Physics Commons^™

Dealloying Behavior Of Nico And Nicocu Thin Films, Benjamin Peecher, Jennifer R. Hampton

Faculty Publications

Porous metals and alloys, such as those fabricated via electrochemical dealloying, are of interest for a variety of energy applications, ranging from their potential for enhanced catalytic behavior to their use as high surface area supports for pseudocapacitor materials. Here, the electrochemical dealloying process was explored for electrodeposited binary NiCo and ternary NiCoCu thin films. For each of the four different metal ratios, films were dealloyed using linear sweep voltammetry to various potentials in order to gain insight into the evolution of the film over the course of the linear sweep. Electrochemical capacitance, scanning electron microscopy, and energy dispersive X-ray …

Feasibility Of The Use Of Neutron Activation Analysis Techniques In An Underwater Environment, Michael D. Chick

Masters Theses & Specialist Projects

Elements when bombarded with neutrons emit a gamma ray that is characteristic of the isotope that underwent a neutron induced nuclear reaction; this is known as neutron activation. The characteristic gamma energy of an isotope can then be detected and recorded. One can then analyze the gamma energies captured and determine the elemental makeup of the sample. This form of analysis can be used in an underwater environment making it potentially a valuable tool for agencies tasked with maritime security of ports and waterways, or clean-up operations. This thesis will focus on the feasibility of neutron interrogation using pulsed fast/thermal …

First-Principles Calculated Decomposition Pathways For Libh4 Nanoclusters, Zhi-Quan Huang, Wei-Chih Chen, Feng-Chuan Chuang, Eric Majzoub, Vidvuds Ozoliņš

Physics Faculty Works

We analyze thermodynamic stability and decomposition pathways of LiBH4 nanoclusters using grand-canonical free-energy minimization based on total energies and vibrational frequencies obtained from density-functional theory (DFT) calculations. We consider (LiBH4)n nanoclusters with n = 2 to 12 as reactants, while the possible products include (Li)n, (B)n, (LiB)n, (LiH)n, and Li2BnHn; off-stoichiometric LinBnHm (m ≤ 4n) clusters were considered for n = 2, 3, and 6. Cluster ground-state configurations have been predicted using prototype electrostatic ground-state (PEGS) and genetic algorithm (GA) based structural optimizations. Free-energy calculations show hydrogen release pathways markedly differ from those in bulk LiBH4. While experiments have found …

0+ States In 130,132Xe: A Search For E(5) Behavior, Erin E. Peters, T. J. Ross, S. F. Ashley, Anagha Chakraborty, Benjamin P. Crider, M. D. Hennek, Sinong Liu, Marcus T. Mcellistrem, Sharmistha Mukhopadhyay, Francisco M. Prados-Estévez, Anthony Paul Ramirez, J. S. Thrasher, Steven W. Yates

Chemistry Faculty Publications

The level structures of ^130,132Xe were studied with the inelastic neutron scattering reaction followed by γ-ray detection. Level lifetimes were measured using the Doppler-shift attenuation method and low-lying excited states in these nuclei were characterized. With a focus on the decay properties of the 0⁺ states, these nuclei were examined as representations of the E(5) critical-point symmetry.

Ogden College Of Science & Engineering Newsletter (Summer 2016), Cheryl Stevens, Dean

Ogden College of Science & Engineering Publications

No abstract provided.

Communication: Visualization And Spectroscopy Of Defects Induced By Dehydrogenation In Individual Silicon Nanocrystals, Dmitry A. Kislitsyn, Jon M. Mills, Vancho Kocevski, Sheng-Kuei Chiu, William J.I. Debenedetti, Christian F. Gervasi, Benjamen N. Taber, Ariel E. Rosenfield, Olle Eriksson, Ján Rusz, Andrea Mitchell Goforth, George V. Nazin

Chemistry Faculty Publications and Presentations

We present results of a scanning tunneling spectroscopy (STS) study of the impact of dehydrogenation on the electronic structures of hydrogen-passivated silicon nanocrystals (SiNCs) supported on the Au(111)surface. Gradual dehydrogenation is achieved by injecting high-energy electrons into individual SiNCs, which results, initially, in reduction of the electronic bandgap, and eventually produces midgap electronic states. We use theoretical calculations to show that the STS spectra of midgap states are consistent with the presence of silicon dangling bonds, which are found in different charge states. Our calculations also suggest that the observed initial reduction of the electronic bandgap is attributable to the …

An Experimental And Theoretical Study Of Ã2A"Π–X~2A' Band System Of The Jet-Cooled Hbbr/Dbbr Free Radical, Mohammed Gharaibeh, Dennis J. Clouthier, Riccardo Tarroni

Chemistry Faculty Publications

The electronic spectra of the HBBr and DBBr free radicals have been studied in depth. These species were prepared in a pulsed electric discharge jet using a precursor mixture of BBr₃ vapor and H₂ or D₂ in high pressure argon. Transitions to the electronic excited state of the jet-cooled radicals were probed with laser-induced fluorescence and the ground state energy levels were measured from the single vibronic level emission spectra. HBBr has an extensive band system in the red which involves a linear-bent transition between the two Renner-Teller components of what would be a ²Π state …

Atomistic Corrective Scheme For Supercell Density Functional Theory Calculations Of Charged Defects, Tengfei Cao, Angelo Bongiorno

Publications and Research

A new method to correct formation energies of charged defects obtained by supercell densityfunctional calculations is presented and applied to bulk, surface, and low-dimensional systems. The method relies on atomistic models and a polarizable force field to describe a material system and its dielectric properties. The polarizable force field is based on a minimal set of fitting parameters, it accounts for the dielectric screening arising from ions and electrons separately, and it can be easily implemented in any software for atomistic molecular dynamics simulations. This work illustrates both technical aspects and applications of the new corrective scheme. The method is …

Light-Activated Photocurrent Degradation And Self-Healing In Perovskite Solar Cells, Wanyi Nie, Jean-Christophe Blancon, Amanda J. Neukirch, Kannatassen Appavoo, Hsinhan Tsai, Manish Chhowalla, Muhammad A. Alam, Matthew Y. Sfeir, Claudine Katan, Jacky Even, Sergei Tretiak, Jared J. Crochet, Gautam Gupta, Aditya D. Mohite

Publications and Research

Solution-processed organometallic perovskite solar cells have emerged as one of the most promising thin-film photovoltaic technology. However, a key challenge is their lack of stability over prolonged solar irradiation. Few studies have investigated the effect of light soaking on hybrid perovskites and have attributed the degradation in the optoelectronic properties to photochemical or field-assisted ion migration. Here we show that the slow photocurrent degradation in thin-film photovoltaic devices is due to the formation of light-activated meta-stable deep-level trap states. However, the devices can self-heal completely by resting them in the dark for <1 min or the degradation can be completely prevented by operating the devices at 0°C. We investigate several physical mechanisms to explain the microscopic origin for the formation of these trap states, among which the creation of small polaronic states involving localized cooperative lattice strain and molecular orientations emerges as a credible microscopic mechanism requiring further detailed studies.

A Direct Mechanism Of Ultrafast Intramolecular Singlet Fission In Pentacene Dimers, Eric G. Fuemmeler, Samuel N. Sanders, Andrew B. Pun, Elango Kumarasamy, Tao Zeng, Kiyoshi Miyata, Michael L. Steigerwald, X.-Y. Zhu, Matthew Y. Sfeir, Luis M. Campos, Nandini Ananth

Publications and Research

Interest in materials that undergo singlet fission (SF) has been catalyzed by the potential to exceed the Shockley–Queisser limit of solar power conversion efficiency. In conventional materials, the mechanism of SF is an intermolecular process (xSF), which is mediated by charge transfer (CT) states and depends sensitively on crystal packing or molecular collisions. In contrast, recently reported covalently coupled pentacenes yield ∼2 triplets per photon absorbed in individual molecules: the hallmark of intramolecular singlet fission (iSF). However, the mechanism of iSF is unclear. Here, using multireference electronic structure calculations and transient absorption spectroscopy, we establish that iSF can occur via …

The Evaluation And Implementation Of Magnetic Fields For Large Strain Uniaxial And Biaxial Cyclic Testing Of Magnetorheological Elastomers., Dave Gorman, Niall Murphy, Ray Ekins, Stephen Jerrams

Articles

Magnetorheological Elastomers (MREs) are “smart” materials whose physical properties are altered by the application of magnetic fields. In previous studies the properties of MREs have been evaluated under a variety of conditions, however little attention has been paid to the recording and reporting of the magnetic fields used in these tests [1]. Currently there is no standard accepted method for specifying the magnetic field applied during MRE testing. This study presents a detailed map of a magnetic field applied during MRE tests as well as providing the first comparative results for uniaxial and biaxial testing under high strain fatigue test …

Polyglutamine Aggregates Impair Lipid Membrane Integrity And Enhance Lipid Membrane Rigidity, Chian Sing Ho, Nawal K. Khadka, Fengyu She, Jianfeng Cai, Jianjun Pan

Physics Faculty Publications

Lipid membranes are suggested as the primary target of amyloid aggregates. We study aggregates formed by a polyglutamine (polyQ) peptide, and their disruptive effect on lipid membranes. Using solution atomic force microscopy (AFM), we observe polyQ oligomers coexisting with short fibrils, which have a twisted morphology that likely corresponds to two intertwined oligomer strings. Fourier transform infrared spectroscopy reveals that the content of β-sheet enriched aggregates increases with incubation time. Using fluorescence microscopy, we find that exposure to polyQ aggregates results in deflated morphology of giant unilamellar vesicles. PolyQ aggregates induced membrane disruption is further substantiated by time-dependent calcein leakage …

Synthesis And Characterization Of Organic-Inorganic Hybrid Materials For Thermoelectric Devices, Paige M. Huzyak

Masters Theses & Specialist Projects

The development of organic-inorganic hybrid materials is of great interest in thermoelectrics for its potential to combine the desirable characteristics of both classes of materials. Thermoelectric materials must combine low thermal conductivity with high electrical conductivity, but in most materials, thermal and electrical conductivity are closely related and positively correlated. By combining the low thermal conductivity, flexibility, facile processing, and low cost of organic components with the high electrical conductivity and stability of inorganic components, materials with beneficial thermoelectric properties may be realized.

Here, we describe the synthesis and characterization of anthracene-containing organic-inorganic hybrid materials for thermoelectric purposes. Specifically, POSS-ANT …

Volume 08, Meghan Enzinna, Casey Dawn Gailey, Raven Collins, Chiara Enriquez, Amelia Mcconnell, Alexander Morton, Emma Beckett, Leah G. Parr, Briana Adhikusuma, Taylor Embrey, Rowan Davis, Danielle Sisson, Bianca Cherry, Melissa Cacho, Chloe Woodward, Catherine Rollins, Carson Reeher, Landon Cooper, Haley Vasquez, Marlisha Stewart, Eric Whitehead, Sabrina Walker, James Bates

Incite: The Journal of Undergraduate Scholarship

Introduction from Interim Dean Dr. Jennifer Apperson

Indigenous Peoples and the Modern Era by Meghan Enzinna

"Who Says": How Selena Gomez and the Scene Attempt to Subvert the Popular Standards of Beauty by Casey Dawn Gailey

Art by Raven Collins

Meltdown on Social Media: Amy's Baking Company Meets Kitchen Nightmares by Nathena Haddrill

Art by Chiara Enriquez

Design by Amelia Mcconnell

Worth More Than a Thousand Words: A Visual Rhetorical Discussion of Virtual Reality by Examining "Clouds Over Sidra" by Alexander Morton

Design by Emma Beckett

The Sonata: An Analysis of Piano Sonata No. 14 in C Minor, K. …

Characteristic Length Scales Of The Secondary Relaxations In Glass-Forming Glycerol, Sudipta Gupta, Eugene Mamontov, Niina Jalarvo, Laura Stingaciu, Michael Ohl

Faculty Publications

We investigate the secondary relaxations and their link to the main structural relaxation in glass-forming liquids using glycerol as a model system. We analyze the incoherent neutron scattering signal dependence on the scattering momentum transfer, Q , in order to obtain the characteristic length scale for different secondary relaxations. Such a capability of neutron scattering makes it somewhat unique and highly complementary to the traditional techniques of glass physics, such as light scattering and broadband dielectric spectroscopy, which provide information on the time scale, but not the length scales, of relaxation processes. The choice of suitable neutron scattering techniques depends …

Glass Polymorphism In Glycerol–Water Mixtures: Ii. Experimental Studies, Johannes Bachler, Violeta Fuentes-Landete, David A. Jahn, Jessina Wong, Nicolas Giovambattista, Thomas Loerting

Publications and Research

We report a detailed experimental study of (i) pressure-induced transformations in glycerol–water mixtures at T = 77 K and P = 0–1.8 GPa, and (ii) heating-induced transformations of glycerol–water mixtures recovered at 1 atm and T = 77 K. Our samples are prepared by cooling the solutions at ambient pressure at various cooling rates (100 K s1–10 K h1) and for the whole range of glycerol mole fractions, wg. Depending on concentration and cooling rates, cooling leads to samples containing amorphous ice (wg Z 0.20), ice (wg r 0.32), and/or ‘‘distorted ice’’ (0 o wg r 0.38). Upon compression, we …

Ogden College Of Science & Engineering Newsletter (Spring 2016), Cheryl Stevens, Dean, Ogden College Of Science & Engineering

Ogden College of Science & Engineering Publications

No abstract provided.

Study Of Infrared Emission Spectroscopy For The B 1Δg- A 1Πu And B ′1Σg +- A 1Πu Systems Of C2, Wang Chen, Kentarou Kawaguchi, Peter F. Bernath, Jian Tang

Chemistry & Biochemistry Faculty Publications

Thirteen bands for the B¹Δ_g-A¹Π_u system and eleven bands for the B′¹Σ_g ⁺-A¹Πu system of C₂ were identified in the Fourier transform infrared emission spectra of hydrocarbon discharges. The B′¹Σ_g ⁺ v = 4 and the B¹Δ_g v = 6, 7, and 8 vibrational levels involved in nine bands were studied for the first time. A direct global analysis with Dunham parameters was carried out satisfactorily for the B¹Δ_g-A¹Π_u system except for a …

Structural Dependence Of The In Vitro Cytotoxicity, Oxidative Stress And Uptake Mechanisms Of Poly(Propylene Imine) Dendritic Nanoparticles, Humza Khalid, Sourav Prasanna Mukherjee, Luke O'Neill, Hugh Byrne

Articles

The in vitro cytotoxic and intracellular oxidative stress responses to exposure to poly (propylene imine) (PPI) dendritic nanoparticles of increasing generation (number of repeated branching cycles) (G0-G4) were assessed in an immortal non-cancerous human keratinocyte cell-line (HaCaT). Confocal fluorescence microscopy with organelle staining was used to explore the uptake and intracellular trafficking mechanisms. A generation and dose dependent cytotoxic response was observed, increasing according to generation and therefore number of surface amino groups. A comparison of the cytotoxic response of G4 PPI and the related G4 Poly (amido amine) dendrimer indicates that the PPI with the same number of surface …

Neutron And Magnetic Studies Of La₀.₇Sr₀.₃Mn₁₋ₓcrₓo₃(X ≤ 0.7): A Homogeneous Charge-Ordered System, Thomas F. Creel, Jinbo Yang, Satish K. Malik, Sylvio Quezado, Oran Allan Pringle, William B. Yelon, William Joseph James

Physics Faculty Research & Creative Works

Structural and magnetic properties of La_0.7Sr_0.3Mn_1-xCr_xO₃ (0 < x ≤ 0.7) have been studied in order to determine the effect of substitution of Cr³⁺ for Mn³⁺. The data consist of neutron and x-ray powder-diffraction and magnetization measurements. We previously suggested these systems transition from ferromagnetic to antiferromagnetic ordering with the intermediate concentrations containing coexisting ferromagnetic and antiferromagnetic domains. Upon further detailed examination, we find that the neutron data can be fit using a single homogeneous long-range magnetically ordered state and compositionally dependent charge ordering. The magnetic structures are controlled by the competition between Mn-Mn, Mn-Cr, and Cr-Cr interactions (double exchange and superexchange). The metal to …

Hyperfine Rather Than Spin Splittings Dominate The Fine Structure Of The B 4Σ-–X 4Σ- Bands Of Aic, Dennis J. Clouthier, Aimable Kalume

Chemistry Faculty Publications

Laser-induced fluorescence and wavelength resolved emission spectra of the B ⁴Σ⁻–X ⁴Σ⁻ band system of the gas phase cold aluminum carbide free radical have been obtained using the pulsed discharge jet technique. The radical was produced by electron bombardment of a precursor mixture of trimethylaluminum in high pressure argon. High resolution spectra show that each rotational line of the 0-0 and 1-1 bands of AlC is split into at least three components, with very similar splittings and intensities in both the P- and R-branches. The observed structure was reproduced by assuming b …

Effect Of Spalled Particles Thermal Degradation On A Hypersonic Flow Field Environment, Raghava S. C. Davuluri, Huaibao Zhang, Alexandre Martin

Mechanical Engineering Faculty Publications

Two-way coupling is performed between a spallation code and a hypersonic aerothermodynamics CFD solver to evaluate the effect of spalled particles on the flow field. Time accurate solutions are computed in argon and air flow fields. A single particle simulations and multiple particles simulations are performed and studied. The results show that the carbon vapor released by spalled particles tend to change the composition of the flow field, particularly the upstream region of the shock.

Multi-Frequency Ferromagnetic Resonance Investigation Of Nickel Nanocubes Encapsulated In Diamagnetic Magnesium Oxide Matrix, Saritha Nellutla, Sudhakar Nori, Srinivasa R. Singamaneni, John T. Prater, Jagdish Narayan, Alix I. Smirnov

Chemical Sciences Faculty Publications

Partially aligned nickel nanocubes were grown epitaxially in a diamagnetic magnesium oxide (MgO:Ni) host and studied by a continuous wave ferromagnetic resonance (FMR) spectroscopy at the X-band (9.5 GHz) from ca. 117 to 458 K and then at room temperature for multiple external magnetic fields/resonant frequencies from 9.5 to 330 GHz. In contrast to conventional magnetic susceptibility studies that provided data on the bulk magnetization, the FMR spectra revealed the presence of three different types of magnetic Ni nanocubes in the sample. Specifically, three different ferromagnetic resonances were observed in the X-band spectra: a line 1 assigned to large nickel …

Sign Learning Kink-Based (Silk) Quantum Monte Carlo For Molecular Systems, Xiaoyao Ma, Randall W. Hall, Frank Loffler, Karol Kowalski, Kiran Bhaskaran-Nair, Mark Jarrell, Juana Moreno

Collected Faculty and Staff Scholarship

The Sign Learning Kink (SiLK) based Quantum Monte Carlo (QMC) method is used to calculate the ab initioground state energies for multiple geometries of the H₂O, N₂, and F₂ molecules. The method is based on Feynman’s path integral formulation of quantum mechanics and has two stages. The first stage is called the learning stage and reduces the well-known QMC minus sign problem by optimizing the linear combinations of Slater determinants which are used in the second stage, a conventional QMC simulation. The method is tested using different vector spaces and compared to the results of …

Electropolymerized Layersas Selective Membranesin First Generation Uric Acid Biosensors, Kaiwen Chen, Grace E. Conway, Gregory A. Hamilton, Matthew L. Trawick, Michael C. Leopold

Chemistry Faculty Publications

Electropolymerized films that can serve as semi-permeable membranes and provide selectivity within a xerogel-based, 1^stgeneration biosensor assembly are explored in this study. Layered biosensing schemes of this nature rely primarily upon an electropolymerized ad-layer to supplement the xerogel and provide effective selectivity for detection of a targeted analyte. While effective electropolymers have been established for glucose sensing, the adaptation of the strategy to other analytes of clinical importance hinges upon the systematic evaluation of electropolymerized films to identify a selective film. Uric acid is a key species in the diagnosis/monitoring of a number of diseases and conditions. An …

The Virtual Atomic And Molecular Data Centre (Vamdc) Consortium, Marie-Lise Dubernet, B. K. Antony, Ernesto Quintas-Sánchez, For Full List Of Authors, See Publisher's Website.

Chemistry Faculty Research & Creative Works

The Virtual Atomic and Molecular Data Centre (VAMDC) Consortium is a worldwide consortium which federates atomic and molecular databases through an e-science infrastructure and an organisation to support this activity. About 90% of the inter-connected databases handle data that are used for the interpretation of astronomical spectra and for modelling in many fields of astrophysics. Recently the VAMDC Consortium has connected databases from the radiation damage and the plasma communities, as well as promoting the publication of data from Indian institutes. This paper describes how the VAMDC Consortium is organised for the optimal distribution of atomic and molecular data for …

Uv Light-Induced Aggregation Of Titania Submicron Particles, Can Zhou, Yashar Bashirzadeh, Timothy A. Bernadowsky Jr., Xiaoyu Zhang

Mechanical & Aerospace Engineering Faculty Publications

In this study, aggregation of TiO₂ (rutile and anatase) submicron particles in deionized (DI) water under ultra-violet (UV) light irradiation was investigated. While no aggregation was observed in the dark, rutile and anatase submicron particles started aggregating upon application of UV light and ceased aggregation in about 2 and 8.4 h, respectively. It has been demonstrated that UV light directly mitigated the particle mobility of TiO₂, resulting in a neutralization effect of the Zeta potential. It was also observed that rutile particles aggregated much faster than anatase particles under UV radiation, indicating that the Zeta potential of …

Validation Of Ace-Fts Version 3.5 Noy Species Profiles Using Correlative Satellite Measurements, Patrick E. Sheese, Kaley A. Walker, Chris D. Boone, Chris A. Mclinden, Peter F. Bernath, Adam E. Bourassa, John P. Burrows, Doug A. Degenstein, Bernd Funke, Didier Fussen

Chemistry & Biochemistry Faculty Publications

The ACE-FTS (Atmospheric Chemistry Experiment - Fourier Transform Spectrometer) instrument on the Canadian SCISAT satellite, which has been in operation for over 12 years, has the capability of deriving stratospheric profiles of many of the NOy (N + NO + NO₂ + NO₃ + 2 x N₂O₅ + HNO₃ + HNO₄ + ClONO₂ + BrONO₂) species. Version 2.2 of ACE-FTS NO, NO₂, HNO₃, N₂O₅, and ClONO₂ has previously been validated, and this study compares the most recent version (v3.5) of …

Tio2-Based Nanomaterials For Advanced Environmental And Energy-Related Applications, Xujie Lü, Baoyu Xia, Yefeng Yang, Hao Tang

Physics Faculty Publications

No abstract provided.

Concerted Hydrogen-Bond Breaking By Quantum Tunneling In The Water Hexamer Prism, Jeremy O. Richardson, Cristobal Perez, Simon Lobsiger, Adam A. Reid, Berhane Temelso, George C. Shields, Zbigniew Kisiel, David J. Wales, Brooks H. Pate, Stuart C. Althorpe

Faculty Journal Articles

The nature of the intermolecular forces between water molecules is the same in small hydrogen-bonded clusters as in the bulk. The rotational spectra of the clusters therefore give insight into the intermolecular forces present in liquid water and ice. The water hexamer is the smallest water cluster to support low-energy structures with branched three-dimensional

hydrogen-bond networks, rather than cyclic two-dimensional topologies. Here we report measurements of splitting patterns in rotational transitions of the water hexamer prism, and we used quantum simulations to show that they result from geared and antigeared rotations of a pair of water molecules. Unlike previously reported …