Engineering Commons^™

Doube-Pulse Laser-Induced Breakdown Spectroscopy Of Multi-Element Sample Containing Low- And High-Z Analytes, Patrick J. Skrodzki, Jason R. Becker, Prasoon K. Diwakar Ph. D., Sivanandan S. Harilal Ph. D., Ahmed Hassanein Ph. D.

The Summer Undergraduate Research Fellowship (SURF) Symposium

Laser-induced breakdown spectroscopy (LIBS) is a portable, remote, non-invasive analytical technique which effectively distinguishes neutral and ionic species for a range of low- to high-Z elements in a multi-element target. Subsequently, LIBS holds potential in special nuclear material (SNM) sensing and nuclear forensics requiring minimal sample preparation and detecting isotopic shifts which allows for differentiation in SNM (namely U) enrichment levels. Feasible applications include not only nonproliferation and homeland security but also nuclear fuel prospecting and industrial safeguard endorsement. Elements of higher mass with complex atomic structures, such as U, however, result in crowded emission spectra with LIBS, and characteristic …

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 …

The Use Of Object-Oriented Programming Concepts For Documenting A Model Ensemble, Georgii A. Alexandrov

International Congress on Environmental Modelling and Software

The spread of cloud computing services gives community modelling a reasonable opportunity to become a reality in scientific research. However, even if models will be deployed in clouds, and model codes will be open for re-use, there will be little progress in community modelling in the lack of consensus standards for model documentation. This paper is to discuss a conceptual framework for developing such standards. The proposed conceptual framework is based on the idea that a new model is often a modification of an old one, and hence, the similarities between the models of the same environmental process could be …

Elementary Studies Of Twisted Bilayer Graphene, Branden P. Burns, Yong P. Chen

The Summer Undergraduate Research Fellowship (SURF) Symposium

In the nanotechnology field, some existing materials and applications are harmful to the environment, not efficient for certain tasks, or too expensive to be fully utilized. Graphene is a strong and cheap material that can be used to improve current nanotechnologies for more practical uses in society. Twisted bilayer graphene (TBG) is an orientation of graphene layers that exhibit different properties than regular bilayer graphene. It is made by placing a single layer of graphene on top of another at an angle with respect to the other lattice orientation. Understanding the characteristics of TBG is important to uncover more physics …

High Pressure Structural Studies On Nb5si3 Up To 26.2 Gpa, Brandon Stewart, Ravhi S. Kumar

Undergraduate Research Opportunities Program (UROP)

With the use of synchrotron techniques, we can better understand how crystalline structures behave under extreme conditions. This yields the opportunity to resolve complex crystal structures [1]. Here, we focus on the high pressure crystal structure of Nb5Si3. Refractory metal silicides are an important class of materials as they are used in high temperature applications such as turbines and aerospace modules. As an example, the performance of a jet engine is highly influenced by the maximum internal pressure and temperature possible. Obtaining higher levels of thrust is dependent upon the material's ability to remain structurally sound under extreme temperatures and …

Structure Studies On Lanthanide Technetium Pyrochlores As Prospective Host Phases To Immobilize 99- Technetium And Fission Lanthanides From Effluents Of Reprocessed Used Nuclear Fuels, Thomas Hartmann, Ariana Alaniz

Festival of Communities: UG Symposium (Posters)

We performed a systematic investigation of the incorporation of 99Tc into pyrochlore oxide structures, Ln2Tc2O7, where Ln represents trivalent lanthanide Ln3+ cations, while 99Tc is atetravalent, Tc4+, metal cation. Pyrochlore compounds are high-melting temperature oxides and are recognized for their durability. Our goal in this preliminary study is to characterize and quantify the range of stability of the lanthanum technetium pyrochlore oxide phase. Hereby, powder X-ray diffraction (XRD) and Rietveld analysis were used to determine and characterize the crystalline phase content with high accuracy, and scanning electron microscopy (SEM) was used to characterize the microstructure and homogeneity of the synthesized …

Entangling The Lattice Clock With Rydberg Gates, Frank J. Greenhalgh

Festival of Communities: UG Symposium (Posters)

Knowledge of the exact time is critical to many engineers and planetary experts; unfortunately atomic clocks can't have infinite accuracy by Heisenberg's uncertainty principle. To attain accuracy past the limit we have achieved today, we will design a critical improvement of the atomic clock via the Rydberg gates method. Rydberg gates synchronize the atomic states so that they are more sensitive which will greatly increase the accuracy. This project will introduce fast acting Rydberg gates to an existing atomic clock layout. The Rydberg gates will allow the clock to entangle atoms in less time, thus decreasing decoherence effects on the …

Aspect Ratio Dependent Buckling Mode Transition In Single-Walled Carbon Nanotubes Under Compression, Jeremy Feliciano

Festival of Communities: UG Symposium (Posters)

Using molecular dynamics simulations, we study axial compressive behavior of single-walled carbon nanotubes (SWCNTs) with a wide range of aspect ratios (length to diameter ratio). It is shown that the difference in aspect ratio leads to distinct buckling modes in SWCNTs. Small-aspect-ratio SWCNTs primarily exhibit shell buckling; they switch to column buckling mode with increasing aspect ratio. Further compression of the already column buckled large-aspect-ratio SWCNTs results in a shell buckling. This shell buckling mode is distinct from that of small-aspect-ratio SWCNTs in that it originates from the column buckling induced bending deformation.

X-Ray Diffraction On The Thermoelectric Silicides At High Pressure, Deep Patel, Ravhi S. Kumar, Andrew Cornelius

Festival of Communities: UG Symposium (Posters)

Cobalt Silicide (CoSi2) is a transition metal disilicide that has gathered scientific interest due to its interesting thermoelectric properties and applications in silicon-based devices because of their high temperature stability. It has been reported that CoSi2 undergoes a phase transition at around 0.4 GPa and again at 13 GPa. Furthermore, at 13 GPa the material changes from a cubic cell to an orthorhombic cell, but details of the phase transition at 0.4 GPa could not be determined. To further study the properties of CoSi2 and understand its pressure induced phase changes, we recorded the structural behavior of CoSi2 under pressure.

Computational Study Of Carbon Nanotubes Under Strain, Jeremy Feliciano, William Wolfs

Festival of Communities: UG Symposium (Posters)

We perform computational studies of carbon nanotubes (CNTs) using molecular dynamics simulations to examine the behavior of single-walled (SW) and multiwalled (MW) CNTs under large compressive and bending strains. We study the effects of defects, heating and chirality on their properties. Research on CNTs holds great promise for developing new advanced materials in applications ranging from high-strength composites to next-generation electronics.

Graphene: Material That Will Change The Future, Jigar Desai, Darryl Reese

Festival of Communities: UG Symposium (Posters)

Graphene is the most recent material discovered by scientists and is a star on the horizon of materials science and condensed matter physics. The one atom thick, two dimensional materials is an amazing conductor of electricity. Although graphene was not discovered completely until 2004, it has already revealed potential applications and scientists have begun researching ways of developing graphene products for the market. Only two products have been successfully produced so far, but scientists have encountered amazing results. This material has many potential applications in the real world and is about to change the future in a positive way.

Investigation Of Structural And Magnetic Properties Of Iron Clusters Encapsulated In Carbon, Andrew Mohrland, Eunja Kim, Phillipe Weck, Pang Tao, Kenneth Czerwinski

Festival of Communities: UG Symposium (Posters)

Our goal is to investigate and predict the properties of iron-carbon nanostructures by performing numerical calculations using the density-functional theory. We are interested in which nanostructures are most stable, and in how they are likely to form. We have a particular interest in the magnetic properties of carbon "buckyballs" containing iron particles. These structures have potential for biomedical application, including use in anti-cancer treatment. Lone iron clusters have potential for use as a catalyst designed to reduce vehicle emissions.

The Effects Of Pressure On Wide Bandgap Gan Semiconductors, William Kang, Linda Tran, Eunja Kim

Undergraduate Research Opportunities Program (UROP)

Gallium nitride (GaN) is a group-III nitride semiconductor; which may prove useful in developing optical instruments that operate under high ambient pressures. The purpose of this project is to examine the properties of GaN under varying conditions. The methods used in this experiment consist of modeling free energy as a function of lattice constants; calculating bond lengths, bond strengths, and bulk moduli; and comparing the resultant data with values in published literature. We will also compare these results with experimental data drawn from x-ray diffraction scans. By doing so, we hope to determine whether gallium nitride is suitable for use …

Structural Studies Of Crsi2 At High Pressures And Temperatures, Weldu Gabrimicael, Ravhi S. Kumar, Andrew Cornelius

Undergraduate Research Opportunities Program (UROP)

It is of extreme importance to develop new potential energy sources to reduce dependence on fossil fuels. As a result of this, the study of thermoelectric materials, capable of changing heat into electrical energy, has become a field of great interest regarding fundamental properties. To help better understand these materials, facilities for the measurement of relevant properties at high pressure have been developed, but lack the ability to characterize the materials at high temperature and pressure. Therefore, this project has the goal of developing a heater arrangement to be used in conjunction with the high pressure capabilities already developed to …

Raman Studies Of 1,3,5,7 Cyclooctatetraene At High Pressure, Martin Galley, Ed Romano, Sergey Tkachev, Michael Pravica

Undergraduate Research Opportunities Program (UROP)

We performed Raman spectroscopic studies of 1,3,5,7-cyclooctatetraene at elevated pressures up to 10 GPa with the aim of examining possible planarization of the molecule and further studying two prior-discovered phases of the solid with pressure. The Raman excitation source was a Krypton-ion laser operating at 674.1 nm (give wavelength).

1,3,5,7 Cyclooctatetraene has an octagonal formation however it is not aromatic or anti-aromatic (not a subject to the 4n+2 Huckel’s rule) [1]. As a result, its adopts a somewhat reactive tub shape. Upon the addition or removal of one to two electrons under ambient conditions, the molecule planarizes and becomes aromatic …

Spatially Resolved Optical Absorption Spectrometry And Single Crystal Diffraction On Metamict Materials, Alison Savage, Oliver Tschauner, Sergey Tkachev

Undergraduate Research Opportunities Program (UROP)

A major goal in developing storage medium for radioactive waste is the identification of chemically suitable and durable material for storage in repositories (Lumpkin 2006). Radiation damage induces enhanced chemical diffusion and structural breakdown of the host materials, which can lead to contamination of the surrounding environment. During this project four different naturally occurring materials which are common carriers of thorium and uranium were examined : gadolinite, perrierite, allanite, and pyrochlore of which the first three are silicates and pyrochlore being an oxide. Their spectra and absorptions bands were examined to identify prominent features due to radiation damage. The goal …

Nuclear Energy, Steve Kraft

Native American Forum on Nuclear Issues

Abstract:

-Why Nuclear Energy?

-The lesson of the last 20 years in U.S. electricity policy:

– Diversified fuel and technology portfolio is essential

– All fuels and technologies (nuclear, coal, natural gas, renewables, efficiency) have a legitimate role

-The challenge for the future:

– Preserving/restoring diversified portfolio

– Ensuring resource adequacy, particularly in competitive markets

-Expanded use of nuclear energy is part of the answer

– Integrated used fuel management supports nuclear competitiveness