Digital Commons Network^™

Computational Screening Of New Perovskite Materials Using Transfer Learning And Deep Learning, Xiang Li, Yabo Dan, Rongzhi Dong, Zhuo Cao, Chengcheng Niu, Yuqi Song, Shaobo Li, Jianjun Hu

Faculty Publications

As one of the most studied materials, perovskites exhibit a wealth of superior properties that lead to diverse applications. Computational prediction of novel stable perovskite structures has big potential in the discovery of new materials for solar panels, superconductors, thermal electric, and catalytic materials, etc. By addressing one of the key obstacles of machine learning based materials discovery, the lack of sufficient training data, this paper proposes a transfer learning based approach that exploits the high accuracy of the machine learning model trained with physics-informed structural and elemental descriptors. This gradient boosting regressor model (the transfer learning model) allows us …

Exact Isovector Pairing In A Shell-Model Framework: Role Of Proton-Neutron Correlations In Isobaric Analog States, M. E. Miora, K. D. Launey, D. Kekejian, F. Pan, J. P. Draayer

Faculty Publications

We utilize a nuclear shell model Hamiltonian with only two adjustable parameters to generate, for the first time, exact solutions for pairing correlations for light to medium-mass nuclei, including the challenging proton-neutron pairs, while also identifying the primary physics involved. In addition to single-particle energy and Coulomb potential terms, the shell model Hamiltonian consists of an isovector T=1 pairing interaction and an average proton-neutron isoscalar T=0 interaction, where the T=0 term describes the average interaction between nonpaired protons and neutrons. This Hamiltonian is exactly solvable, where, utilizing three to seven single-particle energy levels, we reproduce experimental data for 0+ state …

The Distribution Of Ultra-Diffuse And Ultra-Compact Galaxies In The Frontier Fields, Steven Janssens, Roberto Abraham, Jean Brodie, Duncan Forbes, Aaron Romanowsky

Faculty Publications

Large low-surface-brightness galaxies have recently been found to be abundant in nearby galaxy clusters. In this paper, we investigate these ultra-diffuse galaxies (UDGs) in the six Hubble Frontier Fields galaxy clusters: A2744, MACS J0416.1−2403, MACS J0717.5+3745, MACS J1149.5+2223, AS1063, and A370. These are the most massive (1–3 × 1015 M ⊙) and distant (0.308 < z < 0.545) systems in which this class of galaxy has yet been discovered. We estimate that the clusters host of the order of ~200–1400 UDGs inside the virial radius (R 200), consistent with the UDG abundance–halo-mass relation found in the local universe, and suggest that UDGs may be formed in clusters. Within each cluster, however, we find that UDGs are not evenly distributed. Instead their projected spatial distributions are lopsided, and they are deficient in the regions of highest mass density as traced by gravitational lensing. While the deficiency of UDGs in central regions is not surprising, the lopsidedness is puzzling. The UDGs, and their lopsided spatial distributions, may be associated with known substructures late in their infall into the clusters, meaning that we find evidence both for formation of UDGs in clusters and for UDGs falling into clusters. We also investigate the ultra-compact dwarfs (UCDs) residing in the clusters, and find that the spatial distributions of UDGs and UCDs appear anticorrelated. Around 15% of UDGs exhibit either compact nuclei or nearby point sources. Taken together, these observations provide additional evidence for a picture in which at least some UDGs are destroyed in dense cluster environments and leave behind a residue of UCDs.

Comparison Of Charge Storage Properties Of Prussian Blue Analogues Containing Cobalt And Copper, Amanda Rensmo, Jennifer R. Hampton

Faculty Publications

Prussian blue analogues are of great interest as alternative battery materials because of their long life cycle and potential use of earth-abundant elements. In this work, thin film mixed-metal hexacyanoferrates (HCFs) based on NiCo and NiCu alloys were fabricated in an all electrochemical process. The structure and composition of the samples were characterized, along with the charge storage capacity and kinetics of the charge transfer reaction. For both NiCo-HCF and NiCu-HCF samples, the total charge capacity increased with the substitution of Ni with more Co or Cu, and the increase was larger for Cu samples than for Co samples. On …

Monte Carlo And Experimental Analysis Of A Novel Directional Rotating Scatter Mask Gamma Detection System, Julie V. Logan, Darren E. Holland, Larry W. Burggraf, Justin A. Clinton, Buckley E. O'Day Iii

Faculty Publications

Excerpt: This work demonstrates successful experimental operation of a prototype system to identify source direction which was modeled using a library of signals simulated using GEANT and a novel algorithm....

Modeling And Quantification Of Resilience In Complex Engineering Systems, Riccardo Patriarca, Seyedmohsen Hosseini

Faculty Publications

No abstract provided.

Chorioamnionitis: Case Definition & Guidelines For Data Collection, Analysis, And Presentation Of Immunization Safety Data, Alisa Kachikis, Linda O. Eckert, Christie Walker, Azucena Bardají, Frederick Varricchio, Heather S. Lipkind, Khady Diouf, Wan Ting Huang, Ronald Mataya, Mustapha Bittaye, Clare Cutland, Nansi S. Boghossian, Tamala Mallett Moore, Rebecca Mccall, Jay King, Shuchita Mundle, Flor M. Munoz, Caroline Rouse, Michael Gravett, Lakshmi Katikaneni, Kevin Ault, Nicola P. Klein, Drucilla J. Roberts, Sonali Kochhar, Nancy Chescheir

Faculty Publications

No abstract provided.

Neurodevelopmental Delay: Case Definition & Guidelines For Data Collection, Analysis, And Presentation Of Immunization Safety Data, Adrienne N. Villagomez, Flor M. Muñoz, Robin L. Peterson, Alison M. Colbert, Melissa Gladstone, Beatriz Macdonald, Rebecca Wilson, Lee Fairlie, Gwendolyn J. Gerner, Jackie Patterson, Nansi S. Boghossian, Vera Joanna Burton, Margarita Cortés, Lakshmi D. Katikaneni, Jennifer C.G. Larson, Abigail S. Angulo, Jyoti Joshi, Mirjana Nesin, Michael A. Padula, Sonali Kochhar, Amy K. Connery

Faculty Publications

No abstract provided.

Search For B− → Λp⊽ ⊽ With The Babar Experiment, J. P. Lees, V. Poireau, V. Tisserand, E. Grauges, A. Palano, G. Eigen, D. N. Brown, Yu G. Kolomensky, M. Fritsch, H. Koch, T. Schroeder, R. Cheaib, C. Hearty, T. S. Mattison, J. A. Mckenna, R. Y. So, V. E. Blinov, A. R. Buzykaev, V. P. Druzhinin, Milind Purohit, Et. Al.

Faculty Publications

A search for the rare flavor-changing neutral current process B− → Λp̅ νv̅ using data from the BABAR experiment has been performed. A total of 424 fb⁻¹ of e⁺e⁻ collision data collected at the center-of-mass energy of the ϒ(4S) resonance is used in this study, corresponding to a sample of (471 ± 3) × 10⁶ BB̅ pairs. Signal B− → Λp̅ νv̅ candidates are identified by first fully reconstructing a B⁺ decay in one of many possible exclusive decays to hadronic final states, then examining detector activity that is not associated with …

Pesticide Seed Treatments Containing Neonicotinoids Have Limited Effect On Soil Microbial Community Structure Under Different Tillage Regimes, Jessica E. Mackay, Richard G. Smith, Jessica G. Ernakovich, Lukas T. Bernhardt

Faculty Publications

Pesticide seed treatments (PST) which contain fungicides and insecticides are commonly used in agriculture; however, little is known about their effect on soil microbial communities and soil health. Neonicotinoids – controversial insecticides which are common in PST – have received criticism due to potential non-target effects. While fungal pathogens need to be moderated, PST have the potential to disturb broader fungal communities which could lead to reduced nutrient cycling and poor soil health. Given the broad use of PST, their effect on soil fungi needs to be studied within the context of other agricultural management practices. For example, tillage regimes …

Proactive Energy Optimization In Residential Buildings With Weather And Market Forecasts, Cody Simmons, Joshua Arment, Kody M. Powell, John Hedengren

Faculty Publications

This work explores the development of a home energy management system (HEMS) that uses weather and market forecasts to optimize the usage of home appliances and to manage battery usage and solar power production. A Moving Horizon Estimation (MHE) application is used to find the unknown home model parameters. These parameters are then updated in a Model Predictive Controller (MPC) which optimizes and balances competing comfort and economic objectives. Combining MHE and MPC applications alleviates model complexity commonly seen in HEMS by using a lumped parameter model that is adapted to fit a high-fidelity model. Heating, ventilation, and air conditioning …

Search For Gravitational Waves From Scorpius X-1 In The Second Advanced Ligo Observing Run With An Improved Hidden Markov Model, B. P. Abbott, R. Abbott, T. D. Abbott, S. Abraham, F. Acernese, K. Ackley, C. Adams, R. X. Adhikari, V. B. Adya, C. Affeldt, M. Agathos, K. Agatsuma, N. Aggarwal, O. D. Aguiar, L. Aiello, A. Ain, P. Ajith, G. Allen, A. Allocca, M. A. Aloy, P. A. Altin, A. Amato, A. Ananyeva, S. B. Anderson, W. G. Anderson, S. V. Angelova, S. Antier, S. Appert, K. Arai, M. C. Araya, J. S. Areeda, M. Arène, N. Arnaud

Faculty Publications

We present results from a semicoherent search for continuous gravitational waves from the low-mass x-ray binary Scorpius X-1, using a hidden Markov model (HMM) to track spin wandering. This search improves on previous HMM-based searches of LIGO data by using an improved frequency domain matched filter, the J-statistic, and by analyzing data from Advanced LIGO's second observing run. In the frequency range searched, from 60 to 650 Hz, we find no evidence of gravitational radiation. At 194.6 Hz, the most sensitive search frequency, we report an upper limit on gravitational wave strain (at 95% confidence) of h095%=3.47×10-25 when marginalizing over …

Importance Of Refractory Ligands And Their Photodegradation For Iron Oceanic Inventories And Cycling, Christel Hassler, Damien Cabanes, Sonia Blanco-Ameijeiras, Sylvia G. Sander, Ronald Benner

Faculty Publications

Iron is an essential micronutrient that limits primary production in up to 40% of the surface ocean and influences carbon dioxide uptake and climate change. Dissolved iron is mostly associated with loosely characterised organic molecules, called ligands, which define key aspects of the iron cycle such as its residence time, distribution and bioavailability to plankton. Models based on in situ ligand distributions and the behaviour of purified compounds include long-lived ligands in the deep ocean, bioreactive ligands in the surface ocean and photochemical processes as important components of the iron cycle. Herein, we further characterise biologically refractory ligands in dissolved …

Discrete Structure Of The Brain Rhythms, L. Perotti, J. Devito, D. Bessis, Y. Dabaghian

Faculty Publications

Neuronal activity in the brain generates synchronous oscillations of the Local Field Potential (LFP). The traditional analyses of the LFPs are based on decomposing the signal into simpler components, such as sinusoidal harmonics. However, a common drawback of such methods is that the decomposition primitives are usually presumed from the onset, which may bias our understanding of the signal’s structure. Here, we introduce an alternative approach that allows an impartial, high resolution, hands-off decomposition of the brain waves into a small number of discrete, frequency-modulated oscillatory processes, which we call oscillons. In particular, we demonstrate that mouse hippocampal LFP contain …

The Logic Behind Neural Control Of Breathing Pattern, Alona Ben-Tal, Yunjiao Wang, Maria C.A. Leite

Faculty Publications

The respiratory rhythm generator is spectacular in its ability to support a wide range of activities and adapt to changing environmental conditions, yet its operating mechanisms remain elusive. We show how selective control of inspiration and expiration times can be achieved in a new representation of the neural system (called a Boolean network). The new framework enables us to predict the behavior of neural networks based on properties of neurons, not their values. Hence, it reveals the logic behind the neural mechanisms that control the breathing pattern. Our network mimics many features seen in the respiratory network such as the …

The Promise And Peril Of Using Disability Law As A Tool For School Reform, Claire Raj

Faculty Publications

No abstract provided.

Pay Now, Play Later?: Youth And Adolescent Collision Sports, Vivian E. Hamilton

Faculty Publications

The routine and repeated head impacts experienced by athletes in a range of sports can inflict microscopic brain injuries that accumulate over time, even in the absence of concussion. Indeed, cumulative exposure to head impacts—not number of concussions—is the strongest predictor of sports-related degenerative brain disease in later life. The observable symptoms of disease appear years or decades after initial injury and resemble those of other mental-health conditions such as depression and dementia. The years-long interval between earlier, seemingly minor, head impacts and later brain disease has long obscured the connection between the two.

Risk of injury differs across demographics, …

E700xd Portable Doppler Radar Energy Systems Analysis, Brandon M. Bailey, Torrey J. Wagner, Jada Williams

Faculty Publications

Occurring in industrialized nations, inexpensive and abundantly available power is routinely taken for granted. However, energy resilience and to a lesser extent price are key concerns when considering potential solutions for disaster response, disaster relief, or military operations. The Department of Defense (DoD) currently uses a 5 kW generator to power the E700XD portable Doppler radar system when grid power is unavailable [1]. While the radar has an approximate power consumption of 2.5 kW, there is a potential for higher demand due to weather conditions [2]. This paper examines the cost of operating a currently installed generator, compared to the …

Dynamic Accretion Beneath A Slow-Spreading Ridge Segment: Iodp Hole 1473a And The Atlantis Bank Oceanic Core Complex, Henry J.B. Dick, Christopher J. Macleod, Peter Blum, Natsue Abe, Donna K. Blackman, Julie A. Bowles, M.J. Cheadle, K. Cho, Jakub Ciazela, Jeremy Deans, Virginia P. Edgcomb, C. Ferrando, Lyderic France, B. Ghosh, Benoit Ildefonse, Barbara John, Mark A. Kendrick, J. Koepke, James A.M. Leong, C. Liu, Q. Ma, T. Morishita, A. Morris, J.H. Natland, T. Nozaka, O. Pluemper, A. Sanflippo, J.B. Sylvan, Maurice A. Tivey, R. Tribuzio, G. Viegas

Faculty Publications

809 deep IODP Hole U1473A at Atlantis Bank, SWIR, is 2.2 km from 1,508‐m Hole 735B and 1.4 from 158‐m Hole 1105A. With mapping, it provides the first 3‐D view of the upper levels of a 660‐km² lower crustal batholith. It is laterally and vertically zoned, representing a complex interplay of cyclic intrusion, and ongoing deformation, with kilometer‐scale upward and lateral migration of interstial melt. Transform wall dives over the gabbro‐peridotite contact found only evolved gabbro intruded directly into the mantle near the transform. There was no high‐level melt lens, rather the gabbros crystallized at depth, and then emplaced …

Calculations With Graded Perverse-Coherent Sheaves, Pramod N. Achar, William D. Hardesty

Faculty Publications

In this paper, we carry out several computations involving graded (or Gm-equivariant) perversecoherent sheaves on the nilpotent cone of a reductive group in good characteristic. In the first part of the paper, we compute the weight of the Gm-action on certain normalized (or 'canonical') simple objects, confirming an old prediction of Ostrik. In the second part of the paper, we explicitly describe all simple perverse-coherent sheaves for G = PGL3, in every characteristic other than 2 or 3. Applications include an explicit description of the cohomology of tilting modules for the corresponding quantum group, as well as a proof that …

Virtual Enriching Operators, Susanne C. Brenner, Li Yeng Sung

Faculty Publications

We construct bounded linear operators that map H conforming Lagrange finite element spaces to H conforming virtual element spaces in two and three dimensions. These operators are useful for the analysis of nonstandard finite element methods. 1 2

Stabilization And Robustness Analysis For A Chain Of Saturating Integrators Arising In The Visual Landing Of Aircraft, Laurent Burlion, Michael Malisoff, Frederic Mazenc

Faculty Publications

We study a chain of saturating integrators with imprecise output measurements, which arises in the study of visual landing of aircraft. Our input-to-state stability result uses a new dynamic extension. We illustrate our result in an aerospace application with realistic model parameters.

Results From A 14-Year Intervention Program Designed To Impact Pursuit Of A Phd In Research Among Underrepresented Students In Stem Disciplines, Gretchen Schneider Burton, Eugene Kennedy, Maria Da Graça H. Vicente

Faculty Publications

Minority research and training (MRT) programs have been used across U.S. colleges and universities as a method to close the educational achievement gap and generate a highly skilled and diverse workforce. Previous studies have improved our understanding of the need to diversify the science, technology, engineering and mathematics (STEM) disciplines and the various interventions that have been developed to support these efforts. However, there is still little evidence about what strategies are most effective in promoting interest, continuation, and matriculation into STEM graduate programs among underrepresented groups. The study herein utilized a case study design with a mixed methods approach …

Deep Donors And Acceptors In Β-Ga2O3 Crystals: Determination Of The Fe2+/3+ Level By A Noncontact Method, Christopher A. Lenyk, Timothy D. Gustafson, Larry E. Halliburton, Nancy C. Giles

Faculty Publications

Electron paramagnetic resonance (EPR), infrared absorption, and thermoluminescence (TL) are used to determine the Fe^2+/3+ level in Fe-doped β-Ga₂O₃ crystals. With these noncontact spectroscopy methods, a value of 0.84 ± 0.05 eV below the conduction band is obtained for this level. Our results clearly establish that the E2 level observed in deep level transient spectroscopy (DLTS) experiments is due to the thermal release of electrons from Fe²⁺ ions. The crystals used in this investigation were grown by the Czochralski method and contained large concentrations of Fe acceptors and Ir donors, and trace amounts of Cr …

An Agent Based Model Of Passenger Boarding For Examining Commercial Aircraft Boarding Strategies, Frank W. Ciarallo, Raymond R. Hill, Kerry K. Ward

Faculty Publications

We use an agent-based simulation methodology to study airline passenger boarding using measures that reflect both the customer experience and airline efficiency perspective. This approach supports exploration of models of actual aircraft used in practice and detailed modeling of passenger dynamics. This paper discusses the modeling approach and a set of experiments comparing several boarding strategies from practical settings as well as the literature.

Analytic Non-Adiabatic Derivative Coupling Terms For Spin-Orbit Mrci Wavefunctions. Ii. Derivative Coupling Terms And Coupling Angle For Khe (A2Π1/2) ⇔ Khe B2Σ1/2), Lachlan T. Belcher, Charlton D. Lewis, Gary S. Kedziora, David E. Weeks

Faculty Publications

A method for calculating the analytic nonadiabatic derivative coupling terms (DCTs) for spin-orbit multi-reference configuration interaction wavefunctions is reviewed. The results of a sample calculation using a Stuttgart basis for KHe are presented. Additionally, the DCTs are compared with a simple calculation based on the Nikitin’s 3 × 3 description of the coupling between the Σ and Π surfaces, as well as a method based on Werner’s analysis of configuration interaction coefficients. The nonadiabatic coupling angle calculated by integrating the radial analytic DCTs using these different techniques matches extremely well. The resultant nonadiabatic energy surfaces for KHe are presented.

Alu Insertion Polymorphisms Shared By Papio Baboons And Theropithecus Gelada Reveal An Intertwined Common Ancestry, Jerilyn A. Walker, Vallmer E. Jordan, Jessica M. Storer, Cody J. Steely, Paulina Gonzalez-Quiroga, Thomas O. Beckstrom, Lydia C. Rewerts, Corey P. St. Romain, Catherine E. Rockwell, Jeffrey Rogers, Clifford J. Jolly, Miriam K. Konkel, Mark A. Batzer, R. Alan Harris, Muthuswamy Raveendran, Yue Liu, Shwetha Murali, Tauras P. Vilgalys, Gregg W.C. Thomas, Kymberleigh A. Pagel, Vikas Pejaver, Claudia R. Catacchio, Nicoletta Archidiacono, Mario Ventura, Alessia Marra-Campanale, Antonio Palazzo, Oronzo Capozzi, Archana Raja, John Huddleston, Veronica Searles Quick, Anis Karimpour-Fard, Dominik Schrempf, Marc De Manuel Montero, Konstantinos Billis

Faculty Publications

© 2019 The Author(s). Background: Baboons (genus Papio) and geladas (Theropithecus gelada) are now generally recognized as close phylogenetic relatives, though morphologically quite distinct and generally classified in separate genera. Primate specific Alu retrotransposons are well-established genomic markers for the study of phylogenetic and population genetic relationships. We previously reported a computational reconstruction of Papio phylogeny using large-scale whole genome sequence (WGS) analysis of Alu insertion polymorphisms. Recently, high coverage WGS was generated for Theropithecus gelada. The objective of this study was to apply the high-Throughput "poly-Detect" method to computationally determine the number of Alu insertion polymorphisms shared by T. …

Tidal Destruction In A Low-Mass Galaxy Environment: The Discovery Of Tidal Tails Around Ddo 44, Jeffrey Carlin, Christopher Garling, Annika Peter, Denija Crnojević, Duncan Forbes, Jonathan Hargis, Burçin Mutlu-Pakdil, Ragadeepika Pucha, Aaron Romanowsky, David Sand, Kristine Spekkens, Jay Strader, Beth Willman

Faculty Publications

We report the discovery of a 1° (~50 kpc) long stellar tidal stream emanating from the dwarf galaxy DDO 44, a likely satellite of Local Volume galaxy NGC 2403 located ~70 kpc in projection from its companion. NGC 2403 is a roughly Large Magellanic Cloud (LMC) stellar-mass galaxy 3 Mpc away, residing at the outer limits of the M81 group. We are mapping a large region around NGC 2403 as part of our Magellanic Analogs' Dwarf Companions and Stellar Halos survey, reaching point-source depths (90% completeness) of (g, i) = (26.5, 26.2). Density maps of old, metal-poor RGB stars reveal …

Effect Of Ar(3p54p; 2p)+M -> Ar(3p54s; 1s)+M Branching Ratio On Optically Pumped Rare Gas Laser Performance, Daniel J. Emmons Ii, David E. Weeks

Faculty Publications

Optically pumped rare gas laser performance is analyzed as a function of the Ar(3p⁵4p; 2p) + M → Ar(3p⁵4s; 1s) + M branching ratios. Due to the uncertainty in the branching ratios, a sensitivity study is performed to determine the effect on output and absorbed pump laser intensities. The analysis is performed using a radio frequency dielectric barrier discharge as the source of metastable production for a variety of Argon in Helium mixtures over pressures ranging from 200 to 500 Torr. Peak output laser intensities show a factor of 7 increase as the branching ratio is …

Gamma-Ray Radiation Effects In Graphene-Based Transistors With H-Bn Nanometer Film Substrates, E. J. Cazalas, Michael R. Hogsed, S. R. Vangala, Michael R. Snure, John W. Mcclory

Faculty Publications

Radiation effects on graphene field effect transistors (GFETs) with hexagonal boron nitride (h-BN) thin film substrates are investigated using 60Co gamma-ray radiation. This study examines the radiation response using many samples with varying h-BN film thicknesses (1.6 and 20 nm thickness) and graphene channel lengths (5 and 10 μm). These samples were exposed to a total ionizing dose of approximately 1 Mrad(Si). I-V measurements were taken at fixed time intervals between irradiations and postirradiation. Dirac point voltage and current are extracted from the I-V measurements, as well as mobility, Dirac voltage hysteresis, and the total number of GFETs that remain …