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AMME5271: Computational Nanotechnology (2018 - Semester 2)

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Unit: AMME5271: Computational Nanotechnology (6 CP)
Mode: Normal-Day
On Offer: Yes
Level: Postgraduate
Faculty/School: School of Aerospace, Mechanical & Mechatronic Engineering
Unit Coordinator/s: A/Prof Jabbarzadeh, Ahmad
Session options: Semester 2
Versions for this Unit:
Campus: Camperdown/Darlington
Pre-Requisites: None.
Brief Handbook Description: This course introduces atomistic computational techniques used in modern engineering to understand phenomena and predict material properties, behaviour, structure and interactions at nano-scale. The advancement of nanotechnology and manipulation of matter at the molecular level have provided ways for developing new materials with desired properties. The miniaturisation at the nanometre scale requires an understanding of material behaviour which could be much different from that of the bulk. Computational nanotechnology plays a growingly important role in understanding mechanical properties at such a small scale. The aim is to demonstrate how atomistic level simulations can be used to predict the properties of matter under various conditions of load, deformation and flow. The course covers areas mainly related to fluid as well as solid properties, whereas, the methodologies learned can be applied to diverse areas in nanotechnology such as, liquid-solid interfaces, surface engineering, nanorheology, nanotribology and biological systems. This is a course with a modern perspective for engineers who wish to keep abreast with advanced computational tools for material characterisation at the atomic scale.
Assumed Knowledge: Understanding of basic principles of Newtonian mechanics, physics and chemistry, fluid mechanics and solid mechanics. General knowledge of how to operate a computer and work with different software is also required.
Department Permission Department permission is required for enrollment in this session.
Lecturer/s: A/Prof Jabbarzadeh, Ahmad
Timetable: AMME5271 Timetable
Time Commitment:
# Activity Name Hours per Week Sessions per Week Weeks per Semester
1 Lecture 2.00 1 13
2 Tutorial 3.00 1 13
T&L Activities: Tutorial: One 3hr Tutorial

Students are expected to attend all lectures and tutorials, complete all tutorial problems, read articles and book chapters on reading lists, and undertake further self-directed research.

Approximately 6 hours per week of private study outside lectures and tutorial classes will be required to complete the tutorial tasks, reading, and to work on the major project.

Attributes listed here represent the key course goals (see Course Map tab) designated for this unit. The list below describes how these attributes are developed through practice in the unit. See Learning Outcomes and Assessment tabs for details of how these attributes are assessed.

Attribute Development Method Attribute Developed
Be able to exercise critical judgment by using their theoretical knowledge to solve problems. They should extend problem solving abilities to design modeling and simulation scenarios. Design (Level 4)
Develop the essential knowledge both practical and theoretical in the field of computational nanotechnology. Engineering/IT Specialisation (Level 5)
Be able to model matter at the atomic scale with specific applications related to problems in nano-science and engineering situations, and to apply a few fundamental, well understood principles. Maths/Science Methods and Tools (Level 5)
Learn how to use scientific software to model engineering problems at the nano-scale. . Information Seeking (Level 4)
Be able to organize and communicate knowledge related to computational analysis at the nano-scale in form of written reports and oral presentations. Communication (Level 4)
Be able to work individually and within a group to complete personal assignments and group projects. Students should perform extensive research to complete the assigned tasks. Project and Team Skills (Level 4)

For explanation of attributes and levels see Engineering & IT Graduate Outcomes Table.

Learning outcomes are the key abilities and knowledge that will be assessed in this unit. They are listed according to the course goal supported by each. See Assessment Tab for details how each outcome is assessed.

Design (Level 4)
1. The students will be able to calculate properties of materials such as simple fluids and polymer melts, solids, explore structure-property relations in various situations.
2. Understand specific processes stated in the aims and goals, and apply it to specific problems.
Engineering/IT Specialisation (Level 5)
3. The students will be able to relate the microscopic state of materials to their macroscopic properties such as stresses, temperature, strain and viscosity. They will learn how to set up simulations of materials and probe their properties, interpret the results from visualized molecular snapshots.
Maths/Science Methods and Tools (Level 5)
4. Students will have a good understanding of basic and advanced theory of molecular dynamics simulation techniques such as force potentials for modelling fluids and solids, statistical analysis and accuracy, and advanced algorithms of high performance computations.
Information Seeking (Level 4)
5. The students will be familiarised with available scientific software for computational nanotechnology and will learn how to use software and conduct their projects.
Communication (Level 4)
6. Be able to prepare reports and present their findings in a professional manner.
Project and Team Skills (Level 4)
7. Students will learn how to work within a group to conduct research and share work load to achieve common objectives.
Assessment Methods:
# Name Group Weight Due Week Outcomes
1 Assignment No 20.00 Week 4 1, 3, 4, 5,
2 Assignment No 20.00 Week 8 1, 2, 3, 4, 5, 6,
3 Project Yes 50.00 Week 13 1, 2, 3, 4, 5, 6, 7,
4 Presentation/Seminar Yes 10.00 Week 13 1, 2, 3, 4, 5, 6, 7,
Assessment Description: Assignment: Assignment 1. The assignment problems will be distributed at lectures 2 weeks before the assignment is due.

Assignment: assignment 2

Project: Major Project

Presentation/Seminar: In the last week of the course the students should give seminars on the topic of their Major Project. Each student will have 15 minutes to present and 5 minutes will be allowed for questions. All the presentations should be in PowerPoint format.
Grade Type Description
Standards Based Assessment Final grades in this unit are awarded at levels of HD for High Distinction, DI (previously D) for Distinction, CR for Credit, PS (previously P) for Pass and FA (previously F) for Fail as defined by University of Sydney Assessment Policy. Details of the Assessment Policy are available on the Policies website at . Standards for grades in individual assessment tasks and the summative method for obtaining a final mark in the unit will be set out in a marking guide supplied by the unit coordinator.
Policies & Procedures: See the policies page of the faculty website at for information regarding university policies and local provisions and procedures within the Faculty of Engineering and Information Technologies.
Recommended Reference/s: Note: References are provided for guidance purposes only. Students are advised to consult these books in the university library. Purchase is not required.

Note that the "Weeks" referred to in this Schedule are those of the official university semester calendar

Week Description
Week 1 Introduction to modeling and simulation.
Continuum and atomic view of matter.
Week 2 Deterministic versus stochastic methods.
Particle methods.
Week 3 Molecular dynamics algorithms and techniques.
Week 4 Atomistic models of materials and force potentials.
Assessment Due: Assignment
Week 5 Calculating physical properties using statistical mechanics.
Week 6 Structural properties, radial distribution function,diffusion coefficient, stress tensor and deformation in nano-scale.
Week 7 Statistical accuracy and analysis of molecular dynamics data; simulation ensembles (NPT, NVT)
Week 8 Efficient computations
Assessment Due: Assignment
Week 9 Modeling metals, polymers and biopolymers.
Week 10 Time dependant phenomena
Week 11 Practical applications to simulation of flow in nano-channels, shear flow, nano-tribology and nano-rheology.
Week 12 Case studies
Week 13 Case studies
Assessment Due: Project
Assessment Due: Presentation/Seminar

Course Relations

The following is a list of courses which have added this Unit to their structure.

Course Year(s) Offered
Mechanical Mid-Year 2016, 2017, 2018, 2019
Mechanical 2015, 2016, 2017, 2018, 2019
Mechanical / Arts 2018, 2019
Mechanical / Commerce 2015, 2016, 2017, 2018, 2019
Mechanical / Music Studies 2016, 2017
Mechanical / Project Management 2015, 2016, 2017, 2018, 2019
Mechanical / Science 2015, 2016, 2017, 2018, 2019
Mechanical/Science(Health) 2018, 2019
Mechanical / Law 2015, 2016, 2017, 2018, 2019
Mechanical (Space) 2015
Mechanical (Space) / Arts 2015
Mechanical (Space) / Commerce 2015
Mechanical (Space) / Project Management 2015
Mechanical (Space) / Science 2015
Mechanical (till 2014) 2014
Mechanical Engineering / Commerce 2014
Mechanical Engineering / Project Management 2014
Mechanical Engineering / Science 2014
Mechanical Engineering / Law 2014
Mechanical (Space) (till 2014) 2014
Mechanical Engineering (Space) / Arts 2014
Mechanical Engineering (Space) / Project Management 2014
Mechanical Engineering (Space) / Science 2014
Master of Engineering 2013, 2014, 2015, 2016, 2017, 2018, 2019
Mechanical/Science (Medical Science Stream) 2018, 2019
Master of Engineering (Mechanical) 2011, 2012
Master of Professional Engineering (Biomedical) 2010, 2011, 2012, 2013, 2014, 2015, 2016, 2017, 2018, 2019
Master of Professional Engineering (Mechanical) 2010, 2011, 2012, 2013, 2014, 2015, 2016, 2017, 2018, 2019

Course Goals

This unit contributes to the achievement of the following course goals:

Attribute Practiced Assessed
Design (Level 4) Yes 28.82%
Engineering/IT Specialisation (Level 5) Yes 16.91%
Maths/Science Methods and Tools (Level 5) Yes 16.91%
Information Seeking (Level 4) Yes 16.91%
Communication (Level 4) Yes 11.91%
Professional Conduct (Level 4) No 0%
Project and Team Skills (Level 4) Yes 8.57%

These goals are selected from Engineering & IT Graduate Outcomes Table which defines overall goals for courses where this unit is primarily offered. See Engineering & IT Graduate Outcomes Table for details of the attributes and levels to be developed in the course as a whole. Percentage figures alongside each course goal provide a rough indication of their relative weighting in assessment for this unit. Note that not all goals are necessarily part of assessment. Some may be more about practice activity. See Learning outcomes for details of what is assessed in relation to each goal and Assessment for details of how the outcome is assessed. See Attributes for details of practice provided for each goal.