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Physical Sciences and Mathematics Commons™
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Full-Text Articles in Physical Sciences and Mathematics
Building Predictive Chemistry Models, Christopher Browne, Nicolas Onofrio, Alejandro Strachan
Building Predictive Chemistry Models, Christopher Browne, Nicolas Onofrio, Alejandro Strachan
The Summer Undergraduate Research Fellowship (SURF) Symposium
Density Functional Theory (DFT) simulations allow for sophisticated modeling of chemical interactions, but the extreme computational cost makes it inviable for large scale applications. Molecular dynamics models, specifically ReaxFF, can model much larger simulations with greater speed, but with lesser accuracy. The accuracy of ReaxFF can be improved by comparing predictions of both methods and tuning ReaxFF’s parameters. Molecular capabilities of ReaxFF were gauged by simulating copper complexes in water over a 200 ps range, and comparing energy predictions against ReaxFF. To gauge solid state capabilities, volumetric strain was applied to simulated copper bulk and the strain response functions used …
Improved Microrobotic Control Through Image Processing And Automated Hardware Interfacing, Archit R. Aggarwal, Wuming Jing, David J. Cappelleri
Improved Microrobotic Control Through Image Processing And Automated Hardware Interfacing, Archit R. Aggarwal, Wuming Jing, David J. Cappelleri
The Summer Undergraduate Research Fellowship (SURF) Symposium
Untethered submilliliter-sized robots (microrobots) are showing potential use in different industrial, manufacturing and medical applications. A particular type of these microrobots, magnetic robots, have shown improved performance in power and control capabilities compared to the other thermal and electrostatic based robots. However, the magnetic robot designs have not been assessed in a robust manner to understand the degree of control in different environments and their application feasibility. This research project seeks to develop a custom control software interface to provide a holistic tool for researchers to evaluate the microrobotic performance through advance control features. The software deliverable involved two main …