Physical Sciences and Mathematics Commons^™

Pentagonal Pdte2 Monolayer For Sustainable Solar-Driven Hydrogen Production, Narender Kumar, Shambhu Bhandari, Dario Alfè, Ravindra Pandey, Nacir Tit

Michigan Tech Publications

This investigation demonstrates that the pentagonal PdTe2 (penta-PdTe2) monolayer is a highly tunable two-dimensional (2D) photocatalyst, characterized by the bandgap of 1.87 eV and high hole mobility. Using density functional theory calculations with the HSE06 functional, we show that tensile strain engineering (particularly at +2% and +3%) is essential for enabling spontaneous water splitting. At these strain values, the valence-band maximum and conduction-band maximum straddle the water redox potentials (H+/H2 and O2/H2O) under both acidic (pH = 0) and neutral (pH = 7) conditions. The monolayer's low hole effective mass facilitates rapid charge extraction, mitigating recombination and driving the oxygen …

Quantum Mechanics, Non-Locality, And The Space Discreteness Hypothesis, Wilson A. Zuniga-Galindo

School of Mathematical & Statistical Sciences Faculty Publications

The space discreteness hypothesis asserts that the nature of space at short distances is radically different from that at large distances. Based on the Bronstein inequality, here, we use a totally disconnected topological space X as a model for the physical space at short distances. However, we consider the time as a real variable. In this framework, the Dirac–von Neumann formalism can be used. This discreteness hypothesis implies that given two different points in space, there is no continuous curve (a world line) joining them. Consequently, this hypothesis is not compatible with the theory of relativity. We propose R×(R×X)3 as …

On-Shell Compression And Reconstruction (Oscar) Of Monochromatic Wave Fields In Weakly Scattering Media, Pablo Jara, Alexey Yamilov

Research Data

Overview

This deposit contains one realization of each of the two simulation platforms of Ref. [1], a two-dimensional (2D) scalar field and a three-dimensional (3D) vector-field component, together with two self-contained Python scripts that perform On-Shell Compression and Reconstruction (OSCAR) on them. Each script Fourier-transforms the stored field, measures the shell radius from the spectrum, retains only the Fourier components inside the shell of full width α/ℓs around it for α = 1, 3, 5, 8, 12, reconstructs the field by the inverse transform, and plots the reconstructed intensities, panels (a)–(e), next to the original field, panel (f), on a …

Libs-Based Detection And Preliminary Classification Of Microplastic Signatures In Soil Samples., Ekhlas Jabir Mahmood

Al-Bahir

Contamination of terrestrial systems by microplastics (MPs) has become a critical environmental hazard, but detection of such contaminants in a complex soil system is a challenge for conventional analytical techniques. This research aims to assess the potential of Laser-Induced Breakdown Spectroscopy (LIBS) for the detection and differentiation of different types of microplastics, including HDPE, LDPE, PP, PS, and PVC, dispersed in the soil of Al Najaf, Iraq. Soil samples were collected from different functional zones, namely, Industrial, Commercial, Agricultural, Residential, and Roadside, at the surface level and 30 cm depth. Detection was done by measuring the intensity of the C/H …

Gc-Ms Profiling And Antibacterial Activity Of Cold-Macerated Garlic Extracts Against Multidrug-Resistant Uropathogens, Fatima A. Khalaf, Saeed A. Fayadh

Karbala International Journal of Modern Science

The growing number of cases of multidrug-resistant (MDR) urinary tract infections has made the clinical management of urinary tract diseases a significant challenge; therefore, the need for effective adjunctive therapies cannot be overemphasized. This study evaluated the bioactive components and antibacterial efficacy of cold-macerated garlic extracts obtained using distilled water, 70% ethanol and hexane solvents against antimicrobial-resistant urinary isolates. Out of 250 urine samples that were analyzed, 124 (49.6%) showed significant microbial growth, with Escherichia coli being the most frequently isolated organism. The results of the phytochemical screening and Gas Chromatography-Mass Spectrometry (GC-MS) analysis showed that the ethanolic extract had …

Potential Energy Landscape Formalism For Quantum Liquids, Yang Zhou

Dissertations, Theses, and Capstone Projects

Atomic delocalization due to nuclear quantum effects (NQE) remains poorly understood in low-temperature liquids near the glass state and during vitrification. Many liquids can be described accurately by treating their nuclei as classical particles, but this approximation fails for light elements such as He and H₂, small hydrogen-containing molecules such as water, and systems in which zero-point motion or isotope-substitution effects are important. Developing a general thermodynamic and statistical-mechanical description of such liquids has been challenging. This dissertation extends the potential energy landscape (PEL) formalism, originally developed for classical liquids and glasses, to liquids that obey quantum mechanics and exhibit …

The Inverse Elasto-Acoustic Problem, Patrick Grice

Dissertations

A stable and numerically efficient boundary integral method formulation of the elasto-acoustic problem is presented, based on Fourier analysis. The method generalizes well to multiple scattering. The Frechet derivative of the elasto-acoustic problem with respect to shape perturbations is derived, and geometric flow theory is used to design stable numerical methods for the simulation of moving boundaries. The shape derivative is used to define a regularized Gauss-Newton algorithm for shape fitting of elasto-acoustic scatterers.

Solar Wind - Magnetosphere - Ionosphere Coupling Processes Through Small-Scale Magnetic Flux Ropes, Youra Shin

Dissertations

Small-scale magnetic flux ropes (SMFRs) in the solar wind are examined to determine their properties in the near-Earth upstream region and their effects on geospace. Although SMFRs are observed frequently in the solar wind, their statistical behavior near Earth and their role in solar wind-magnetosphere-ionosphere coupling remain insufficiently constrained. In this dissertation, an automated Grad-Shafranov reconstruction technique is applied to magnetic field and plasma measurements from MMS and Wind, and ionospheric responses are investigated using geomagnetic indices and SuperDARN observations. During the survey period, MMS has an apogee of approximately 25-29 R_E. This orbital configuration allows the near-Earth …

A Variational Algorithm For Preparing Superoptimal Thermal States For Quantum Thermometric Measurement Adaptable To Nisq Hardware, Nicholas Donatelli

Graduate Masters Theses

The conditional thermal state (CTS) is a probe-specific quantum thermal state that is known to outperform the Gibbs state in quantum thermometric measurements at sufficiently low temperatures. This thesis introduces a variational quantum algorithm designed to prepare the CTS on quantum computing hardware which optimizes the angular parameters of the quantum gates that comprise the ansatz circuit and, for the one-qubit case, minimizes relative infidelity of the output state with the known CTS. Using noiseless numerical simulations (SPSA with Qiskit), attempting to prepare the CTS yielded relative infidelities with the known CTS on the order of $10^{-5}$ for most parameter …

Modeling Kinetics Of 5-Aminolevulinic Acid-Induced Protoporphyrin Ix Accumulation For Optimal Photodynamic Therapy, Priscilla Melebor

Graduate Masters Theses

Photodynamic therapy (PDT) is a minimally invasive treatment that uses light-activated photosensitizers to selectively destroy diseased tissue through the generation of reactive oxygen species. However, conventional in vitro models often fail to accurately reproduce the pharmacokinetics of photosensitizer accumulation and clearance observed in vivo. This study investigated protoporphyrin IX (PpIX) accumulation following 5-aminolevulinic acid (ALA) exposure under physiologically relevant conditions using two-dimensional (2D) monolayers and three-dimensional (3D) spheroids. By comparing continuous ALA exposure with transient exposure followed by ALA washout, this work provides a more biologically relevant framework for studying PpIX kinetics and optimizing photodynamic therapy.

The Sliding Aperture Transform: A Mathematical Method Applied To Radiation-Induced Dlts Capacitance Transients, Md Abu Bakkar Siddique

Graduate Masters Theses

This thesis presents the Sliding Aperture Transform (SLAPt), a novel mathematical technique for extracting exponential argument and pre-factor  from experimental data. The method transforms measured waveforms into an inverse-domain representation where exponential decay processes appear as distinct peaks, simplifying data analysis and reducing the effects of baseline offsets and noise. The technique is here applied to time dependent capacitance transients associated with irradiated and non-irradiated silicon pn junction diodes. The technique is further developed and applied to positive argument exponentials using an axillary function. This allows forward bias  current-voltage measurements, and forward pulse-bias current transient measurements to be SLAP analyzed, …

Synthesizing Viscoelasticity: Living Polymers, Micro-Macro Relations, And Paths For Resolution, Adam M. Hasler

Graduate Masters Theses

This thesis investigates the relationship between macroscopic rheological signals and underlying microscopic dynamics in complex fluids, specifically focusing on ”living polymers” within the cetyltrimethylammonium bromide (CTAB) and sodium salicylate (NaSal) surfactant system. The research addresses the inverse parameterization problem, demonstrating how bulk measurements like zero-shear viscosity can mask fundamentally different physical topologies, such as purely cylindrical, reptating micelles versus highly branched networks. Through the successful synthesis of viscoelastically ”degenerate” samples, the study utilizes an array of characterization techniques including frequency sweeps, Large Amplitude Oscillatory Shear (LAOS) to resolve these unique underlying states. Furthermore, the work explores further avenues of study …

Microrheological Characterization Of Collagen-I Extracellular Matrix Remodeling During Tr146 Tumor Spheroid Invasion And Ppix-Mediated Photodynamic Therapy, Himantha Dilshan Saldonge

Graduate Masters Theses

Oral squamous cell carcinoma (OSCC) invasion is strongly regulated by interactions between tumor cells and the surrounding extracellular matrix (ECM). However, localized ECM mechanical changes during tumor invasion and after photodynamic therapy (PDT) remain insufficiently understood. This study mainly investigated: time-dependent viscoelastic remodeling of collagen-I ECM during TR146 tumor cell invasion, visualization of time-dependent TR146 tumor cell invasion and post-PDT response using live/dead fluorescence imaging, and the direct effect of PpIX-mediated PDT on the viscoelastic properties of spheroid-free collagen-I ECM. Three-dimensional TR146 spheroids were generated using a non-adherent agarose-based method, surrounded by a basement-membrane-like Matrigel layer, and embedded in 3.0 …

Symmetry Breaking And Restoration In The Grasshopper Ising Model, Aradh Bisarya

Graduate Masters Theses

Distance-selective interactions in Ising systems give rise to a range of rich and unexpected phenomena. A notable example is the so-called Grasshopper Ising model, a conserved spin Ising model with interactions only between spins at a fixed distance. This model is the discrete version of the following mathematical problem: A grasshopper lands at a random point on a planar lawn of area one. It then makes one jump of fixed distance in a random direction. What lawn shape maximizes the probability that the grasshopper lands on the lawn after the jump? The solution to this problem, corresponding to the ground …

Symmetric Informationally Complete Positive Operator Valued Measures Minimize P-Norm Difference Between Quantum And Classical Probability Rules, Austin Monaghan

Graduate Masters Theses

Experimental violations of Bell's inequality demonstrate quantum theory's incompatibility with a local hidden-variable formulation. Simply put, either 1) measurements performed at one point in space may instantaneously influence far away systems ("spooky action at a distance") or 2) measurement outcomes are not the result of pre-existing properties. The act of measurement takes part in the very creation of the outcomes. If we reject condition 1 as a valid assumption, how can we interpret the significance of condition 2 i.e. no local parameters?  In QBism, condition 2 arises from something deeper: that the Born rule expresses a nonclassical condition for connecting …

Dynamics Of Swimming Microorganisms At Structured Liquid Crystal Interfaces, Vajra Sabhapathy Badha

Graduate Doctoral Dissertations

Active matter systems are self-driven units that consume energy to generate motion and mechanical stresses, producing non-equilibrium states of broad physical significance. Examples include synthetic microswimmers and migrating cells. Motile bacteria are a widely studied biological example because their self-propelled motion, hydrodynamic interactions, and collective organization are strongly coupled to local environmental conditions. Their swimming is sensitive to interfacial viscoelasticity, ordering, confinement, and hydrodynamic boundary effects, making them useful for investigating how interfaces regulate active biological motion. Because bacterial accumulation and attachment at interfaces are central to colonization and biofilm formation, these interactions are relevant to both active matter physics …

Informationally Complete Measurements In Quantum Theory: Implementation, Geometry, And Correlations, Sachin Gupta

Graduate Doctoral Dissertations

Informationally complete measurements provide a bridge between the operational and geometric structure of quantum theory. They allow quantum states to be reconstructed from measurement probabilities. This thesis studies informationally complete measurements from two complementary perspectives: their physical implementation and their role in the probabilistic reconstruction of quantum theory.

The first part develops a symmetry-driven Naimark extension for rank-one Weyl- Heisenberg covariant Projective Operator-Valued Measures (POVMs) in arbitrary finite dimension. Since every element of such a POVM is generated from a single fiducial state by the Weyl-Heisenberg displacement operators, the full measurement inherits a strong covariance structure. We show that this …

The Grasshopper's Journey To The Bloch Sphere, David Llamas

Graduate Doctoral Dissertations

The Grasshopper Problem asks a simple geometric question. A grasshopper lands on a lawn of fixed area and jumps a fixed distance in a random direction. What shape of lawn maximizes the probability that the grasshopper remains on the lawn after jumping? The jump rule is rotationally symmetric, but the best lawns do not have to be. This dissertation studies how that symmetry breaking occurs, maps the continuum problem to a novel constrained spin system, and uses the spherical Grasshopper Problem to compare quantum singlet correlations with classical local models.

For planar lawns, boundary-integral and perturbative calculations explain why the …

Redesigning Quantum Theory, Matthew Weiss

Graduate Doctoral Dissertations

QBism understands quantum mechanics to be probability theory supplemented by additional nonclassical coherence conditions. In this dissertation, we develop these nonclassical coherence conditions from first principles, emphasizing the role of a well chosen reference measurement. After treating standard probability on subjective Bayesian lines, we demonstrate an equivalence between the QBist approach and the existing framework of generalized probabilistic theories. We show that the fundamental nonclassical coherence relation may almost always be taken to be a gentle modification of the law of total probability, and give a coherentist account of when an experimental scenario has a classical explanation. Finally, we show …

A Statistical Mechanics Approach To Reinforcement Learning, Jacob Adamczyk

Graduate Doctoral Dissertations

Reinforcement learning (RL), the study of optimal decision-making over long timescales in stochastic systems, has recently seen remarkable advances due in large part to the efforts of the deep learning community. RL has witnessed great success in solving problems in video games, robotics, biological control, and language modeling. However, a unified statistical mechanics framework to understand and develop the corresponding algorithms is lacking. To address this issue, we begin by showing that the reinforcement learning problem can be formulated and solved using the tools of statistical mechanics. Drawing on physical principles of free energy minimization and invariance, we address important …

Enhanced Osseointegration Of Functionally Graded Co˗Cr˗Mo˗Ti/Ha Implants: In Vitro And In Vivo Study In A Rabbit Model, Afrah M. Al Hussainey, Randa Kamel Hussain, Aseel Mustafa Abdul Majeed

Karbala International Journal of Modern Science

    The present investigation aims to evaluate the effects of acid and laser surface treatments on the surface characteristics, biocompatibility, and osseointegration of functionally graded implants fabricated from a Co–Cr–Mo–Ti/HA alloy. The implant surfaces were modified using either an Nd: YAG laser or hydrochloric acid (HCl), while untreated implants served as controls. Atomic force microscopy (AFM) showed that the acid-treated surface exhibited the highest mean surface roughness (Sa) of 58.10 ± 0.24 nm compared to the laser-treated surface (42.64 ± 0.83 nm) and the untreated surface (37.73 ± 0.89 nm). The MTT assay also demonstrated a favourable cellular response on the …

Toward A Post-Modern Daoist Pedagogy: Bridging Complexity And Dao Through Inner Cultivation And Autopoietic Currere, Jie Yu, Jingyu Liu

Journal of Contemplative and Holistic Education

This article first critically examines the call to reenchant the world as it resonates within a middle space between science and mysticism and then connects key ideas from complexity theory and systems thinking on complex adaptive systems with two seminal Daoist texts: the Neiye (《內業》, Inner Cultivation), a proto-Daoist chapter from the Guanzi anthology (4th–3rd century B.C.E.), and the Huangting Jing (《黃庭經》, Yellow Court Scripture), a later Daoist classic (3rd–4th century C.E.). Through this dialogue, the article advocates a post-modern Daoist pedagogy through inner cultivation and autopoietic currere—an autopoietic process wherein curriculum emerges organically through participatory dialogue …

Fabrication Of Objectives For Imaging Ultracold Lithium, Danelle Akanova

Dartmouth College Master’s Theses

This thesis develops a documented, reproducible procedure for building diffraction-limited microscope objectives entirely from catalog singlets, for imaging ultracold 6Li atoms in a ring-trap experiment. The objectives must resolve micron-scale features through a 5 mm fused-silica vacuum window, operate at multiple wavelengths, fit inside a 48 mm magnet bore, and contain no conductive or magnetic material, because the surrounding coils switch 0.1 T fields on microsecond timescales. Commercial long-working-distance objectives are universally housed in metal, which the eddy-current constraint rules out, and custom fabrication of a suitable non-conductive matched pair is estimated at nearly $200k.

The procedure is developed and …

Temperature Predictions With Zncuins/Zns Quantum Dots, Reu/Fri Program Physics And Astronomy, Amber Banks

Student Works

For hundreds of years, humans have built thermometers based on the principles of thermal expansion and contraction. In the modern world, there is a need to scale down our thermometers to monitor cellular reactions, both within the human body and within artificial organ chips. Lewis et al. (2020) introduces a nanoscale thermometer based on the thermal expansion of CdTe quantum dots. When ex panded, these dots exhibit systematic changes in photoluminescence (PL) which are recognized by a neural network as an increase in temperature. Our research builds upon the framework of Lewis et al. (2020), testing its feasibility with ZnCuInS/ZnS …

Synthesis, Thermal Stability, And Ionic Conductivity Of Phenyl-Extended Viologen Ditriflate Salts: Tailoring Properties Via Oxyethylene Chain Length, Seonghyeok L. Cox, Emily Moon, Si L. Chen, David King, Haesook Han, Pradip K. Bhowmik, Calvin Ng Yi Bin, Thamil Selvi Velayutham, Alfonso Martinez-Felipe

Chemistry and Biochemistry Faculty Research

Six new phenyl-extended viologen salts with oxyethylene groups paired with triflate anions (OTF) have been synthesized using anionic ring-opening and ring-closing reactions (ANRORC) and metathesis reactions with LiOTf salts. The salts, which contain terminal oxyethylene chains of varying lengths ((CH₂CH₂O)_n, n = 1, 2, 3, 4, 5, and 7), are named PEOn-OTF. These materials exhibit a fluorescence response and possess high thermal stability, with processing windows up to approximately 300 °C, as confirmed by thermogravimetric analysis. While samples with short chain lengths (n = 1, 2, and 3) undergo crystallization observed …

Feedback Indices To Evaluate Llm Responses To Rebuttals For Multiple Choice Type Questions, Justin C. Dunlap, Anne-Simone Parent, Ralf Widenhorn

Physics Faculty Publications and Presentations

We present a set of indices designed to characterize Large Language Model (LLM) responses when challenged with rebuttals during a chat. Assessing how LLMs respond to user dissent is crucial for understanding their reliability and behavior patterns, yet the complexity of human-LLM interactions makes systematic evaluation challenging. Our approach employs a fictitious-response rebuttal method that quantifies LLM behavior when presented with multiple-choice questions followed by deliberate challenges to their fictitious previous response. The indices are specifically designed to detect and measure what could be characterized as sycophantic behavior (excessive agreement with user challenges) or stubborn responses (rigid adherence to the …

Exploring Red Palm Oil As A Sustainable Plasticizer For Carbon Black-Filled Ssbr/Br Tire Tread Compounds: A Comparative Evaluation Of Commercial Alternatives, Norma Arisanti Kinasih, Mohamad Irfan Fathurrohman, Santi Puspitasari, Dewi Kusuma Arti, Abdulhakim Masa

Journal of Materials Exploration and Findings

This study investigates the application of red palm oil (RPO) as an alternative vegetable oil resource to substitute petroleum-based plasticizers, which have environmental and health concerns, in carbon black (CB)-filled SSBR/BR tire tread compounds. The plasticizing effects of RPO were thoroughly evaluated by comparing them with a commercial bio-based plasticizer, Epoxidized Soybean Oil (ESBO), and two safer petroleum-based oils, Naphthenic Oil (NYNAS) and Treated Distillate Aromatic Extract (TDAE). The initial investigation shows that fatty acid composition is imposing regarding the plasticizing effect. The higher unsaturated fatty acid content in RPO than in ESBO improved tensile strength and degraded rolling resistance …

Metallurgical Investigation Of A Modified Eye Bolt Failure Caused By Improper Weld Extension, Specification Deviation, And Crevice Corrosion, Dimas Muhammad Fawwaz, Reza Miftahul Ulum, Johny Wahyuadi Soedarsono, Yudha Pratesa

Journal of Materials Exploration and Findings

A modified eye bolt from the David Arm Manhole Storage Tank underwent thorough metallurgical study due to the consequences of the bolt's malfunction during operation. Safety issues arose when the manhole door detached during operation. The mechanical testing and chemical composition analysis of the bolts indicated they were manufactured from an ASTM A193 Grade B7 material used for high-temperature bolting. This material did not conform to the engineering drawing, which mentioned SA 563A, which is about nuts, not bolts. This contradiction clearly shows that the eye bolt which was installed does not conform to the intended design. Welded connections of …

Rejection Of Fe (Iron) And Kmno4 (Organic Substance) Parameters In Peat Water Using Organic Membranes, Muhamad Rafli Sakti Mulia Gonera, Siti Umi Kalsum, Sarah Fiebrina Heraningsih

Journal of Materials Exploration and Findings

Peat water is a surface water source widely used by people in swampy and lowland areas, but it has poor quality characteristics such as high organic matter content, low pH, and dissolved metal levels such as iron that exceed the threshold. These conditions can cause health problems and reduce the quality of clean water so that effective treatment technology is needed. This study aims to analyze the effectiveness of ultrafiltration membranes made from chitosan from shrimp shell waste in rejecting iron (Fe) and organic substances in peat water, and to determine the effect of pressure on separation performance. This study …

Website: Home, Zhiqu Lu, Likun Zhang, Lei Cao

Gulf Research Program Data Sets

No abstract provided.