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The Summer Undergraduate Research Fellowship (SURF) Symposium

2013

Simulation

Articles 1 - 3 of 3

Full-Text Articles in Engineering

Next Generation Crystal Viewing Tool, Zach Schaffter, Gerhard Klimeck Oct 2013

Next Generation Crystal Viewing Tool, Zach Schaffter, Gerhard Klimeck

The Summer Undergraduate Research Fellowship (SURF) Symposium

The science and engineering community is limited when it comes to crystal viewing software tools. Each tool lacks in a different area such as customization of structures or visual output. Crystal Viewer 2.0 was created to have all of these features in one program. This one tool simulates virtually any crystal structure with any possible material. The vtkvis widget offers users advanced visual options not seen in any other crystal viewing software. In addition, the powerful engine behind Crystal Viewer 2.0, nanoelectronic modeling 5 or (NEMO5), performs intensive atomic calculations depending on user input. A graphical user interface, or GUI, …


Nanohub - Crystal Viewer 2.0, Kevin Margatan, Gerhard Klimeck Oct 2013

Nanohub - Crystal Viewer 2.0, Kevin Margatan, Gerhard Klimeck

The Summer Undergraduate Research Fellowship (SURF) Symposium

nanoHUB is an online compilation of tools for simulations. Equipped with 3-D simulations and a capability to solve very complex calculations, nanoHUB provides its users worldwide with various tools to help them finish their assignments. One of the tools available is called a Crystal Viewer Tool, an advanced crystal visualization tool. This tool allows users to generate various crystal types including their every single detail. Currently, a newer version, called Crystal Viewer 2.0, is being tested prior to its release. However, this tool is lacking some important features and a GUI that is not as user friendly as expected. The …


Python-Based Simulation Tool For Kinetic Monte Carlo, Zaiwei Zhang, R. Edwin García Oct 2013

Python-Based Simulation Tool For Kinetic Monte Carlo, Zaiwei Zhang, R. Edwin García

The Summer Undergraduate Research Fellowship (SURF) Symposium

Simulation tools are highly needed for testing or designing nanotechnology in university research projects.The problem in the current simulation tool used in our research, which is conducted by Prof.Garcia in MSE department at Purdue, is that users cannot observe the changing numbers of diffusivities during Vacancy Diffusion simulations between different materials. Also, there is no Graphic User Interface for the simulation tools.To solve the problem, the Virtual Kinetics of Materials Laboratory program is used to create the Graphic User Interface. Also, GTK+ toolkit has been used to create a pop-up window displaying updated diffusivities during the simulation. For user purpose, …