DFT calculations of materials

Molecular Dynamics simulations of nano-materials

Learn about Sim2Ls – a product to deliver simulations with validated inputs, outputs and simulation caching in nanoHUB

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.

Tool to simulate both micro-scale thin-film thermoelectric devices and large-scale multi-element thermoelectric modules for cooling and power generation

Play a 2-D diffusion game

This teaching resource is designed for instructors who would like to introduce exploration through simulation into their lessons on silicon oxidation.  Step-by-step instructions are provided for running the process lab oxidation simulation, and guiding questions are provided that should help students discover important trends in the oxidation rate when different process parameters are changed.

This lab explores the kinetics of nucleation, crystallization, and growth processes using nanoHUB tools.

Kinetics of Materials and Process Design (MATE 370) is a 4-unit major course for junior-year undergraduate students of the Materials Engineering Department, Cal Poly State University. The Materials Engineering Department endorses the applications of theory to practice through its…

This animation shows the various steps that are involved in semiconductor IC fabrication. The processes are shown on a single block of silicon substrate although the real process is done on a large silicon wafer.

C-V (or capacitance-voltage) profiling refers to a technique used for the characterization of semiconductor materials and devices. C-V testing is often used during the characterization process to determine semiconductor parameters, particularly in MOSCAP and MOSFET structures.

C-V measurements can reveal oxide thickness, oxide charges, contamination from mobile ions, and interface trap density in wafer processes. In this image the C-V profile for a bulk p-type substrate MOSCAP with different …

This video shows the use of the Drift-Diffusion Lab to simulate drift and diffusion carrier mechanisms in a semiconductor. The examples demonstrated will be helpful to a first time user in understanding the use of the tool.

Fermi-Dirac statistics is applied to identical particles with half-integer spin (such as electrons) in a system that is in thermal equilibrium. Since particles are assumed to have negligible mutual interactions, this allows a multi-particle system to be described in terms of single-particle energy states. Fermi-Dirac statistics are commonly used in semiconductors to find the distribution of electrons as a function of energy. …

This animation shows how semiconductor crystals work and how they are used to make transistor switches.

Microelectronic devices are made by repeating two steps: 1) Depositing a thin uniform layer of material; 2) Then using a photographic process to pattern and remove unwanted areas of that layer.

This video shows the simulation and analysis of a MOSFET device using the MOSFet tool. Several powerful analytic features of this tool are demonstrated.

A PN junction is formed by joining p-type and n-type doped semiconductors together in very close contact. The p- and n-type semiconductors are conducting because of the available free carriers. However, because the carriers diffuse into the adjoining p and n regions by a process called…

This video shows the simulation and analysis of a several PN junctions using PN Junction Lab, which is powered by PADRE. Several powerful analytic features of this tool are demonstrated.

Threshold voltage in a metal oxide semiconductor field-effect transistor (better known as a MOSFET) is usually defined as the gate voltage at which an inversion layer forms at the interface between the insulating layer (oxide) and the substrate (body) of the transistor. A MOSFET is said to be turned ON or be in the ON state beyond the threshold voltage.

With the scaling of MOSFET channel lengths, researchers are looking at new transistor designs. Among them is the gate-all-around nanowire …

Electrons tunneling through the gate of an ultra-scaled transistor.

Why are Crystals important for material engineering? This project tested different crystals with varying band gaps in order to demonstrate the relationship between observable optical properties and physical properties of crystals.

Observe changes in powder XRD spectra by modifying experimental parameters.

Simulates Growth, Impingement, and Coarsening of a Two Dimensional Polycrystal

Simulate solar thermoelectric generator using both the Seebeck and Peltier Effect.

Understand N-Type and P-Type Semiconductor Doping.