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Full-Text Articles in Physical Sciences and Mathematics

Implementation Of Python Based High Voltage Tests For Gem Detectors, John Paul Hernandez Apr 2024

Implementation Of Python Based High Voltage Tests For Gem Detectors, John Paul Hernandez

Aerospace, Physics, and Space Science Student Publications

The Compact Muon Solenoid, CMS, and other detectors at LHC are in the process of being upgraded for the HL-LHC (High-Luminosity Large Hadron Collider) which will produce more than 5 times the particle interactions than of the current LHC. One upgrade to CMS is the introduction of new GEM detectors (Gaseous Electron Multiplier), GE2/1 and ME0 shown at right are new detectors to CMS and therefore must be tested thoroughly prior to being installed.


All-Optical Probes Of Particle-Like Charge Migration Dynamics, Kyle A. Hamer Apr 2024

All-Optical Probes Of Particle-Like Charge Migration Dynamics, Kyle A. Hamer

LSU Doctoral Dissertations

Particle-like charge migration (CM) is the coherent, back-and-forth motion of a positively-charged electron hole along the backbone of a molecule following a sudden ionization. CM in small molecules generally occurs on an Angstrom (10-10 m) spatial scale and an attosecond (10-18 s) timescale. I use time-dependent density-functional theory (TDDFT) to simulate CM modes in organic molecules, and to explore all-optical probes of this attosecond electron dynamics using high-harmonic spectroscopy (HHS). By leveraging my results from previous studies of two-center interferences in carbon dichalcogens, in which I separated the harmonic signal into contributions from individual Kohn-Sham orbitals, I first …


Float Like A Butterfly, Sting Like A Bee!, Kobe D. Rome Apr 2024

Float Like A Butterfly, Sting Like A Bee!, Kobe D. Rome

SACAD: John Heinrichs Scholarly and Creative Activity Days

By injecting an electron into the empty pie* molecular orbital (LUMO) of Amino Acids in gas phase, we measure the Vertical Attachment Energies (VAEs) for the formation of short-lived anion states of these species using electron transmission spectroscopy (ETS). Our ETS study, a first of its kind to measure the VAE for the simplest of proteins, Glycine-Glycine (Gly-Gly), is currently in progress. Based on our previous measurements for several Amino Acids including Glycine, we expect a common range of attachment energy (1.50 – 2.00 eV) for Gly-Gly.


Modeling And Numerical Analysis Of The Cholesteric Landau-De Gennes Model, Andrew L. Hicks Apr 2024

Modeling And Numerical Analysis Of The Cholesteric Landau-De Gennes Model, Andrew L. Hicks

LSU Doctoral Dissertations

This thesis gives an analysis of modeling and numerical issues in the Landau-de Gennes (LdG) model of nematic liquid crystals (LCs) with cholesteric effects. We derive various time-step restrictions for a (weighted) $L^2$ gradient flow scheme to be energy decreasing. Furthermore, we prove a mesh size restriction, for finite element discretizations, that is critical to avoid spurious numerical artifacts in discrete minimizers that is not well-known in the LC literature, particularly when simulating cholesteric LCs that exhibit ``twist''. Furthermore, we perform a computational exploration of the model and present several numerical simulations in 3-D, on both slab geometries and spherical …


Advancements In Characterization Of Ancient Potteries From Southeast Asia: A Review Of Analytical Techniques, Chitnarong Sirisathitkul Mar 2024

Advancements In Characterization Of Ancient Potteries From Southeast Asia: A Review Of Analytical Techniques, Chitnarong Sirisathitkul

Makara Journal of Science

Ancient potteries offer valuable information regarding technological advancements, life dynamics, cultural diversity, and trade routes in the past. Earthenware, stoneware, and porcelain from Southeast Asia have been characterized using several analytical techniques, as reviewed in this article. Fluorescent and diffracted X-rays give rise to elemental and phase compositions, respectively. Examination of molecular bonds requires vibrational spectroscopy, which is useful for the identification of organic materials in ancient potteries. With the advent of portable X-ray fluorescence and Raman spectrometry, on-site analysis of archeological ceramics is now possible. For in-depth analysis, synchrotron light sources can provide new insights into artifacts through X-ray …


Spectroscopic End Point Detection With An Electron Beam Evaporator, Ryan Mcgraw Mar 2024

Spectroscopic End Point Detection With An Electron Beam Evaporator, Ryan Mcgraw

University Honors Theses

Spectroscopic end point detection is a common tool used for measuring slope changes in wavelength intensity. Using algorithms able to apply this concept, coatings will be able to be dynamically measured in real time and stopped at the appropriate level to ensure process uniformity. It is currently applied to reductive processes such as etching, where the surface will start to be eaten away, creating a plasma. When the entire amount of a material on a substrate has been eaten away, the plasma will change color as it is beginning to etch a different material. Using a spectrometer, this point where …


On The Exact Helium Wave Function Expansion, Ii, An Exponential Modulated Form, Carl W. David Jan 2024

On The Exact Helium Wave Function Expansion, Ii, An Exponential Modulated Form, Carl W. David

Chemistry Education Materials

A 11S wave function’s expansion for 2 electron atoms and ions is proposed employing an appropriate exponential factor and Fock’s logarithmic terms. The leading coefficient’s are presented.


Light That Appears To Come From A Source That Does Not Exist, Itamar Stern, Yakov Bloch, Einav Grynszpan, Merav Kahn, Yakir Aharonov, Justin Dressel, Eliahu Cohen, John C. Howell Jan 2024

Light That Appears To Come From A Source That Does Not Exist, Itamar Stern, Yakov Bloch, Einav Grynszpan, Merav Kahn, Yakir Aharonov, Justin Dressel, Eliahu Cohen, John C. Howell

Mathematics, Physics, and Computer Science Faculty Articles and Research

Superoscillatory, band-limited functions oscillate faster than their fastest Fourier component. Superoscillations have been intensively explored recently as they give rise to many out-of-the-spectrum phenomena entailing both fundamental and applied significance. We experimentally demonstrate a form of superoscillations which is manifested by light apparently coming from a source located far away from the actual one. These superoscillations are sensed through sharp transverse shifts in the local wave vector at the minima of a pinhole diffraction pattern. We call this phenomenon “optical ventriloquism.”


Questioning Reality: The Progressive Development Of Modern Physics, Joshua Lancman Jan 2024

Questioning Reality: The Progressive Development Of Modern Physics, Joshua Lancman

STEM for Success Showcase

Humanity has a tendency to divide time. The past is distinct from the present which is entirely separate from the future. In supposedly 20-20 vision history is neatly divided into different sections, distinct eras with sharp lines between them. What is present and in the future is always modern. What is past is something else with another name.

Yet time is not divided so neatly. We know this living through it: years and decades blend into one another in a non-uniform progression. To divide human history into separate eras is a necessary simplification, as it helps to ascribe order onto …


Single-Stage Few-Cycle Pulse Amplification, Sagnik Ghosh, Nathan G. Drouillard, Tj Hammond Jan 2024

Single-Stage Few-Cycle Pulse Amplification, Sagnik Ghosh, Nathan G. Drouillard, Tj Hammond

Physics Publications

Kerr instability can be exploited to amplify visible, near-infrared, and midinfrared ultrashort pulses. We use the results of Kerr instability amplification theory to inform our simulations amplifying few-cycle pulses. We show that the amplification angle dependence is simplified to the phase-matching condition of four-wave mixing when the intense pump is considered. Seeding with few-cycle pulses near the pump leads to broadband amplification without spatial chirp, while longer pulses undergo compression through amplification. Pumping in the midinfrared leads to multioctave spanning amplified pulses with single-cycle duration not previously predicted. We discuss limitations of the amplification process and optimizing pump and seed …


Charged Excitons And Trions In The Semiconductor Quantum Dot: Electronic Structure And Effect Of External Fields, Jayden Leonard Jan 2024

Charged Excitons And Trions In The Semiconductor Quantum Dot: Electronic Structure And Effect Of External Fields, Jayden Leonard

Theses, Dissertations and Capstones

In this thesis, we are studying the electronic structures and optical properties of charged excitons and trions (i.e., the exciton-associated quasi-particles in semiconductor materials) in quantum dots which have a three-dimensional confinement configuration. We also consider the effects of an external electric and magnetic field on the charged excitons. Initially theorized in 1958, charged excitons are a fairly new phenomenon in physics in which an exciton (i.e., an electron coupled with an electron hole) is coupled with either another electron or another hole (giving either a ‘negative exciton’ or ‘positive exciton’ accordingly). In the completely confined configuration like the quantum …


Lithium Tetraborate As A Neutron Scintillation Detector: A Review, Elena Echeverria, John W. Mcclory, Lauren Samson, Katherine Shene, Juan A. Colon Santana, Yaroslav V. Burak, Volodymyr T. Adamiv, Ihor M. Teslyuk, Lu Wang, Wai-Ning Mei, Kyle A. Nelson, Douglas S. Mcgregor, Peter A. Dowben, Carolina C. Ilie, James C. Petrosky, Archit Dhingra Dec 2023

Lithium Tetraborate As A Neutron Scintillation Detector: A Review, Elena Echeverria, John W. Mcclory, Lauren Samson, Katherine Shene, Juan A. Colon Santana, Yaroslav V. Burak, Volodymyr T. Adamiv, Ihor M. Teslyuk, Lu Wang, Wai-Ning Mei, Kyle A. Nelson, Douglas S. Mcgregor, Peter A. Dowben, Carolina C. Ilie, James C. Petrosky, Archit Dhingra

Faculty Publications

The electronic structure and translucent nature of lithium tetraborate (Li2B4O7) render it promising as a scintillator medium for neutron detection applications. The inherently large neutron capture cross-section due to 10B and 6Li isotopes and the ease with which Li2B4O7 can be enriched with these isotopes, combined with the facile inclusion of rare earth dopants (occupying the Li+ sites), are expected to improve the luminescent properties, as well as the neutron detection efficiency, of Li2B4O7. The electronic structure of both doped …


Electro-Optical Effect Of 4-N-Alkyl-Sulfanyl-4' Isothiocyanate-Biphenyl Liquid Crystal Homologous Series Under Terahertz Frequency: A Theoretical Approach, Yogesh Kumar, Narinder Kumar Dec 2023

Electro-Optical Effect Of 4-N-Alkyl-Sulfanyl-4' Isothiocyanate-Biphenyl Liquid Crystal Homologous Series Under Terahertz Frequency: A Theoretical Approach, Yogesh Kumar, Narinder Kumar

Makara Journal of Science

This work presented the electro-optical effect of the homologous series 4-n-alkyl-sulfanyl-4'-isothiocyanate-biphenyl (N1SC13H8-SH2n+1Cn) under an electric field with terahertz (THz) frequency. The increase in alkyl sulfanyl chain length reduces the birefringence but increases the order parameter in THz frequency. An inverse relationship exists between the birefringence and order parameter. Meanwhile, the increase in alkyl sulfanyl chain length increases the refractive index with an even–odd effect. Birefringence, refractive index, order parameter, and director angle show an even–odd effect in the THz frequency range. The calculation is performed between 1 and 1,200 THz frequency. The isothiocyanate stretching corresponding to …


Radiation Exposure Calibration Of The Al2o3:C With Radium-226 And Cesium-137 Using The Osl Method, Selma Tepeli Aydin Dec 2023

Radiation Exposure Calibration Of The Al2o3:C With Radium-226 And Cesium-137 Using The Osl Method, Selma Tepeli Aydin

All Theses

Optically stimulated luminescence (OSL) dosimetry was utilized to calibrate Al2O3:C powder dosimeters, available commercially as the nanoDot® from Landauer Inc., and compare the dosimeter response to radium-226 (226Ra) and cesium-137 (137Cs). The signal from the OSL was quantified using a microSTARii® OSL reader also produced by Landauer Inc. Dose-response curves were developed for 226Ra and 137Cs experiments (5 dosimeters each) at thirteen absorbed doses. Individual dosimeter response was tracked by serial number. Linear regression analysis was performed to determine if there were significant differences between the intercepts of the …


Analyzing The Effects Of Ultrafast Laser Processing On Mechanical Properties Of 3d-Printed Pla Parts, Darshan Pramodbhai Yadav Dec 2023

Analyzing The Effects Of Ultrafast Laser Processing On Mechanical Properties Of 3d-Printed Pla Parts, Darshan Pramodbhai Yadav

Theses and Dissertations

Recent advances in additive manufacturing technologies have already led to wide-scale adoption of 3D-printed parts in various industries. The expansion in choice of materials that can be processed, particularly using Fused Deposition Modeling (FDM), and the steady advancements in dimensional accuracy control have extended the range of applications far beyond rapid prototyping. However, additive manufacturing still has considerable limitations compared to traditional and subtractive manufacturing processes. This work addresses limitations associated with the as-deposited surface roughness of 3D-printed parts. The effects of roughness-induced stress concentrations were studied on ultimate tensile strength and fatigue life. The samples were manufactured using a …


Acoustically Levitated Whispering-Gallery Mode Microlasers, H. M. Reynoso-De La Cruz, E. D. Hernández-Campos, E. Ortiz-Ricardo, A. Martínez-Borquez, I. Rosas-Román, V. Contreras, G. Ramos-Ortiz, B. Mendoza-Santoyo, Cecilia Zurita-Lopez, R. Castro-Beltrán Nov 2023

Acoustically Levitated Whispering-Gallery Mode Microlasers, H. M. Reynoso-De La Cruz, E. D. Hernández-Campos, E. Ortiz-Ricardo, A. Martínez-Borquez, I. Rosas-Román, V. Contreras, G. Ramos-Ortiz, B. Mendoza-Santoyo, Cecilia Zurita-Lopez, R. Castro-Beltrán

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Acoustic levitation has become a crucial technique for contactless manipulation in several fields, particularly in biological applications. However, its application in the photonics field remains largely unexplored. In this study, we implement an affordable and innovative phased-array levitator that enables stable trapping in the air of micrometer dye-doped droplets, thereby enabling the creation of microlasers. For the first time, this paper presents a detailed performance of the levitated microlaser cavity, supported by theoretical analysis concerning the hybrid technology based on the combination of whispering-gallery modes and acoustic fields. The pressure field distribution inside the acoustic cavity is numerically solved and …


Experiments With Monopoles, Rings And Knots In Spinor Bose-Einstein Condensates, Alina A. Blinova Nov 2023

Experiments With Monopoles, Rings And Knots In Spinor Bose-Einstein Condensates, Alina A. Blinova

Doctoral Dissertations

Topological excitations are ubiquitous in nature, their charge being a naturally-quantized, conserved quantity that can exhibit particle-like behavior. Spinor Bose-Einstein condensates (BECs) are an exceptionally versatile system for the study and exploration of topological excitations. Between the spin-1 and spin-2 87Rb condensates there are seven possible broken-symmetry magnetic phases, with each one hosting unique opportunities for topological defects. We have created and observed several novel topological excitations in a spinor 87Rb BEC. In this dissertation I present and discuss three principal experimental findings: (1) The discovery of an Alice ring, or a half-quantum vortex ring, emerging from a …


Thermal Conductivity And Mechanical Properties Of Interlayer-Bonded Graphene Bilayers, Afnan Mostafa Nov 2023

Thermal Conductivity And Mechanical Properties Of Interlayer-Bonded Graphene Bilayers, Afnan Mostafa

Masters Theses

Graphene, an allotrope of carbon, has demonstrated exceptional mechanical, thermal, electronic, and optical properties. Complementary to such innate properties, structural modification through chemical functionalization or defect engineering can significantly enhance the properties and functionality of graphene and its derivatives. Hence, understanding structure-property relationships in graphene-based metamaterials has garnered much attention in recent years. In this thesis, we present molecular dynamics studies aimed at elucidating structure-property relationships that govern the thermomechanical response of interlayer-bonded graphene bilayers.

First, we present a systematic and thorough analysis of thermal transport in interlayer-bonded twisted bilayer graphene (IB-TBG). We find that the introduction of interlayer C-C …


The Fate Of The Crossbridge After Phosphate Rebinding: Implications For Fatigue, Christopher P. Marang Nov 2023

The Fate Of The Crossbridge After Phosphate Rebinding: Implications For Fatigue, Christopher P. Marang

Doctoral Dissertations

In response to repeated intense contractile activity, a muscle’s ability to generate force decreases due to the created state of muscular fatigue. This compromised force production state is dependent on changes within the microenvironment of muscle thought to alter the function of the force generating, contractile protein myosin. For example, phosphate (Pi), elevated during fatigue, has been suggested to alter how myosin generates force. However, the effects of Pi are not straightforward, as muscle fiber data suggest that Pi's interaction with myosin may be force-dependent. In particular, Pi has no effect on maximal shortening …


Equilibrium And Quench-Dynamical Studies Of Ultracold Fermions In Ring-Shaped Optical Traps, Daniel Gordon Allman Nov 2023

Equilibrium And Quench-Dynamical Studies Of Ultracold Fermions In Ring-Shaped Optical Traps, Daniel Gordon Allman

Dartmouth College Ph.D Dissertations

The unique capability to precisely tune the few and many-body configurations of
ultracold Fermi gases provides a multi-dimensional platform for studying novel, ex-
otic aspects of quantum systems. These aspects include superfluid/superconducting
phenomena supported by potentially exotic pairing mechanisms, non-equilibrium and
critical dynamics, and proposed quantum sensing or computing applications based on
atomtronics.
Ring geometries provide natural arenas for probing transport properties of super-
fluids. Metastable states of quantized superfluid flow —persistent currents— exhibit
remarkable properties, and the manner in which they form is an incredibly rich sub-
ject. Studies of quenched superfluids demonstrate that persistent currents can form
from …


Quantitative, Photocurrent Multidimensional Coherent Spectroscopy, Adam Halaoui Nov 2023

Quantitative, Photocurrent Multidimensional Coherent Spectroscopy, Adam Halaoui

Electronic Theses and Dissertations

Multidimensional coherent spectroscopy (MDCS) is a quickly growing field that has a lot of advantages over more conventional forms of spectroscopy. These advantages all come from the fact that MDCS allows us to get time resolved correlated emission and absorption spectra using very precisely chosen interactions between the density matrix and the excitation laser. MDCS spectra gives the researcher a lot of information that can be extracted purely through qualitative analysis. This is possible because state couplings are entirely separated on the spectra, and once we know how to read the data, we can see how carriers transport in the …


Ferroelectric Hafnia Surface In Action, Xia Hong Sep 2023

Ferroelectric Hafnia Surface In Action, Xia Hong

Nebraska Center for Materials and Nanoscience: Faculty Publications

Piezoresponse microscopy and spectroscopy reveal the inextricable role of surface electrochemistry in stabilizing and controlling ferroelectricity in doped hafnia.

Doped hafnia (HfO2), a relatively new member of the ferroelectric family, has challenged in many ways our conventional perception of ferroelectric oxides. It possesses extremely localized electric dipoles that are independently switchable,1 making it immune to finite size effects — the loss of long-range dipole order in ferroic materials due to size scaling. While polycrystalline grains and microstructures can yield lower polarization and poorer cycling behavior in canonical ferroelectrics such as Pb(Zr,Ti)O3 and BaTiO3, in …


Theoretical Framework Of Exchange Coupled Tripartite Spin Systems With Magnetic Anisotropy And Predictions Of Spin And Electronic Transport Properties For Their Use In Quantum Architectures, Eric Switzer Aug 2023

Theoretical Framework Of Exchange Coupled Tripartite Spin Systems With Magnetic Anisotropy And Predictions Of Spin And Electronic Transport Properties For Their Use In Quantum Architectures, Eric Switzer

Electronic Theses and Dissertations, 2020-

There has been significant interest in spin systems involving two or more coupled spins as a single logical qubit, particularly for scalable quantum computing architectures. Recent realizations include the so-called singlet-triplet qubits and coupled magnetic molecules. An important class of coupled-spin systems, the three-spin paradigm for spin greater than 1/2, has not yet been fully realized in scalable qubit architectures. In this thesis, I develop the theoretical framework to investigate a class of tripartite spin models for realistic systems. First, I model a spin 1/2 particle (e.g., an electron) and two spin 1 particles (in a dimer arrangement) coupled with …


Design And Fabrication Of A Trapped Ion Quantum Computing Testbed, Christopher A. Caron Aug 2023

Design And Fabrication Of A Trapped Ion Quantum Computing Testbed, Christopher A. Caron

Masters Theses

Here we present the design, assembly and successful ion trapping of a room-temperature ion trap system with a custom designed and fabricated surface electrode ion trap, which allows for rapid prototyping of novel trap designs such that new chips can be installed and reach UHV in under 2 days. The system has demonstrated success at trapping and maintaining both single ions and cold crystals of ions. We achieve this by fabricating our own custom surface Paul traps in the UMass Amherst cleanroom facilities, which are then argon ion milled, diced, mounted and wire bonded to an interposer which is placed …


Anomaly Detection In The Molecular Structure Of Gallium Arsenide Using Convolutional Neural Networks, Timothy Roche *, Aihua W. Wood, Philip Cho *, Chancellor Johnstone Aug 2023

Anomaly Detection In The Molecular Structure Of Gallium Arsenide Using Convolutional Neural Networks, Timothy Roche *, Aihua W. Wood, Philip Cho *, Chancellor Johnstone

Faculty Publications

This paper concerns the development of a machine learning tool to detect anomalies in the molecular structure of Gallium Arsenide. We employ a combination of a CNN and a PCA reconstruction to create the model, using real images taken with an electron microscope in training and testing. The methodology developed allows for the creation of a defect detection model, without any labeled images of defects being required for training. The model performed well on all tests under the established assumptions, allowing for reliable anomaly detection. To the best of our knowledge, such methods are not currently available in the open …


Study Of Highly Charged Ion Charge Exchange With Applications To X-Ray Astrophysics, Richard Mattish Aug 2023

Study Of Highly Charged Ion Charge Exchange With Applications To X-Ray Astrophysics, Richard Mattish

All Dissertations

Highly charged ions (HCIs) exist in many hot astrophysical environments where they play an important role in plasma dynamics. Charge exchange involving highly charged ions has been shown to be responsible for many observed X-ray emissions from a variety of astrophysical sources. Proper modeling of these environments requires an understanding of this process, including the electronic structure of each ion species as well as their charge exchange cross sections. This dissertation investigates charge exchange processes with highly charged ions which are present in astrophysical environments via a laboratory-based study.

The Clemson University electron beam ion trap (CUEBIT) laboratory was utilized …


Simulating Strongly Coupled Many-Body Systems With Quantum Algorithms, Manqoba Qedindaba Hlatshwayo Aug 2023

Simulating Strongly Coupled Many-Body Systems With Quantum Algorithms, Manqoba Qedindaba Hlatshwayo

Dissertations

The complexity of the nuclear many-body problem is a severe obstacle to finding a general and accurate numerical approach needed to simulate medium-mass and heavy nuclei. Even with the advent of exascale classical computing, the impediment of exponential growth of the Hilbert space renders the problem intractable for most classical calculations. In the last few years, quantum algorithms have become an attractive alternative for practitioners because quantum computers are more efficient in simulating quantum physics than classical computers. While a fully fault-tolerant universal quantum computer will not be realized soon, this dissertation explores quantum algorithms for simulating nuclear physics suitable …


High-Power Laser Cooling And Temperature-Dependent Fluorescence Studies Of Ytterbium Doped Silica, Brian Topper Aug 2023

High-Power Laser Cooling And Temperature-Dependent Fluorescence Studies Of Ytterbium Doped Silica, Brian Topper

Optical Science and Engineering ETDs

Experimental observation of optical refrigeration using ytterbium doped silica glass in recent years has created a new solution for heat mitigation in high-power laser systems, nonlinear fiber experiments, integrated photonics, and precision metrology. Current efforts of different groups focus on compositional optimization, fiber fabrication, and investigating how much silica can be cooled with a laser. At the start of this work, the best effort in laser cooling ytterbium doped silica saw cooling by 6 K from room temperature. This dissertation follows the experimental efforts that culminated in the increase of this initial record by one order of magnitude. Comprehensive spectroscopic …


Study Of Radiation Effects In Gan-Based Devices, Han Gao Jul 2023

Study Of Radiation Effects In Gan-Based Devices, Han Gao

Electrical Engineering Theses and Dissertations

Radiation tolerance of wide-bandgap Gallium Nitride (GaN) high-electron-mobility transistors (HEMT) has been studied, including X-ray-induced TID effects, heavy-ion-induced single event effects, and neutron-induced single event effects. Threshold voltage shift is observed in X-ray irradiation experiments, which recovers over time, indicating no permanent damage formed inside the device. Heavy-ion radiation effects in GaN HEMTs have been studied as a function of bias voltage, ion LET, radiation flux, and total fluence. A statistically significant amount of heavy-ion-induced gate dielectric degradation was observed, which consisted of hard breakdown and soft breakdown. Specific critical injection level experiments were designed and carried out to explore …


Application Of A Diatomic Molecule Model Potential To A Series Of Homo- And Heterodiatomic Molecules, Dorien E. Carpenter, Javier E. Hasbun Jul 2023

Application Of A Diatomic Molecule Model Potential To A Series Of Homo- And Heterodiatomic Molecules, Dorien E. Carpenter, Javier E. Hasbun

Georgia Journal of Science

We apply a one-dimensional classical model of a diatomic molecule model potential with modifications to H2, HF, LiF, N2, and CO. We obtain the unknown parameters of this model by digitizing plots of the potential curves for the molecules from a published, Hartree-Fock based theoretical electron correlation calculation (Piris 2017). We then apply the method of successive approximations to the model in order to calculate the wavenumber for each molecule in the series. The wavenumber depends on a parameter which in turn depends on the initial conditions. The value of this parameter for each individual molecule …