Defects in Crystals: Point Defects and Dislocations

Description

This lecture covers the basics of point defects in crystalline materials, including vacancies, interstitials, and substitutional atoms, and their impact on material properties. It also delves into dislocations, focusing on edge dislocations and their formation in crystals. The energy relaxation around defects and dislocations is discussed, emphasizing the importance of accurate structure stability calculations.

Official source

https://mediaspace.epfl.ch/media/0_huc3oidi

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Project Jupyter

Project Jupyter (ˈdʒuːpɪtər) is a project to develop open-source software, open standards, and services for interactive computing across multiple programming languages. It was spun off from IPython in 2014 by Fernando Pérez and Brian Granger. Project Jupyter's name is a reference to the three core programming languages supported by Jupyter, which are Julia, Python and R. Its name and logo are an homage to Galileo's discovery of the moons of Jupiter, as documented in notebooks attributed to Galileo.

IPython

IPython (Interactive Python) is a command shell for interactive computing in multiple programming languages, originally developed for the Python programming language, that offers introspection, rich media, shell syntax, tab completion, and history. IPython provides the following features: Interactive shells (terminal and Qt-based). A browser-based notebook interface with support for code, text, mathematical expressions, inline plots and other media. Support for interactive data visualization and use of GUI toolkits.

Crystallographic defect

A crystallographic defect is an interruption of the regular patterns of arrangement of atoms or molecules in crystalline solids. The positions and orientations of particles, which are repeating at fixed distances determined by the unit cell parameters in crystals, exhibit a periodic crystal structure, but this is usually imperfect. Several types of defects are often characterized: point defects, line defects, planar defects, bulk defects. Topological homotopy establishes a mathematical method of characterization.

Dislocation

In materials science, a dislocation or Taylor's dislocation is a linear crystallographic defect or irregularity within a crystal structure that contains an abrupt change in the arrangement of atoms. The movement of dislocations allow atoms to slide over each other at low stress levels and is known as glide or slip. The crystalline order is restored on either side of a glide dislocation but the atoms on one side have moved by one position. The crystalline order is not fully restored with a partial dislocation.

Notebook interface

A notebook interface or computational notebook is a virtual notebook environment used for literate programming, a method of writing computer programs. Some notebooks are WYSIWYG environments including executable calculations embedded in formatted documents; others separate calculations and text into separate sections. Notebooks share some goals and features with spreadsheets and word processors but go beyond their limited data models. Modular notebooks may connect to a variety of computational back ends, called "kernels".