Teaching Materials (1-8 of 8)

1. Martensitic Transformations with Molecular Dynamics

   Teaching Materials | 21 Feb 2019 | Contributor(s):: Sam Reeve, Alejandro Strachan

   In this computational lab you will perform online molecular dynamics (MD) simulations through nanoHUB of martensitic transformations and analyze the results in order to: Describe the atomistic process of martensitic, solid-solid phase transitions Compare different martensitic alloys,...

2. Melting with Molecular Dynamics

   Teaching Materials | 21 Feb 2019 | Contributor(s):: Sam Reeve, Alejandro Strachan

   In this computational lab you will perform online molecular dynamics (MD) simulations through nanoHUB to melt nickel samples and analyze the results in order to: Understand the process of melting at atomic scales Identify effects of surfaces and specimen size Describe differences...

3. Nanoscale Tensile Testing with Molecular Dynamics

   Teaching Materials | 21 Feb 2019 | Contributor(s):: Sam Reeve, Alejandro Strachan

   In this computational lab you will perform online molecular dynamics (MD) simulations through nanoHUB of single-crystal copper nanowires under uniaxial tension of varying orientations and analyze the results in order to: Observe how slip planes in single-crystal nanowires are formed and...

4. Dislocation Structure and Propagation with Molecular Dynamics

   Teaching Materials | 20 Feb 2019 | Contributor(s):: Sam Reeve, Alejandro Strachan

   In this computational lab you will learn about dislocations via online molecular dynamics (MD) simulations using nanoHUB. The simulations involve various types of dislocations in FCC and BCC crystals.

5. Ductile and Brittle Failure in Metals with Molecular Dynamics

   Teaching Materials | 20 Feb 2019 | Contributor(s):: Sam Reeve, Alejandro Strachan

   In this computational lab you will perform online molecular dynamics (MD) simulations of nanoscale cracks under uniaxial tension through nanoHUB. Simulations with varying temperature and crystal structure will provide information to: Distinguish the atomistic mechanisms of ductile and...

6. Computer Modeling Module: Chemical Reaction Simulation using SIESTA

   Teaching Materials | 23 Aug 2017 | Contributor(s):: Lan Li

   This activity guides students through a module using the SIESTA DFT tool that is housed within the MIT Atomic Scale Modeling Toolkit on nanoHUB. Instructional videos, background reading, reminders and the assignment are included. Learning outcomes: Get familiar with SIESTA tool and activation...

7. What are the proper transport models at the nanoscale?

   Teaching Materials | 30 Jun 2011 | Contributor(s):: Dragica Vasileska, Gerhard Klimeck

   This presentation is part of the series Nanoelectronics and Modeling at the Nanoscale

8. Atomistic Simulations of Reliability

   Teaching Materials | 06 Jul 2010 | Contributor(s):: Dragica Vasileska

   Discrete impurity effects in terms of their statistical variations in number and position in the inversion and depletion region of a MOSFET, as the gate length is aggressively scaled, have recently been researched as a major cause of reliability degradation observed in intra-die and die-to-die...