Visualize and interact with various Crystalline Materials and all Bravais Lattices

Analysis and feature detection in SEM images of Graphene.

Helps the user to determine the thickness of an overlayer material from XPS experiment data.

Drilling a nanopore in graphene by Si-nanoparticle bombardment

Visualize different crystal lattices and planes

Understand the dependence of resistance, R, inductance, L, and capacitance, C, on physical dimensions and material properties.

Atomic-Scale Simulation Tools to Explore Energy Conversion and Storage Materials

Easy-to-use interface for designing and analyzing electronic properties of different nano materials

Calculates the void fraction (pore volume) of nano-porous materials

Calculates the average surface of nano-porous materials

Machine learning and data science tools applied to materials science

Many macroscopic materials are made (or can only be made) with small particles. Therefore, a fundamental understanding of their microstructures and behavior when compacted is necessary to advance our models and industry.

This poster shows the development process of a tool that simulates the mechanical behavior of a binary mixture during compaction and unloading.

Powder Compaction is a manufacturing technology which is used to mold granular particles to solid materials. Powder compaction is widely used by pharmaceutical companies to manufacture tablets with desired properties. It is imperative to understand the mechanics underneath the constituent granular particles that eventually contribute to properties of the manufactured tablets because properties of the final products are results of the microstructures that evolve during compaction...

Powder compaction is the process of transforming granular media into a solid body with a high relative density (low porosity) and a unique anisotropic microstructure. It is critical to understand the physical mechanisms of the compaction process in order to identify powder properties and optimal process parameters for achieving desired properties of the final product. Tools that can simulate particle rearrangement and deformation during the compaction process are usually developed to guide…

Current nuclear reactor components consist of forged or casted Iron-based or Nickel-based alloys.  Both these fabrication techniques present challenges in long-term performance and structural integrity. A possible alternative investigated in this research includes Powder Metallurgy (PM) combined with Hot Isostatic Pressing (HIP).  Contributions to the research consisted of polishing, etching, and measuring the hardness and grain structures of the samples investigated.   

This tool simulates the mechanical behavior of a binary mixture during compaction

Future Transistors and Single Atom Transistors; New Modeling Tools (NEMO); nanoHUB: Cloud Computing – Software as a Service

Non-equilibrium MD simulations of heat transport in nano-materials

A phase field approach to plastic deformation in nano crystalline materials

Build thermoplastic polymer chains and run LAMMPS to relax the chains and study mechanical properties

Molecular Dynamics simulations of nano-materials

Simulates the exciton dynamics in organic photovolatic devices

These notebooks are examples and homework solutions for ME 581.