Computational Modeling of Materials
Code
5278
Academic unit
Faculdade de Ciências e Tecnologia
Department
Departamento de Ciências dos Materiais
Credits
6.0
Teacher in charge
Guilherme António Rodrigues Lavareda, Maria do Carmo Henriques Lança
Weekly hours
5
Total hours
79
Teaching language
Português
Objectives
The course intends to implement knowledge and develop basic skills, using computational methods, to simulate and analyze simple models of systems behavior or processes evolution.
Prerequisites
To have basic knowledge of Mathematics, Materials Science and Computation (not restrictive).
Subject matter
Part I a - Introduction to VBA - Excel as a spreadsheet. Excel functions. - The Visual Basic for Applications (VBA) excel excel environment. - Variables, constants, procedures and functions. Types and nature of variables. - Data exchange between the program and excel sheets. - Native VBA functions and access to excel functions - Flow control: Elementary and composite control instructions. - Manipulation and formatting of text. Text functions - Matrices and Arrays. Matrix operations using excel functions. - File operations. Write and read. - Execution of external programs. - Events - Graphics - User-created graphical interfaces (forms) Part I b - Introduction to MatLab - The MatLab Environment - Variables, constants, operators and functions. Variable types. - Matrices and Arrays. Matrix and non-matrix operations. Data structures. - Text and graphics. - File operations. Recording and reading of variables. - Flow control: Elementary and composite control instructions. - Scripts and Functions - User-created graphical interfaces (GUIs) Part II - Scientific Computing - Numerical Errors - Roots and relative extremes - Linear systems - Fit curves to experimental points - Interpolation - Splines - Numerical Integration - Numerical Differentiation - Ordinary differential equations - prob. of initial value - Ordinary differential equations - prob. of boundary conditions - Application Examples - Final Project