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
Introduction to Heterogeneous Integration and Electronics Packaging
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Blockchain & Proof of Useful Work
01 Jul 2022 | Online Presentations | Contributor(s): Alejandro Strachan, Oneal Douglin, Yu-Chung Chang, Alfonso Daniel Meraz, Brian Hyun-jong Lee, Shivam Tripathi
GPU Implementation of MXMNet
01 Jun 2022 | Tools | Contributor(s): Juan Carlos Verduzco Gastelum, Alejandro Strachan
Pilling-Bedworth Ratio Calculator
15 Apr 2022 | Tools | Contributor(s): Zachary D McClure, Alejandro Strachan
Query unit cell structures from the Materials Project and calculate Pilling-Bedworth Ratio between metal and oxides
Learning and Teaching Data Science using nanoHUB’s Cloud Resources
18 Mar 2022 | Online Presentations | Contributor(s): Alejandro Strachan
This talk will discuss how data science is accelerating innovation in STEM fields. These tools enable the efficient handling of valuable data, the identification of patterns in large data collections, the development of predictive models, and the optimal design of experiments.
Refractory Oxidation Database
19 Apr 2022 | Tools | Contributor(s): Saswat Mishra, Sharmila Karumuri, Michael S Titus, Ilias Bilionis, Alejandro Strachan
Creates a database of refractory alloys oxidation
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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 a...
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...
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