elasticity

compmatphys

elasticity

If you follow this course in sync with the live classes (September-December), then this chapter is your main content for week 9 of the fall term (see list of due dates).

If you try to deform a crystal, it will fight back. To which extent and in which way it does so, is governed by its elastic properties. This week, we will examine how the elastic information can be expressed, and how DFT can predict this elastic information.

Going through this chapter (including the hands-on tasks in ‘test yourself‘ will take you about 3 hours. This is meant to be an all-in time, that is probably an upper value.

How a crystalline material responds to applied stress, is an important engineering property. You will learn (or refresh) the formalism to describe stress-strain relationships, which is useful in experimental as well as in computational research. You will learn how to determine the strain tensor for a given deformation of a unit cell.

Expected time: 40m

Discover two procedures that allow you to determine by DFT the stress-strain relation for a given crystalline material.

Expected time: 60m

Once you know the stress-strain relationship, several other engineering properties of a crystal are readily available too.

Expected time: 20m

DFT-computed elastic constants can sometimes be sufficient to predict very useful materials properties, prior to experiment, as this lesson wil demonstrate.

Expected time: 20m

As elastic constants are not easily measured experimentally, there are by now many more crystals for which there are DFT values than crystals for which there are experimental values.

Expected time: 30m

Are you still on board?

Here you can find the recording of the feedback webinar of this week.

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Video 48 Min  + 2 Min read to complete

Lorem ipsum dolor sit amet, consectetur adipiscing elit, sed do eiusmod tempor incididunt ut labore et dolore magna aliqua. Praesent semper feugiat nibh sed pulvinar. Justo nec ultrices dui sapien eget. Nunc congue nisi vitae suscipit tellus mauris a. Vulputate mi sit amet mauris commodo quis. Vivamus at augue eget arcu dictum. Dignissim suspendisse in est ante. Etiam dignissim diam quis enim lobortis scelerisque fermentum. Aliquet risus feugiat in ante metus dictum at tempor commodo. Velit laoreet id donec ultrices tincidunt arcu non sodales neque.

Video 48 Min  + 2 Min read to complete

Lorem ipsum dolor sit amet, consectetur adipiscing elit, sed do eiusmod tempor incididunt ut labore et dolore magna aliqua. Praesent semper feugiat nibh sed pulvinar. Justo nec ultrices dui sapien eget. Nunc congue nisi vitae suscipit tellus mauris a. Vulputate mi sit amet mauris commodo quis. Vivamus at augue eget arcu dictum. Dignissim suspendisse in est ante. Etiam dignissim diam quis enim lobortis scelerisque fermentum. Aliquet risus feugiat in ante metus dictum at tempor commodo. Velit laoreet id donec ultrices tincidunt arcu non sodales neque.

Video 48 Min  + 2 Min read to complete

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