Digital Commons Network^™

Implications Of Magnetic Evolution On Coronal Loop Thermal Variation Prior To Solar Flares, Kara L. Kniezewski

Theses and Dissertations

Solar flares are intense bursts of electromagnetic radiation, which occur due to a rapid destabilization and reconnection of the magnetic field. While flares are a magnetic phenomena, very little attention has been paid to thermal conditions in the corona prior to flare onset. This study serves as a follow-on to Kniezewski et al., 2024, where the EUV emission from coronal loops was observed to vary substantially and without any coherence between channels before 53 off-limb flares. These variations suggest multiple mechanisms within the coronal magnetic field are responsible for heating fluctuations. Here, the 3D magnetic field is modeled using a …

Investigation Of Neutron Inelastic Scatter Cross Sections On 16O, Molly A. Wakeling

Theses and Dissertations

Nuclear data underpin a number of applications across nuclear reactor design, medicine, astrophysics, nonproliferation, national security, and other related fields. However, data are conflicting or missing across the spectrum of isotopes and reactions, and theoretical calculations can only go so far to predict nuclear properties. A key reaction with incomplete data is neutron inelastic scatter on ¹⁶O, which reduces neutron energies and produces high-energy gamma rays that are often not taken into account in simulations of nuclear reactors, nuclear weapon detonations, nuclear fusion, and other areas. To fill these gaps, the Gamma-Energy Neutron-Energy Spectrometer for Inelastic Scattering, or GENESIS, …

The Adoption Of The Braided River Model Toward An Inclusive Stem Workforce For All, Aixa Alemán-Díaz, Sakib Hussen, Abdul Siam, Candice M. Etson, Robin Mc C. Greenler, Taylor Lightner, Semarhy Quiñones-Soto, Simone B. Soso, Verónica A. Segarra

Physics: Faculty Publications

Despite decades of interventions aiming to transform the science, technology, engineering, and mathematics (STEM) workforce to be more inclusive and diverse, little progress has been made in creating long-lasting, sustainable change. For a long period of time, the STEM workforce has been described as a leaky pipeline. While there has been some utility to thinking about the STEM workforce in this way, in this article, we discuss how characterizing the STEM workforce as a leaky pipeline can impede the design of innovative interventions that contribute to sustainable change toward a more inclusive scientific enterprise. As an alternative, we join others …

Quantum Control And Simulation Using Hamiltonian Engineering In Solid-State Nmr, Linta Joseph

Dartmouth College Ph.D Dissertations

Lattices of dipolar coupled nuclear spins in natural crystals are large, interacting quantum systems -- ideal platforms to simulate non-equilibrium many-body dynamics. Using the magnetic resonance toolkit, which includes Dynamic Nuclear Polarization (DNP), Hamiltonian engineering, and multiple-quantum Nuclear Magnetic Resonance (NMR) experiments, we study aspects of coherent control, manipulation, and readout of the complex dynamics of the spin system in NMR quantum simulation.

First, applying Hamiltonian engineering sequences, we control the system evolution. Specifically, we use a combination of numerical simulations and NMR experiments on adamantane to evaluate and compare the performance of several known sequences that aim to suppress …

Ground-Based Reconnaissance Observations Of 21 Exoplanet Atmospheres With The Exoplanet Transmission Spectroscopy Imager, Ryan J. Oelkers, Luke M. Schmidt, Erika Cook, Mary Anne Limbach, Darren L. Depoy, J. L. Marshall, Jimmy Ardoin, Mitchell Barry, Evan Batteas, Alexandra Boone

Physics & Astronomy Faculty Publications

One of the most prolific methods of studying exoplanet atmospheres is transmission spectroscopy, which measures the difference between the depth of an exoplanet's transit signal at various wavelengths and attempts to correlate the depth changes to potential features in the exoplanet's atmosphere. Here we present reconnaissance observations of 21 exoplanet atmospheres measured with the Exoplanet Transmission Spectroscopy Imager (ETSI), a recently deployed spectrophotometer on the McDonald Observatory Otto Struve 2.1 m telescope. ETSI measurements are mostly free of systematics through the use of a novel observing technique called common-path multiband imaging (CMI), which has been shown to achieve photometric color …

The Effect Of Vera C. Rubin Observatory Cadence Selections On Kilonova Detectability, Cristina Andrade, Raiyah Alserkal, Luis Salazar Manzano, Emma Martin, Igor Andreoni, Michael W. Coughlin, Nidhal Guessoum, Liliana Rivera Sandoval

Physics & Astronomy Faculty Publications

The discovery of the optical/infra-red counterpart (AT2017gfo) to the binary neutron star gravitational-wave detection (GW170817), which was followed by a short gamma-ray burst (GRB 170817), marked a groundbreaking moment in multi-messenger astronomy. To date, it remains the only confirmed joint detection of its kind. However, many experiments are actively searching for similar fast-fading electromagnetic counterparts, known as kilonovae. Fortunately, the Vera C. Rubin Observatory's Legacy Survey of Space and Time (LSST) provides excellent prospects for identifying kilonova candidates either from, or independent of, gravitational-wave and GRB triggers. Cadence choices for LSST surveys are especially important for maximising the likelihood of …

The Nanograv 15 Yr Dataset: Posterior Predictive Checks For Gravitational-Wave Detection With Pulsar Timing Arrays, Gabriella Agazie, Akash Anumarlapudi, Anne M. Archibald, Zaven Arzoumanian, Jeremy G. Baier, Paul T. Baker, Bence Becsy, Joey S. Key, Jing Luo, Joseph D. Romano

Physics & Astronomy Faculty Publications

Pulsar timing array experiments have reported evidence for a stochastic background of nanohertz gravitational waves consistent with the signal expected from a population of supermassive black hole binaries. Their analyses assume power-law spectra for intrinsic pulsar noise and for the background, as well as a Hellings-Downs cross-correlation pattern among the gravitational-wave-induced residuals across pulsars. These assumptions may not be realized in actuality. We test them in the NANOGrav 15 yr dataset using Bayesian posterior predictive checks. After fitting our fiducial model to real data, we generate a population of simulated dataset replications. We use the replications to assess whether the …

Still More On Wahlquist Metric, Mahmut Hortaçsu

Turkish Journal of Physics

We start by reviewing the status of the Wahlquist metric and give references to the relevant literature. Then, in studying the scattering properties of a scalar particle at the center coming from infinity, we give three methods to obtain finite scattering coefficients.

Stabilization Of Argan Oil Nanoemulsions Using Chitosan Extracted From Pink Shrimp Shells, Yousra Mdarhri, Ikram Bouziane, Ilyace Korodowou, Narjisse Mokhtari, Lama Rissouli, Fakhita Touhami, Mohamed Chabbi, Ahmed Touhami

Physics & Astronomy Faculty Publications

This study investigates the use of chitosan, extracted from pink shrimp shells, as a stabilizer for argan oil nanoemulsions. Chitosan was obtained through demineralization, deproteination, bleaching, deacetylation, and purification, then characterized through potentiometric titration, viscometry, X-ray diffraction (XRD), scanning electron microscopy (SEM), and purity assessments. The resulting chitosan was used to stabilize nanoemulsions formulated with extra-virgin argan oil and a nonionic surfactant using the phase inversion composition (PIC) method. The stability of the nanoemulsion was assessed through light scattering, zeta potential, viscosity, and pH measurements. The extracted chitosan exhibited high purity, a deacetylation degree of 88.34%, a molecular weight of …

Vertical Structure Of Subsurface Marine Heatwaves In A Shallow Nearshore Upwelling System, Gavin Plume, Ryan K. Walter, Isabelle Cobb, Michael Dalsin, Piero L. F. Mazzini, Nathan P. Shunk, Ian C. Robbins, Thomas P. Connolly

Physics

Marine heatwaves (MHWs) are increasing in frequency and intensity globally and are among the greatest threats to marine ecosystems. However, limited studies have characterized subsurface MHWs, particularly in shallow waters. We utilized nearly two decades of full water-column (~ 10 m) observations from a unique automated profiler in central California to characterize, for the first time, the vertical structure of MHWs in a shallow nearshore upwelling system. We found MHWs have similar average durations and intensities across all depths, but there were ~ 17% more bottom MHW days than surface MHW days. Nearly one third of bottom MHWs occurred independently …

Infrared Sensors Provide A Reliable And Economic Alternative For Emissivity Testing, Owen Brent Graham

Research on Capitol Hill

Emissivity is a material property that describes how well a material absorbs and emits electromagnetic radiation.

Coupled Lake-Atmosphere-Land Physics Uncertainties In A Great Lakes Regional Climate Model, William J. Pringle, Chenfu Huang, Pengfei Xue, Jiali Wang, Khachik Sargsyan, Miraj Kayastha, Et. Al.

Michigan Tech Publications

This study develops a surrogate-based method to assess the uncertainty within a convective permitting integrated modeling system of the Great Lakes region, arising from interacting physics parameterizations across the lake, atmosphere, and land surface. Perturbed physics ensembles of the model during the 2018 summer are used to train a neural network surrogate model to predict lake surface temperature (LST) and near-surface air temperature (T2m). Average physics uncertainties are determined to be 1.5°C for LST and T2m over land, and 1.9°C for T2m over lake, but these have significant spatiotemporal variations. We find that atmospheric physics parameterizations alone are the dominant …

Swift-Bat Guano Follow-Up Of Gravitational-Wave Triggers In The Third Ligo–Virgo–Kagra Observing Run, Gayathri Raman, Samuele Ronchini, James Delaunay, Aaron Tohuvavohu, Teviet Creighton, Mario C. Diaz, Francisco Llamas, Soma Mukherjee, Gaukhar Nurbek, Volker Quetschke, Wenhui Wang

Physics & Astronomy Faculty Publications

We present results from a search for X-ray/gamma-ray counterparts of gravitational-wave (GW) candidates from the third observing run (O3) of the LIGO–Virgo–KAGRA network using the Swift Burst Alert Telescope (Swift-BAT). The search includes 636 GW candidates received with low latency, 86 of which have been confirmed by the offline analysis and included in the third cumulative Gravitational-Wave Transient Catalogs (GWTC-3). Targeted searches were carried out on the entire GW sample using the maximum-likelihood Non-imaging Transient Reconstruction and Temporal Search pipeline on the BAT data made available via the GUANO infrastructure. We do not detect any significant electromagnetic emission that is …

Integrating Quantum Computing In High-Frequency Trading: A Project Management Approach, Dhwani Patel, Dhwani Patel

Harrisburg University Dissertations and Theses

This thesis explores the integration of quantum computing in high-frequency trading (HFT) from a project management perspective. As quantum computing emerges as a transformative technology, its potential to revolutionize financial markets, particularly HFT, necessitates structured approaches to manage the associated complexities and risks. Agile methodologies are examined as a solution to bridge the gap between the rapid development cycles of quantum software and the high-speed requirements of trading algorithms. The study employs a qualitative research approach, incorporating expert interviews and literature analysis to identify the challenges and opportunities of implementing quantum computing in HFT. The research reveals that while quantum …

The Metaphysics Of Time Within Physics, Mohamed Ahmed

Theses and Dissertations

The starting point of this thesis is to shed some light on the metaphysical nature of time by reflecting on the physics of time. The aim of this approach is not to [dis]prove or defend a metaphysical position but rather to elucidate the metaphysical position that underlies [or is compatible with] our best scientific theories. This task will be demanding, not only because our best theories may carry different interpretations of their underlying temporal structure but also because there seems to be a conceptual conflict/incompatibility between the notion of time in relativity and quantum mechanics, which are the two major …

Fragmentation Functions For Light And Heavy Quarks In Simulated Proton-Proton Collisions, Nermin Kamal Sadoun

Theses and Dissertations

In the first microsecond after the Big Bang, the early universe is believed to have been in an excited state known as the Quark-Gluon Plasma (QGP) state, a state of free quarks and gluons. Conducted experiements, like Heavy-ion collisions at the Relativistic Heavy Ion Collider (RHIC) and the Large Hadron Collider (LHC), have showed some evidences of the formation of this extreme states in the collisions. Jet quenching and elliptic flow are two phenomena that provide significant evidence for the creation of QGP and its distinctive characteristics. Although the major framework for studying QGP is still heavy-ion collisions, new research …

Absence Of Tev Halos Around Millisecond Pulsars, A. U. Abeysekara, R. Alfaro, C. Alvarez, J. C. Arteaga-Velázquez, D. Avila Rojas, H. A. Ayala Solares, R. Babu, E. Belmont-Moreno, A. Bernal, K. S. Caballero-Mora, T. Capistrán, A. Carramiñana, S. Casanova, U. Cotti, J. Cotzomi, S. Coutiño De León, E. De La Fuente, D. Depaoli, P. Desiati, N. Di Lalla, R. Diaz Hernandez, M. A. Duvernois, J. C. Diaz-Velez, K. Engel, T. Ergin, K. L. Fan, K. Fang, N. Fraija, S. Fraija, J. A. Garcia-Gonzalez, F. Garfias, M. M. Gonzalez, J. A. Goodman, J. P. Harding, S. Hernandez-Cadena, D. Huang, F. Hueyotl-Zahuantitla, A. Iriarte, S. Kaufmann, D. Kieda, A. Lara, J. Lee, H. Leon Vargas, J. T. Linnemann, A. L. Longinotti, G. Luis-Raya, K. Malone, O. Martinez, J. Martinez-Castro, J. A. Matthews, P. Miranda-Romagnoli, J. A. Morales-Soto, E. Moreno, M. Mostafa, M. Najafi, L. Nellen, M. Newbold, M. U. Nisa, R. Noriega-Papaqui, N. Omodei, Y. Perez Araujo, E. G. Perez-Perez, C. D. Rho, D. Rosa-Gonzalez, E. Ruiz-Velasco, M. A. Roth, H. Salazar, A. Sandoval, J. Serna-Franco, Y. Son, R. W. Springer, O. Tibolla, K. Tollefson, I. Torres, R. Torres-Escobedo, R. Turner, F. Urena-Mena, E. Varela, L. Villasenor, Xiaojie Wang, Z. Wang, I. J. Watson, H. Wu, S. Yu

Physics Faculty Research & Creative Works

TeV halos are extended very-high-energy (VHE; 0.1-100 TeV) gamma-ray emission around middle-aged pulsars. So far, they have only been found around isolated pulsars, but it has been suggested that they may also be powered by millisecond pulsars (MSPs). We searched for VHE gamma-ray emission from MSPs reported by radio and GeV gamma-ray observatories in 2565 days of data from the High-Altitude Water Cherenkov (HAWC) Observatory. We found no significant emission from individual pulsars. By combining the likelihood profiles of all MSPs accessible to HAWC, our analysis suggests that the excess emission around the MSP population is consistent with a background. …

Super-Resolution Imaging Reveals Resistance To Mass Transfer In Functionalized Stationary Phases, Ricardo Monge Neria, Muhammad Zeeshan, Aman Kapoor, Tae Kyong John Kim, Nichole Hoven, Jeffrey S. Pigott, Burcu Gurkan, Christine E. Duval, Lydia Kisley

Faculty Scholarship

Chemical separations are costly in terms of energy, time, and money. Separation methods are optimized with inefficient trial-and-error approaches that lack insight into the molecular dynamics that lead to the success or failure of a separation and, hence, ways to improve the process. We perform super-resolution imaging of fluorescent analytes in five different commercial liquid chromatography materials. Unexpectedly, we observe that chemical functionalization can block more than 50% of the material’s porous interior, rendering it inaccessible to small-molecule analytes. Only in situ imaging unveils the inaccessibility when compared to the industry-accepted ex situ characterization methods. Selectively removing some of the …

Evaluating The New Nd: Yag Laser Method In Phytosynthesizing Silver Nanoparticles And Assessing Their Medical Applications., Arshad Mahdi Hamad, Qanat Mahmood Atiya

Karbala International Journal of Modern Science

Silver nanoparticles (AgNPs) were synthesized via an innovative green synthesis method using amygdalin (Am) as a reducing agent and the Nd: YAG laser as a catalyst. We studied the properties of the nanoparticles using X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), energy dispersive X-ray spectroscopy (EDX), atomic force microscopy (AFM), ultraviolet-visible spectroscopy (UV), and Fourier transform infrared spectroscopy (FTIR) techniques. All the results of the examination demonstrate excellent structural and optical properties. In addition, the molecular docking of the complex composed of amygdalin and AgNPs was tested on three proteins concerned with the virulence of Pseudomonas aeruginosa and …

Influence Of Oil Density On Self-Propelled Motion Of Belousov-Zhabotinsky Reaction Droplet, Vivek Bharat Meshram, Anupama Sebastian, Puthiyapurayil Sibeesh, T K Shajahan

Northeast Journal of Complex Systems (NEJCS)

Belousov-Zhabotinsky reaction serves as an example of the nonlinear chemical oscillator in which the reacting substance undergoes sequential oxidation and reduction. A droplet containing the BZ reaction, when placed within the oily environment, can self-propel. In this experimental work, we explore the effect of oil medium density on the BZ reaction droplet dynamics. In an oil medium with lower density, the BZ droplet exhibits higher speed and effective diffusivity but a shorter lifetime. Both the distance and speed of the droplet initially increase with droplet volume. However, beyond a critical volume, the distance decreases while the speed stays constant. Interestingly, …

Hierarchical Search Method For Gravitational Waves From Stellar-Mass Binary Black Holes In Noisy Space-Based Detector Data, Yao Fu, Yan Wang, Soumya D. Mohanty

Physics & Astronomy Faculty Publications

Future space-based laser interferometric detectors, such as the Laser Interferometer Space Antenna (LISA), will be able to detect gravitational waves (GWs) generated during the inspiral phase of stellar-mass binary black holes (SmBBHs). These detections contain a wealth of important information concerning astrophysical formation channels and fundamental physics constraints. However, the detection and characterization of GWs from SmBBHs poses a formidable data analysis challenge, arising from the large number of wave cycles that make the search extremely sensitive to mismatches in signal and template parameters in a likelihood-based approach. This makes the search for the maximum of the likelihood function over …

Characterization Of 1,8-Cineole (Eucalyptol) From Myrtle And Its Potential Antibacterial And Antioxidant Activities*, Humera Khan

Karbala International Journal of Modern Science

1,8-Cineole is a naturally occurring chemical molecule predominantly found in fragrant plants, particularly Myrtle. Its aroma is distinctive and has been the subject of numerous investigations due to its various biological actions. This study examines the characterization of 1,8-Cineole derived from Myrtle and investigates its antibacterial and antioxidant properties. This study seeks to compare 1,8-Cineole with antibiotics like Amoxicillin and Tetracycline, and moreover, to investigate its antioxidant capabilities against diverse bacterial strains (both Gram-positive and Gram-negative). 1,8-Cineole exhibits the most effective antibacterial properties, demonstrating an inhibition zone of 12.00 mm against Staphylococcus aureus and 10.00 mm against Pseudomonas aeruginosa. …

Study Of Long-Term Spectral Evolution And X-Ray And Γ-Ray Correlation Of Blazars Seen By Hawc, R. Alfaro, C. Alvarez, A. Andrés, J. C. Arteaga-Velázquez, D. Avila Rojas, H. A.Ayala Solares, R. Babu, E. Belmont-Moreno, A. Bernal, K. S. Caballero-Mora, T. Capistrán, A. Carramiñana, F. Carreón, S. Casanova, U. Cotti, J. Cotzomi, S. Coutiño De León, E. De La Fuente, D. Depaoli, N. Di Lalla, R. Diaz Hernandez, B. L. Dingus, M. A. Duvernois, M. Durocher, J. C. Diaz-Velez, K. Engel, C. Espinoza, K. L. Fan, N. Fraija, S. Fraija, J. A. Garcia-Gonzalez, F. Garfias, A. Gonzalez Munoz, M. M. Gonzalez, J. A. Goodman, S. Groetsch, J. P. Harding, S. Hernandez-Cadena, I. Herzog, D. Huang, F. Hueyotl-Zahuantitla, A. Iriarte, V. Joshi, S. Kaufman, D. Kieda, A. Lara, W. H. Lee, J. Lee, H. Leon Vargas, J. T. Linnemann, A. L. Longinotti, G. Luis-Raya, K. Malone, O. Martinez, I. Martinez-Castellanos, J. Martinez-Castro, J. A. Matthews, P. Miranda-Romagnoli, J. A. Montes, E. Moreno, M. Mostafa, A. Nayerhoda, L. Nellen, M. U. Nisa, R. Noriega-Papaqui, N. Omodei, M. Osorio, Y. Perez Araujo, E. G. Perez-Perez, C. D. Rho, D. Rosa-Gonzalez, E. Ruiz-Velasco, H. Salazar, D. Salazar-Gallegos, A. Sandoval, M. Schneider, M. Serna-Franco, A. J. Smith, Y. Son, R. W. Springer, O. Tibolla, K. Tollefson, I. Torres, R. Torres-Escobedo, R. Turner, F. Urena-Mena, E. Varela, L. Villasenor, Xiaojie Wang, I. J. Watson, K. Whitaker, E. Willox, S. Yun-Carcamo, H. Zhou

Physics Faculty Research & Creative Works

The HAWC Observatory collected 6 yr of extensive data, providing an ideal platform for long-term monitoring of blazars in the very high energy (VHE) band, without bias toward specific flux states. HAWC continuously monitors blazar activity at TeV energies, focusing on sources with a redshift of z ≤ 0.3, based on the Third Fermi-LAT Catalog of High-Energy sources. We specifically focused our analysis on Mrk 421 and Mrk 501, as they are the brightest blazars observed by the HAWC Observatory. With a data set of 2143 days, this work significantly extends the monitoring previously published, which was based on 511 …

Convergent Close-Coupling Approach To Electron Impact Dissociation Of The Polyatomic Molecule H 3 + And Its Isotopologues, Reese K. Horton, Michael V. Pak, Igor Bray, Dmitry V. Fursa

Faculty Publications

Cross sections for electron impact dissociative excitation and ionization in scattering on vibrationally excited levels of the ground electronic state of H₃⁺ and its isotopologues are reported in the energy range of 8 to 1000 eV. Calculations have been performed using a newly developed version of the molecular convergent close-coupling code. Cross sections for total dissociative excitation, ionization yielding atomic fragments such as D⁺, and the total inelastic cross section are presented. Good agreement with available experiments has been demonstrated.

Convergent Close-Coupling Approach To Electron Scattering On H3+ : Scattering Dynamics And Dissociative Processes, Reese K. Horton, Michael V. Pak, Igor Bray, Dmitry V. Fursa

Faculty Publications

Cross sections for electron impact dissociative excitation and ionization in scattering on vibrationally excited levels of the ground electronic state of H₃⁺, D₃⁺, and T₃⁺ are reported in the energy range of 8–1000 eV. Calculations have been performed using a newly developed version of the molecular convergent close-coupling code. Convergence of the cross sections with the size of the projectile partial-wave and close-coupling expansions is examined. Branching ratios and cross sections for the yields of D₂⁺ and D⁺ from dissociative excitation of D₃⁺ are presented and isotope …

The Lyman Continuum Escape Fraction Of Star-Forming Galaxies At 2.4 ≲ Z ≲ 3.0 From Uvcandels, Xin Wang, Harry I. Teplitz, Brent M. Smith, Rogier A. Windhorst, Marc Rafelski, Vihang Mehta, Anahita Alavi, Zhiyuan Ji, Gabriel Brammer, James Colbert, Norman Grogin, Nimish P. Hathi, Anton M. Koekemoer, Laura Prichard, Claudia Scarlata, Ben Sunnquist, Pablo Arrabal Haro, Christopher Conselice, Eric Gawiser, Yicheng Guo, Matthew Hayes

Pacific Faculty Work

The UltraViolet Imaging of the Cosmic Assembly Near-infrared Deep Extragalactic Legacy Survey Fields (UVCANDELS) survey is a Hubble Space Telescope (HST) Cycle-26 Treasury Program, allocated in total 164 orbits of primary Wide-Field Camera 3 Ultraviolet and VISible light F275W imaging with coordinated parallel Advanced Camera for Surveys F435W imaging, on four of the five premier extragalactic survey fields: GOODS-N, GOODS-S, EGS, and COSMOS. We introduce this survey by presenting a comprehensive analysis of the absolute escape fraction ( f esc abs ) of Lyman continuum radiation through stacking the UV images of a population of star-forming galaxies with secure redshifts …

Infrared Cooling In An Anharmonic Cascade Framework: 2-Cyanoindene, The Smallest Cyano-Pah Identified In Tmc-1, Mark H. Stockett, Vincent J. Esposito, Eleanor K. Ashworth, Ugo Jacovella, James N. Bull

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Infrared (IR) cooling of polycyclic aromatic hydrocarbon (PAH) molecules is a major radiative stabilization mechanism of PAHs present in space and is the origin of the aromatic infrared bands (AIBs). Here, we report an anharmonic cascade model in a master equation framework to model IR emission rates and emission spectra of energized PAHs as a function of internal energy. The underlying (simple harmonic cascade) framework for fundamental vibrations has been developed through the modeling of cooling rates of PAH cations and other carboneaous ions measured in electrostatic ion storage ring experiments performed under “molecular cloud in a box” conditions. The …

Active Learning-Based Automated Construction Of Hamiltonian For Structural Phase Transitions: A Case Study On Batio3, Mian Dai, Yixuan Zhang, Nuno Fortunato, Peng Chen, Hongbin Zhang

Physics Faculty Publications and Presentations

The effective Hamiltonians have been widely applied to simulate the phase transitions inpolarizable materials, with coefficients obtained by fitting to accurate first-principlescalculations. However, it is tedious to generate distorted structures with symmetry constraints,in particular when high-ordered terms are considered. In this work, we implement and apply aBayesian optimization-based approach to sample potential energy surfaces, automating theeffective Hamiltonian construction by selecting distorted structures via active learning. Taking BaTiO3(BTO) as an example, we demonstrate that the effective Hamiltonian can be obtainedusing fewer than 30 distorted structures. Follow-up Monte Carlo simulations can reproduce thestructural phase transition temperatures of BTO, comparable to experimental values …

Magnetus: A Magnetized Plasma Research Ecosystem, N. C. Hurst, M. Abler, Michael R. Brown, J. Juno, E. G. Kostadinova, N. A. Murphy, J. Olson, D. M. Orlov, D. B. Schaeffer, D. A. Schaffner, E. E. Scime, T. M. Tenbarge, S. C. Thakur

Physics & Astronomy Faculty Works

MagNetUS is a network of scientists and research groups that coordinates and advocates for fundamental magnetized plasma research in the USA. Its primary goal is to bring together a broad community of researchers and the experimental and numerical tools they use in order to facilitate the sharing of ideas, resources and common tasks. Discussed here are the motivation and goals for this network and details of its formation, history and structure. An overview of associated experimental facilities and numerical projects is provided, along with examples of scientific topics investigated therein. Finally, a vision for the future of the organization is …

Helicity Modulus And Chiral Symmetry Breaking For Boundary Conditions With Finite Twist, Gaurav Khairnar, Thomas Vojta

Physics Faculty Research & Creative Works

We study the response of a two-dimensional classical XY model to a finite (noninfinitesimal) twist of the boundary conditions. We use Monte Carlo simulations to evaluate the free energy difference between periodic and twisted-periodic boundary conditions and find deviations from the expected quadratic dependence on the twist angle. Consequently, the helicity modulus (spin stiffness) shows a nontrivial dependence on the twist angle. We show that the deviation from the expected behavior arises because of the mixing of states with opposite chirality which leads to an additional entropy contribution in the quasi-long-range ordered phase. We give an improved prescription for the …