| CODE | MTM5002 | ||||||||||||
| TITLE | Computational Methods in Materials Science | ||||||||||||
| UM LEVEL | 05 - Postgraduate Modular Diploma or Degree Course | ||||||||||||
| MQF LEVEL | 7 | ||||||||||||
| ECTS CREDITS | 5 | ||||||||||||
| DEPARTMENT | Metamaterials | ||||||||||||
| DESCRIPTION | This study-unit explores different methods and techniques that can be used to model materials and structures. This study-unit is divided into three sections: - Section 1: Theoratical Methods; - Section 2: Computational Methods; - Section 3: Simulation Methods. Theoratical Methods: This will cover the use of the Theory of Elasticity in relation to the work carried out by the students, and an introduction to Analytical Modelling. Computational Methods: This will cover the use of Linux for modelling, scripting for modelling, an introduction to Multivariate Statistics, and other topics such as molecular structure files and their correct use, Internet data banks and others. Simulation Methods: This will cover the use of Force Fields in nano-level modelling, Monte Carlo simulations, methods to measure the properties of materials, modelling of crystals, and macro-scale modelling through Finite Element Analysis. Study-unit Aims: The study-unit aims at rendering the students fluent in the various types of modelling, empowering them to make the most of the time they spend on their dissertation. It also aims at teaching the students about sections of Modelling which they would otherwise not encounter in their studies, yet are important in real-world situations. Learning Outcomes: 1. Knowledge & Understanding: By the end of the study-unit the student will be able to: - Differentiate between many different data types, file types and conventions used in the area, which will greatly facilitate his/her work; - Compare and Apply the various methods in Materials modelling to solve the problems s/he is presented with; - Make professional use of nano-level materials modelling software, including Materials Studio and Cerius2, and other essential programs currently being employed in the Metamaterials lab; - Use the theory of elasticity to evaluate the properties, including mechanical properties, of materials; - Utilise and develop models using Finite Element Analysis. 2. Skills: By the end of the study-unit the student will be able to: - Design proper scientific methodologies which make proper use of Multivariate Statistics; - Seek and retrieve information online pertaining to his/her work from a wide variety of internet databanks; - Use Linux proficiently for molecular modelling and create scripts in Python and/or Perl to perform a wide variety of tasks; - Work in a group on a complex task; - Demonstrate organizational skills and time management skills. Main Text/s and any supplementary readings: - Molecular Modelling: Principles and Applications (2nd Edition). Andrew R. Leach. - Introduction to multivariate Statistical analysis in chemometrics. Peter Filzmoser. - Finite element analysis : Theory and application with ANSYS (2nd Edition). Saeed Moaveni. |
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| STUDY-UNIT TYPE | Lecture | ||||||||||||
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The University makes every effort to ensure that the published Courses Plans, Programmes of Study and Study-Unit information are complete and up-to-date at the time of publication. The University reserves the right to make changes in case errors are detected after publication.
The availability of optional units may be subject to timetabling constraints. Units not attracting a sufficient number of registrations may be withdrawn without notice. It should be noted that all the information in the description above applies to study-units available during the academic year 2024/5. It may be subject to change in subsequent years. |
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