CME8129 : Modelling Materials and Processes
- Offered for Year: 2024/25
- Module Leader(s): Dr Adrian Oila
- Lecturer: Dr Jie Zhang
- Owning School: Engineering
- Teaching Location: Newcastle City Campus
Semesters
Your programme is made up of credits, the total differs on programme to programme.
| Semester 1 Credit Value: | 20 |
| ECTS Credits: | 10.0 |
| European Credit Transfer System | |
Aims
The aim of this module is to introduce the practical aspects of the basic methods used in the computational modelling of materials and processes. Both fundamental modelling and data-driven modelling techniques will be introduced.
Outline Of Syllabus
Time-scales and length-scales in materials structure and behaviour.
Interatomic potentials: cohesive energy, pair potentials, determining parameters in potentials.
Electronic structure methods: density functional theories, wave functions, pseudopotentials.
Molecular dynamics: atomic model in MD, embedded atom method, solutions for Newton’s equations of motion.
Multivariate statistical data analysis: linear regression, multiple linear regression, principal component analysis (PCA), principal component regression, ridge regression.
Nonlinear regression: polynomial regression, orthogonal least square regression.
Machine learning techniques: neural networks, radial basis function networks, extreme learning machines, recurrent neural networks, bootstrap aggregated neural networks, advanced topics in machine learning
Teaching Methods
Teaching Activities
| Category | Activity | Number | Length | Student Hours | Comment |
|---|---|---|---|---|---|
| Structured Guided Learning | Lecture materials | 6 | 1:00 | 6:00 | Non-synchronous online materials |
| Scheduled Learning And Teaching Activities | Lecture | 12 | 1:00 | 12:00 | Lectures |
| Guided Independent Study | Assessment preparation and completion | 1 | 84:00 | 84:00 | Assessment preparation and completion |
| Scheduled Learning And Teaching Activities | Small group teaching | 8 | 1:00 | 8:00 | Tutorials and formative exercise |
| Guided Independent Study | Independent study | 1 | 90:00 | 90:00 | Review lecture notes and recommended texts as appropriate |
| Total | 200:00 |
Teaching Rationale And Relationship
Recorded lectures will be used to introduce the main topics. The lectures will be used to deliver material not covered in the recorded lectures and also to revise the content of recorded lectures.
The tutorials are supervised activities in which the students apply the knowledge that they gain during lectures and private study to setup and run simulations and to analyse the results.
Assessment Methods
The format of resits will be determined by the Board of Examiners
Other Assessment
| Description | Semester | When Set | Percentage | Comment |
|---|---|---|---|---|
| Report | 1 | M | 50 | Report 1 (modelling materials - approx. 1500 words) |
| Report | 1 | M | 50 | Report 2 (modelling processes - approx. 1500 words) |
Formative Assessments
Formative Assessment is an assessment which develops your skills in being assessed, allows for you to receive feedback, and prepares you for being assessed. However, it does not count to your final mark.
| Description | Semester | When Set | Comment |
|---|---|---|---|
| Lab exercise | 1 | M | Formative exercise during the tutorial sessions |
Assessment Rationale And Relationship
The two reports provide an appropriate way to assess both theoretical understanding (M1) and problem solving skills (M2) and software skills (M3).
They also develop the ability to select and critically evaluate technical literature (M4) and communication skills (M17).
Reading Lists
Timetable
- Timetable Website: www.ncl.ac.uk/timetable/
- CME8129's Timetable