method – Conservative methods – The
Equation of continuity – The Diffusion equations.
UNIT III MONTE CARLO METHODS AND SIMULATION 9
Monte Carlo Method for simulating nucleation and growth of grains in materials.
Monte Carlo – Random Number Generators – Monte-Carlo Integration – The Metropolis
Algorithm – Thermodynamic Averages – Quantum Monte-Carlo – Molecular Dynamics –
General Principles.
UNIT IV MATRIX ALGEBRA 9
Study of anisotropy in materials.
Introduction – types of matrix– simple matrix problems – elliptic equations – Poisson’s
equation – systems of equations and matrix inversion – Exact Methods – Iterative
Methods - The Jacobi Method – The Gauss-Seidel Method – Matrix Eigenvalue
Problems – Schrödinger’s equation – Full and Partial Diagonalisation - Sturm Sequence.
UNIT V SELECTED APPLICATIONS IN MATERIALS SCIENCE 9
Modeling and property prediction.
T : 45 + 15 , TOTAL: 60 PERIODS
TEXTBOOKS
1. Venkatraman, M. K., “Numerical Methods in Science and Engineering”, National
Publishing Company, Madras, 1996.
2. Sastry, S. S.,“ Introductory Methods of Numerical Analysis”, Prentice Hall of India,
New Delhi, 1992.
REFERENCES
1. Samuel S M Wong,“ Computational Methods in Physics and Engineering”, 2nd
Edition
2. Wilkinson J H,“ The Algebraic Eigenvalue Problem”, Clarendon Press Oxford, 1964.
3. Chandra. S.,“Computer Applications in Physics: with Fortran, Basic and C”, Narosa
Publications 2nd edition, 2006
4. Brenner, D. W.,“ Computer Applications in Materials Science and Engineering”, John
Wiley & Sons, 2007
5. Julian, Maureen M., “Foundations of crystallography with computer applications”,
CRC, 1st edition, 2008
6. Ghosh Dastidar, P. S., “Computer Simulation of Flow and Heat Transfer”, Tata
McGraw Hill, New Delhi, 1998
ML3402 COMPUTER APPLICATIONS IN MATERIALS SCIENCE L T P C
3 1 0 4
OBJECTIVES
Computer applications have become important to solve, approximate, interpret and
visualize problems in Materials Science. After reviewing the mathematical foundation,
applications in Materials Science are introduced.
54
UNIT I SOLUTIONS OF EQUATIONS AND INTERPOLATION 9
Application for the fitting and interpolation of experimental data in Materials.
Science Roots of equations – Methods of bisection and false position – Newton-
Raphson method – Simultaneous equations – Gauss elimination – Gauss Jordan
method - Newton’s and Langrange’s interpolation methods.
UNIT II PARTIAL DIFFERENTIAL EQUATIONS 9
Applications in diffusion and mass transport in materials.
Type of equations – Elliptic equations – Laplace’s equation – Hyperbolic equations –
Wave equations – The Lax method – Eulerian and Lagrangian methods - Parabolic
Equations – Diffusion – The Dufort-Frankel Method – Conservative methods – The
Equation of continuity – The Diffusion equations.
UNIT III MONTE CARLO METHODS AND SIMULATION 9
Monte Carlo Method for simulating nucleation and growth of grains in materials.
Monte Carlo – Random Number Generators – Monte-Carlo Integration – The Metropolis
Algorithm – Thermodynamic Averages – Quantum Monte-Carlo – Molecular Dynamics –
General Principles.
UNIT IV MATRIX ALGEBRA 9
Study of anisotropy in materials.
Introduction – types of matrix– simple matrix problems – elliptic equations – Poisson’s
equation – systems of equations and matrix inversion – Exact Methods – Iterative
Methods - The Jacobi Method – The Gauss-Seidel Method – Matrix Eigenvalue
Problems – Schrödinger’s equation – Full and Partial Diagonalisation - Sturm Sequence.
UNIT V SELECTED APPLICATIONS IN MATERIALS SCIENCE 9
Modeling and property prediction.
T : 45 + 15 , TOTAL: 60 PERIODS
TEXTBOOKS
1. Venkatraman, M. K., “Numerical Methods in Science and Engineering”, National
Publishing Company, Madras, 1996.
2. Sastry, S. S.,“ Introductory Methods of Numerical Analysis”, Prentice Hall of India,
New Delhi, 1992.
REFERENCES
1. Samuel S M Wong,“ Computational Methods in Physics and Engineering”, 2nd
Edition
2. Wilkinson J H,“ The Algebraic Eigenvalue Problem”, Clarendon Press Oxford, 1964.
3. Chandra. S.,“Computer Applications in Physics: with Fortran, Basic and C”, Narosa
Publications 2nd edition, 2006
4. Brenner, D. W.,“ Computer Applications in Materials Science and Engineering”, John
Wiley & Sons, 2007
5. Julian, Maureen M., “Foundations of crystallography with computer applications”,
CRC, 1st edition, 2008
6. Ghosh Dastidar, P. S., “Computer Simulation of Flow and Heat Transfer”, Tata
McGraw Hill, New Delhi, 1998
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