Atomic Picture of Plastic Deformation in Metals via Online Molecular Dynamics Simulations
01 Jun 2011 | Courses | Contributor(s): Alejandro Strachan
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. The module consists of: i) Two introductory lectures (50 minutes each) available online as audiovisual presentations and, ii) Hands-on lab involving online molecular dynamics (MD) simulations via nanoHUB.org.
Atomistic Material Science
03 Nov 2011 | Courses | Contributor(s): Alejandro Strachan
This course introduces first principles electronic structure calculations of materials properties and the concept of molecular dynamics (MD) simulations of materials focusing on the physics and approximations underlying the simulations and interpretation of their results.
Lectures on Molecular Dynamics Modeling of Materials
09 Jan 2008 | Courses | Contributor(s): Alejandro Strachan
Molecular dynamics simulations are playing an increasingly important
role in many areas of science and engineering, from biology and pharmacy
to nanoelectronics and structural materials. Recent breakthroughs in
methodologies and in first principles-based interatomic potentials
significantly increased the range of applicability of MD and the
accuracy of its predictions even for new materials not yet fabricated or
synthesized. Such predictive power indicates that MD has the potential
to play a key role in guiding the design and optimization of new
materials with improved properties tailored for specific applications.
The goal of this short course is to provide an introduction to the
theory behind MD simulations, describe some of the most exciting recent
developments in the field and exemplify its use in various applications.
The short course consists of a brief introduction and three lectures.
MSE 597G An Introduction to Molecular Dynamics
13 Nov 2008 | Courses | Contributor(s): Alejandro Strachan
The goal of this short course is to provide an introduction to the theory and algorithms behind MD simulations, describe some of the most exciting recent developments in the field and exemplify with a few applications applications. The series also includes a tutorial on the nanoMATERIALS simulation tool, an online MD simulation tool available at the nanoHUB. This provides users with a hands-on experience with MD simulations and enables further exploration of some of the concepts described in the lectures.