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nanoHUB-U: From Atoms to Materials: Predictive Theory and Simulations

MSE 270: Atomistic Materials Science

EAFIT-Purdue: online simulations in engineering and science education

Atomistic View of Materials: Modeling & Simulation

Introduction to Uncertainty Quantification

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ab initio simulations with ORCA

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28 Jul 2015 | Tools | Contributor(s): nicolas onofrio, Alejandro Strachan

Atomic Picture of Plastic Deformation in Metals via Online Molecular Dynamics Simulations

01 Jun 2011 | Courses | Contributor(s): Alejandro Strachan

Atomic Picture of Plastic Deformation in Metals: Lab Assignment Handout

19 Jan 2010 | Teaching Materials | Contributor(s): Alejandro Strachan

Atomic Picture of Plastic Deformation in Metals: Overview Lecture

24 Jan 2010 | Online Presentations | Contributor(s): Alejandro Strachan

The lecture describes the objectives of the learning module and provides the necessary background for the activities. We briefly discuss the following topics:

This lecture is part of the learning module Atomic Picture of Plastic Deformation in Metals.

Atomic Picture of Plastic Deformation in Metals: Prelab Lecture

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Purdue Workshop—Predictive materials modeling and simulations: nano- and micro-mechanics

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Objectives This by-invitation-only workshop will focus on recent progress and current challenges in the area of experimentally validated, predictive modeling of mechanical properties of nano- or micro-engineered materials. Areas of interest include micro- and nano-electromechanical devices...

Learning Module: Atomic Picture of Plastic Deformation in Metals

The main goal of this learning module is to introduce students to the atomic-level processes responsible for plastic deformation in crystalline metals and help them develop a more intuitive understanding of how materials work at molecular scales. Image to the right shows plastic deformation of...

Molecular dynamics simulations of materials

What is MD? Molecular dynamics involves the numerical solution of the classical equations of motion (F=ma) for every single atom in material. The result is a very detailed description of the temporal evolution of the material: we obtain the position, velocity and force of every atom as a...

Resources for Materials Science and Engineering

Ab initio electronic structure simulation tools ABINIT :ABINIT is a package whose main program allows to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory, using...

Learning Module: Bonding and Band Structure in Silicon

The main goal of this learning module is to help students learn about the correlation between atomic structure and electronic properties, and help them develop a more intuitive understanding of the origin of electronic bands in a material via hand-on exploration using online electronic structure...