-
Uncertainty Quantification in Materials Modeling: Topics on Uncertainty Quantification
Workshops | 21 Mar 2016 | Contributor(s):: Alejandro Strachan
This is the seminar portion of the NCN and NEEDS 2015 Summer School consisting of presentations related to uncertainty quantification.
-
Polymer Synthesis and Characterization in the Cloud: a nanoHUB Classroom Experience
Online Presentations | 22 Jan 2016 | 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...
-
OOMMF: Object Oriented MicroMagnetic Framework
Tools | 21 Jan 2016 | Contributor(s):: Michael Joseph Donahue, Donald Gene Porter
A portable, extensible public domain program and associated tools for micromagnetic simulation
-
MIF generator for OOMMF
Tools | 17 Jun 2015 | Contributor(s):: Zachary Yu, Jung Jin Park, Tanya Faltens, Rafatul Faria, Supriyo Datta
Provide highly-customized input model file for OOMMF
-
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.
-
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...
-
Particle Trajectory Diffusion Analysis
Tools | 24 Sep 2015
Computes mean squared displacements and tracer diffusion coefficients from particle position data as a function of time.
-
Diffusion Calculator: HCP Dilute Solutes
Tools | 25 Sep 2015 | Contributor(s):: Henry Wu, DANE MORGAN
This tool calculates the diffusivity of a dilute solute in an HCP lattice with the 8-frequency model.
-
Diffusion Calculator: FCC Dilute Solutes
Tools | 25 Sep 2015 | Contributor(s):: Henry Wu, DANE MORGAN
This tool calculates the diffusivity of a dilute solute in an FCC lattice with the 5-frequency model.
-
Grain Boundary Diffusion Calculator
Tools | 25 Sep 2015
Calculates the effective diffusivity in a grain boundary network with two types of randomly distributed grain boundaries.
-
2-D Diffusion Game
Tools | 28 Sep 2015 | Contributor(s):: Tam Mayeshiba
Play a 2-D diffusion game
-
ab initio simulations with ORCA
Tools | 28 Jul 2015 | Contributor(s):: nicolas onofrio, Alejandro Strachan
ab initio and density functional theory calculations dedicated to molecular systems
-
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
-
DFT Material Properties Simulator
Tools | 21 Jul 2015 | Contributor(s):: Gustavo Javier, Usama Kamran, David M Guzman, Alejandro Strachan, Peilin Liao, Robert Joseph Appleton
Compute electronic and mechanical properties of materials from DFT calculations with 1-Click
-
nuSIMM: nanoHUB user Simulation Interface for Molecular Modeling
Tools | 26 May 2015 | Contributor(s):: Michael Fortunato, Lauren Abbott, Kyle E Hart, coray colina
Simulated polymerization, equilibration, and characterization of molecular models
-
MSE 498: Computational Materials Science and Engineering
Courses | 29 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.,...
-
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...
-
Homework assignment: learning about elastic constants via molecular dynamics simulations
Teaching Materials | 17 Feb 2015 | Contributor(s):: Alejandro Strachan, David Ray Johnson
In this homework assignment students will use molecular dynamics to compute the elastic constants of metals using an embedded atom model to describe atomic interactions. They will deform a single crystal along different directions and obtain c11, c12 and c44 elastic constants from the...
-
Melting via molecular dynamics simulations
Teaching Materials | 10 Mar 2015 | Contributor(s):: Alejandro Strachan
In this assignment you will use MD simulations to study melting in metals using the nanoMATERIALS simulation tool in nanoHUB. You will build a supercell and heat it up to study its melting. You can visualize the atomic configuration as the temperature is increased and after melting. From the...
-
Nanomaterial Registry
Data Exploration | 06 Mar 2015 | Contributor(s):: NanomaterialRegistry
This project has been retired.