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Full-Text Articles in Nanoscience and Nanotechnology
Nanomechanics Simulation Toolkit - Dislocations Make Or Break Materials, Michael N. Sakano, Alejandro Strachan, David Johnson, Mitchell Wood
Nanomechanics Simulation Toolkit - Dislocations Make Or Break Materials, Michael N. Sakano, Alejandro Strachan, David Johnson, Mitchell Wood
The Summer Undergraduate Research Fellowship (SURF) Symposium
The goal of computational material science is to improve existing materials and design new ones through mathematical calculations. In particular, molecular dynamic simulations can allow for visualization of dislocations in a material, along with its resulting behavior when under stress. For example, plastic deformation and strain hardening result from the movement, multiplication and interaction of dislocations within the crystal structure. A simulation tool to study these phenomena was developed for the nanoHUB web resource as a part of the Network for Computational Nanotechnology at Purdue University and targets audiences ranging from undergraduate students to researchers. We created a user-friendly environment …
Simplified Generation Of The Input Models Of Object Oriented Micromagnetic Framework (Oommf), Jinyang Yu, Rafatul Faria, Supriyo Datta, Tanya A. Faltens
Simplified Generation Of The Input Models Of Object Oriented Micromagnetic Framework (Oommf), Jinyang Yu, Rafatul Faria, Supriyo Datta, Tanya A. Faltens
The Summer Undergraduate Research Fellowship (SURF) Symposium
Object Oriented MicroMagnetic Framework (OOMMF) is a micromagnetic simulation tool. It takes a memory initialization file (MIF) as the input and outputs various forms of data such as data table, graph and magnetic configuration plots. It is accurate and fast compared to other existing tools such as MATLAB. Few experimentalists used it in the past, however, due to two main reasons. First, OOMMF requires a specific version of programming environment on the local computer which is difficult to be installed. Second, MIF file is very complicated to code and it also requires users to read a lengthy guidelines. Our solution …
Bayesian Calibration Tool, Sveinn Palsson, Martin Hunt, Alejandro Strachan
Bayesian Calibration Tool, Sveinn Palsson, Martin Hunt, Alejandro Strachan
The Summer Undergraduate Research Fellowship (SURF) Symposium
Fitting a model to data is common practice in many fields of science. The models may contain unknown parameters and often, the goal is to obtain good estimates of them. A variety of methods have been developed for this purpose. They often differ in complexity, efficiency and accuracy and some may have very limited applications. Bayesian inference methods have recently become popular for the purpose of calibrating model's parameters. The way they treat unknown quantities is completely different from any classical methods. Even though the unknown quantity is a constant, it is treated as a random variable and the desired …
The Simulation Of Resonant Tunneling Diodes, Woodrow A. Gilbertson, Pengyu Long, Jim Fonseca, Gerhard Klimeck
The Simulation Of Resonant Tunneling Diodes, Woodrow A. Gilbertson, Pengyu Long, Jim Fonseca, Gerhard Klimeck
The Summer Undergraduate Research Fellowship (SURF) Symposium
The goal of this project is to improve the simulation of an electrical device known as a Resonant Tunneling Diode (RTD). Diodes are in most electronic devices today, but RTDs have 10 times greater switching speeds than regular diodes. This increase in efficiency would have impacts from supercomputers to the next big cell phone. The increased functionality of the simulation tool will come from implementing more recent mathematical solvers and modeling techniques. The simulation tool makes use of a variant of Non-Equilibrium Green Functions (NEGF) with an effective mass approximation. The two contacts are treated as equilibrium regions and the …