Description

Resources (61-80 of 187)

1. Coarse Graining of Crystalline Cellulose

   Tools | 29 Jul 2016 | Contributor(s):: Kuo Tian, Mehdi Shishehbor, Pablo Daniel Zavattieri

   Bio-inspired Crystalline Nano-Cellulose coarse graining toolkit

2. Exploring Materials Properties with Nanomaterial Mechanics Explorer Structure Files

   Teaching Materials | 24 Mar 2016 | Contributor(s):: Tanya Faltens

   This document describes how to generate and download simulation output files from the Nanomaterial Mechanics Explorer on nanoHUB and view them locally using OVITO. This can be particularly useful for more advanced manipulations of the trajectory files, and for sharing files with others, such...

3. LegoGen

   Tools | 05 Feb 2016 | Contributor(s):: Scott Michael Louis Slone, Chris Maffeo, AbderRahman N Sobh, Aleksei Aksimentiev

   Tool workflow for building DNA Brick structures automatically.

4. Polymer Synthesis and Characterization in the Cloud: a nanoHUB Classroom Experience

   Online Presentations | 31 Aug 2015 | Contributor(s):: Coray Colina

   In this talk, I’ll share the experience of teaching a junior undergraduate computational course in materials science and engineering, with over 70 participants. Both molecular and continuum methods were studied and applied to relevant materials problems. Students were able to build and...

5. MD simulations of shock loading

   Tools | 11 Jun 2015 | Contributor(s):: edwin alberto antillon, Mitchell Anthony Wood, Mathew Joseph Cherukara, Alejandro Strachan

   Use MD simulation to study shocks in various materials including metals and energetics

6. Molecular Exploration Tool

   Tools | 01 Aug 2014 | Contributor(s):: Xueying Wang, nicolas onofrio, Alejandro Strachan, David M Guzman

   The tool can display the molecule structures and run Lammps simulations.

7. Tensile Testing Laboratory: Nanoscale and Macroscale Metal Samples

   Teaching Materials | 24 Nov 2015 | Contributor(s):: Aisling Coughlan, Kendra A. Erk, David Ray Johnson, Tanya Faltens, Alejandro Strachan, Heidi A Diefes-Dux

   This document is an updated (Fall 2015) sophomore materials science and engineering tensile testing laboratory handout that introduces students to the atomic-level processes that are responsible for plastic deformation. By performing standard tensile tests on a ductile metal in conjunction with...

8. Molecular Dynamics Showcase Builder

   Tools | 09 Nov 2015 | Contributor(s):: Michael McLennan, Nicholas K Kisseberth, George A. Howlett, Jim Slopsema, Aleksei Aksimentiev, Chen-Yu Li

   Tool to create showcases for the Molecular Dynamics Showcase viewer.

9. Atomistic Modeling: Past, Present, and Future, MGI, ICME, etc.

   Online Presentations | 03 Nov 2015 | Contributor(s):: Paul Saxe

   I will present a perspective on atomistic modeling — tools using quantum methods such as DFT, as well as molecular dynamics and Monte Carlo methods based on forcefields — over the past 30 years or so. While we are all caught up in the present, it is important to remember and realize...

10. Introduction to Molecular Dynamics

    Online Presentations | 27 Aug 2015 | Contributor(s):: Alejandro Strachan

11. Nanomaterial Mechanics Explorer

    Tools | 30 Jun 2015 | Contributor(s):: Sam Reeve, Christopher Chow, Michael N Sakano, shuhui tang, Alexis Belessiotis, Mitchell Anthony Wood, Kiettipong Banlusan, Saaketh Desai, Alejandro Strachan

    Simulate dislocation dynamics, crack propagation, nanowire tensile tests, and phase transitions

12. Introduction to Molecular Dynamics

    Online Presentations | 06 Apr 2015 | Contributor(s):: Alejandro Strachan

    This short presentation will describe the idea behind MD simulations and demonstrate its use in real applications.

13. Reproducing results of "Thermal transport in SiGe superlattice thin films and nanowires"

    Papers | 27 Mar 2015 | Contributor(s):: Alejandro Strachan, Jonathan Mark Dunn

    In this document we show how to reproduce results in the paper "Thermal transport in SiGe superlattice thin films and nanowires", Keng-hua Lin, and Alejandro Strachan Physical Review B 87, 115302 (2011) using the nanoMATERIALS nanoscale heat transport tool in nanoHUB....

14. Tensile Testing of Nanoscale and Macroscale Metal Samples

    Teaching Materials | 25 Mar 2015 | Contributor(s):: Aisling Coughlan, Kendra A. Erk, David Ray Johnson, Tanya Faltens, Alejandro Strachan, Heidi A Diefes-Dux

    This document is a sophomore materials science and engineering tensile testing laboratory handout (Fall 2014) that introduces students to the atomic-level processes that are responsible for plastic deformation. By performing standard tensile tests on a ductile metal in conjunction with...

15. MSE 498 Lesson 10: MD

    Online Presentations | 16 Mar 2015 | Contributor(s):: Andrew Ferguson

    This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...

16. MSE 498 Lesson 11: MD

    Online Presentations | 16 Mar 2015 | Contributor(s):: Andrew Ferguson

    This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...

17. MSE 498 Lesson 12: MD

    Online Presentations | 16 Mar 2015 | Contributor(s):: Andrew Ferguson

    This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...

18. MSE 498 Lesson 13: MD

    Online Presentations | 16 Mar 2015 | Contributor(s):: Andrew Ferguson

    This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...

19. MSE 498 Lesson 14: MD

    Online Presentations | 16 Mar 2015 | Contributor(s):: Andrew Ferguson

    This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...

20. MSE 498 Lesson 15: MD

    Online Presentations | 16 Mar 2015 | Contributor(s):: Andrew Ferguson

    This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...