MatSE 404ELA: Modeling Elasticity

Spring 2017

Schedule

TR 2:00--5:00pm in L440 Digital Computer Laboratory

Meets Jan. 17--Mar. 9 (first half of semester)

Course content

Scope

Objectives

Students will be able to

  1. apply modeling tools to predict elastic behavior of new materials;
  2. determine proper parameters for a simulation;
  3. determine if a simulation result is reliable based on the underlying physical principles in the simulation;
  4. systematically analyze data to extract meaningful materials quantities;
  5. interconnect materials modeling tools to cover appropriate length scales efficiently;
  6. use a command line with shell scripting to automate computational tasks.

Prerequisites: Senior standing in MatSE

Instructor

Dallas R. Trinkle (dtrinkle@illinois.edu; 308 MSEB in the west stairwell).

Teaching approach: Hands-on project-based learning

An "active learning" approach where we focus on the course objectives: applying modeling tools to predict elastic behavior of new materials, determine if a simulation is reliable, and use a systematic approach to computation. You will:

We will apply this to predicting the elastic moduli of a metal matrix composite including the effect of size, shape, and elastic anisotropy of the reinforcement in the spirit of integrated computational materials engineering (ICME).

Logistics

Projects

For each topic, you will turn in projects along with a final project that integrates your work to study a metal-matrix composite.

Project uploading

Grading

Breakdown:

Letter grades: A (>90), B (>80), C (>70), D (>60).

Academic Integrity, Harassment, and Discrimination

You are bound by the University Honor Code in this course. Any violation of the Honor Code will result in disciplinary action.

Students are responsible for producing their own quiz answers and project reports. Collaborative interaction in small groups is encouraged, but each student must perform all calculations themselves, and write their own reports. Plagiarism will not be tolerated, and verified incidents will result in all parties receiving a zero and formal academic sanctions. Students are responsible for familiarizing themselves with the definition of and penalties for plagiarism in Section I-401 of the UIUC Student Code. Note that plagiarism includes "copying another student’s paper or working with another person when both submit similar papers without authorization to satisfy an individual assignment."

Harassment or discrimination of any kind will not be tolerated. Please report any concerns immediately to your professor.

Changes to syllabus

May occur as deemed necessary by the professor; they will be announced and the updated syllabus posted on the course website.

Calendar

Tuesday Thursday notes
Jan 17 Jan 19 Introduction / bash: Project 1 / PDF
Jan 24 Jan 26 Quantum Espresso theory + practice
Jan 31 Feb 02 Quantum Espresso walkthrough/PDF + Project 2 / PDF
Feb 07 Feb 09 no class; project
Feb 14 Feb 16 OOF2 theory + practice
Feb 21 Feb 23 OOF2 walkthrough/PDF + Project 3 / PDF
Feb 28 Mar 02 no class; project
Mar 07 Mar 09 Final project / PDF

Quiz dates in bold: Jan. 26, Feb. 9, Mar. 7

Online reading

You may want to use the following references throughout the course:

Accessing library resources

The Univ. Illinois library has access to a huge variety of electronic resources; this plus additional online resources will be our references. Many can be accessed from the library's website, or via the campus VPN. Alternatively, you can take advantage of the library proxy. This is done by appending proxy2.library.illinois.edu to the web address; when reloaded, you will be asked for Univ. Illinois authentication, and then will be able to access the resource as if you were on campus. In general, this authentication is required only once per session. So, the website

http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.113.025504

would become

http://journals.aps.org.proxy2.library.illinois.edu/prl/abstract/10.1103/PhysRevLett.113.025504

Alternatively, install the Proxy Bookmarklet which makes it extremely easy to use the proxy. I highly recommend this method.