Statistical, Nonlinear, and Soft Matter Physics Commons^™

Quantifying Confinement Of Chain Dynamics For Chains Tethered To Self-Assembling Crystalline Nanodomains Using Neutron Spin Echo Spectroscopy, Logan Benninghoff

Williams Honors College, Honors Research Projects

Polyisobutylene (PIB) rubbers can be reinforced with crystalline β-alanine nanodomains. Progress has been made in understanding the morphology of the nanodomains, but the dynamics of the PIB molecule chains attached to the surface of the nanodomains and in the matrix are not well understood. It is possible to observe the motion of these PIB chains using Neutron Spin Echo (NSE) experiments, since the experimental technique can give data for smaller timescales. Data collection for reinforced rubber samples has already been performed, but the data still need to be analyzed. For my honors project I will be comparing the data to …

Exponential Random Graphs And A Generalization Of Parking Functions, Ryan Demuse

Electronic Theses and Dissertations

Random graphs are a powerful tool in the analysis of modern networks. Exponential random graph models provide a framework that allows one to encode desirable subgraph features directly into the probability measure. Using the theory of graph limits pioneered by Borgs et. al. as a foundation, we build upon the work of Chatterjee & Diaconis and Radin & Yin. We add complexity to the previously studied models by considering exponential random graph models with edge-weights coming from a generic distribution satisfying mild assumptions. In particular, we show that a large family of two-parameter, edge-weighted exponential random graphs display a phase …

Countering Internet Packet Classifiers To Improve User Online Privacy, Sina Fathi-Kazerooni

Dissertations

Internet traffic classification or packet classification is the act of classifying packets using the extracted statistical data from the transmitted packets on a computer network. Internet traffic classification is an essential tool for Internet service providers to manage network traffic, provide users with the intended quality of service (QoS), and perform surveillance. QoS measures prioritize a network's traffic type over other traffic based on preset criteria; for instance, it gives higher priority or bandwidth to video traffic over website browsing traffic. Internet packet classification methods are also used for automated intrusion detection. They analyze incoming traffic patterns and identify malicious …

Ultrafast Spin-Currents And Charge Conversion At 3d-5d Interfaces Probed By Time-Domain Terahertz Spectroscopy, T. H. Dang, J. Hawecker, E. Rongione, G. Baez Flores, D. Q. To, J. C. Rojas-Sanchez, H. Nong, J. Mangeney, J. Tignon, F. Godel, S. Collin, P. Seneor, M. Bibes, A. Fert, M. Anane, J. M. George, L. Vila, M. Cosset-Cheneau, D. Dolfi, R. Lebrun, P. Bortolotti, Kirill Belashchenko, S. Dhillon, H. Jaffrès

Kirill Belashchenko Publications

Spintronic structures are extensively investigated for their spin-orbit torque properties, required for magnetic commutation functionalities. Current progress in these materials is dependent on the interface engineering for the optimization of spin transmission. Here, we advance the analysis of ultrafast spin-charge conversion phenomena at ferromagnetic-Transition metal interfaces due to their inverse spin-Hall effect properties. In particular, the intrinsic inverse spin-Hall effect of Pt-based systems and extrinsic inverse spin-Hall effect of Au:W and Au:Ta in NiFe/Au:(W,Ta) bilayers are investigated. The spin-charge conversion is probed by complementary techniques-ultrafast THz time-domain spectroscopy in the dynamic regime for THz pulse emission and ferromagnetic resonance spin-pumping …

Useable Coarse-Grained Models For Semiconducting Polymers And Thermosets, Michael Montgomery Henry

Boise State University Theses and Dissertations

This work aims to inform the formulation and processing of polymer mixtures through the use of models that have minimally sufficient complexity. Models with minimal complexity are easier to develop, understand, explain, and extend, all of which underpin model validation, verification, and reproducibility.

We develop simplified models for two different material systems, semiconducting polymers and thermosets. With the relatively low cost of predicting morphologies enabled by these models, we investigate structure-property-processing relationships in record system sizes and combinatorial parameter spaces. The insight from these models lays the foundation for improving the efficiency of organic solar cells and air travel.

The …

Kinetic Monte Carlo Investigations Involving Atomic Layer Deposition Of Metal-Oxide Thinfilms, David Tyler Magness

Graduate Theses/Dissertations

Atomic Layer Deposition is a method of manufacturing thin film materials. Metal-oxides such as zinc-oxide and aluminum-oxide are particularly interesting candidates for use in microelectronic devices such as tunnel junction barriers, transistors, Schottky diodes, and more. By adopting a 3D Kinetic Monte Carlo model capable of simulating ZnO deposition, the effect of parameters including deposition temperature, chamber pressure, and composition of the initial substrate at the beginning of deposition can be investigated. This code generates two random numbers: One is used to select a chemical reaction to occur from a list of all possible reactions and the second is used …

Predicting The Hydration Free Energy Of Small Alkanes And Alcohols From Custom, Electronic Structure-Based Force Fields, T. Ryan Rogers

Graduate Theses and Dissertations

Mathematical theories reveal the fundamental physics involved in experimentalphenomena. Computer models of such theories are routinely used to corroborate or explain experiments and predict properties of chemical systems. Therefore, an important effort in computational chemistry is the development of more accurate and efficient chemical models. Current-generation models are only beginning to approach experimental-quality predictions of hydration free energies (HFEs).Using computations of quantum mechanical (QM) forces and classical simulations based on these forces, I investigate models to predict several properties of solutes and solutions. This dissertation is a collection of projects exemplifying methods used to gain insight into chemical systems.

Simulations …

Proximity-Induced Magnetization In Graphene: Towards Efficient Spin Gating, Mihovil Bosnar, Ivor Lončarić, P. Lazić, Kirill Belashchenko, Igor Žutić

Kirill Belashchenko Publications

Gate-tunable spin-dependent properties could be induced in graphene at room temperature through the magnetic proximity effect by placing it in contact with a metallic ferromagnet. Because strong chemical bonding with the metallic substrate makes gating ineffective, an intervening passivation layer is needed. Previously considered passivation layers result in a large shift of the Dirac point away from the Fermi level, so that unrealistically large gate fields are required to tune the spin polarization in graphene (Gr). We show that a monolayer of Au or Pt used as the passivation layer between Co and graphene brings the Dirac point closer to …

Mathematical Modelling Of Temperature Effects On The Afd Neuron Of Caenorhabditis Elegans, Zachary Mobille, Rosangela Follmann, Epaminondas Rosa

Annual Symposium on Biomathematics and Ecology Education and Research

No abstract provided.

Adsorption And Reconfiguration Of Amphiphiles At Silica-Water Interfaces: Role Of Electrostatic Interactions, Van Der Waals Forces And Hydrogen Bonds, Yao Wu

LSU Doctoral Dissertations

The ability to explore and predict metastable structures of hybrid self-assemblies is of central importance for the next generation of advanced materials with novel properties. As compared to their thermodynamically stable forms, the kinetically stabilized materials show improved functionality potentially over their stable counterparts. The self-assembly processes usually originate from weak intermolecular interactions, involving a dynamic competition between attractive and repulsive interactions. These weak forces, including van der Waals (vdW), electrostatic interaction and the hydrogen bonding (H-bonding), can be tuned by external stimuli, e.g., confinement, temperature and ionization, and consequently driving hybrid materials into different configurations. It is challenging to …

Detection Of Uncompensated Magnetization At The Interface Of An Epitaxial Antiferromagnetic Insulator, Pavel N. Lapa, Min Han Lee, Igor V. Roshchin, Kirill Belashchenko, Ivan K. Schuller

Kirill Belashchenko Publications

We have probed directly the temperature and magnetic field dependence of pinned uncompensated magnetization at the interface of antiferromagnetic FeF₂ with Cu, using FeF₂-Cu-Co spin valves. Electrons polarized by the Co layer are scattered by the pinned uncompensated moments at the FeF₂-Cu interface giving rise to giant magnetoresistance. We determined the direction and magnitude of the pinned uncompensated magnetization at different magnetic fields and temperatures using the angular dependencies of resistance. The strong FeF₂ anisotropy pins the uncompensated magnetization along the easy axis independent of the cooling field orientation. Most interestingly, magnetic fields as …

Reinvestigation Of The Intrinsic Magnetic Properties Of (Fe1-Xcox)2b Alloys And Crystallization Behavior Of Ribbons, Tej Nath Lamichhane, Olena Palasyuk, Vladimir P. Antropov, Ivan A. Zhuravlev, Kirill Belashchenko, Ikenna C. Nlebedim, Kevin W. Dennis, Anton Jesche, Matthew J. Kramer, Sergey L. Bud'ko, R. William Mccallum, Paul C. Canfield, Valentin Taufour

Kirill Belashchenko Publications

New determination of the magnetic anisotropy from single crystals of (Fe_1-xCo_x)2B alloys are presented. The anomalous temperature dependence of the anisotropy constant is discussed using the standard Callen-Callen theory, which is shown to be insufficient to explain the experimental results. A more material specific study using first-principles calculations with disordered moments approach gives a much more consistent interpretation of the experimental data. Since the intrinsic properties of the alloys with x=0.3-0.35 are promising for permanent magnets applications, initial investigation of the extrinsic properties are described, in particular the crystallization of melt spun ribbons with Cu, Al, …

An Accurate Solution Of The Self-Similar Orbit-Averaged Fokker-Planck Equation For Core-Collapsing Isotropic Globular Clusters: Properties And Application, Yuta Ito

Dissertations, Theses, and Capstone Projects

Hundreds of dense star clusters exist in almost all galaxies. Each cluster is composed of approximately ten thousand through ten million stars. The stars orbit in the clusters due to the clusters' self-gravity. Standard stellar dynamics expects that the clusters behave like collisionless self-gravitating systems on short time scales (~ million years) and the stars travel in smooth continuous orbits. Such clusters temporally settle to dynamically stable states or quasi-stationary states (QSS). Two fundamental QSS models are the isothermal- and polytropic- spheres since they have similar structures to the actual core (central part) and halo (outskirt) of the clusters. The …

Semi-Lagrangian Implicit Bhatnagar-Gross-Krook Collision Model For The Finite-Volume Discrete Boltzmann Method, Leitao Chen, Sauro Succi, Xiaofeng Cai, Laura Schaefer

Publications

In order to increase the accuracy of temporal solutions, reduce the computational cost of time marching, and improve the stability associated with collisions for the finite-volume discrete Boltzmann method, an advanced implicit Bhatnagar-Gross-Krook (BGK) collision model using a semi-Lagrangian approach is proposed in this paper. Unlike existing models, in which the implicit BGK collision is resolved either by a temporal extrapolation or by a variable transformation, the proposed model removes the implicitness by tracing the particle distribution functions (PDFs) back in time along their characteristic paths during the collision process. An interpolation scheme is needed to evaluate the PDFs at …

Emergence, Mechanics, And Development: How Behavior And Geometry Underlie Cowrie Seashell Form, Michael G. Levy, Michael R. Deweese

Biology and Medicine Through Mathematics Conference

No abstract provided.

Target Control Of Networked Systems, Isaac S. Klickstein

Mechanical Engineering ETDs

The control of complex networks is an emerging field yet it has already garnered interest from across the scientific disciplines, from robotics to sociology. It has quickly been noticed that many of the classical techniques from controls engineering, while applicable, are not as illuminating as they were for single systems of relatively small dimension. Instead, properties borrowed from graph theory provide equivalent but more practical conditions to guarantee controllability, reachability, observability, and other typical properties of interest to the controls engineer when dealing with large networked systems. This manuscript covers three topics investigated in detail by the author: (i) the …

Introduction To Molecular Dynamics Simulations, Katharina Vollmayr-Lee

Faculty Journal Articles

We provide an introduction to molecular dynamics simulations in the context of the Kob–Andersen model of a glass. We introduce a complete set of tools for doing and analyzing the results of simulations at fixed NVE and NVT. The modular format of the paper allows readers to select sections that meet their needs. We start with an introduction to molecular dynamics independent of the programming language, followed by introductions to an implementation using PYTHON and then the freely available open source software package LAMMPS. We also describe analysis tools for the quick testing of the program during its development and …

Numerical Simulation Of The Trapping Reaction With Mobile And Reacting Traps, Joshua D. Hellerick, Robert C. Rhoades, Benjamin Vollmayr-Lee

Faculty Journal Articles

We study a variation of the trapping reaction, A+B→A, in which both the traps (A) and the particles (B) undergo diffusion, and the traps upon meeting react according to A+A→0 or A. This two-species reaction-diffusion system is known to exhibit a nontrivial decay exponent for the B particles, and recently renormalization group methods have predicted an anomalous dimension in the BB correlation function. To test these predictions, we develop a computer simulation method, motivated by the technique of Mehra and Grassberger [Phys. Rev. E 65, 050101(R) (2002)], that determines the complete probability distribution of the B particles …

Questaal: A Package Of Electronic Structure Methods Based On The Linear Muffin-Tin Orbital Technique, Dimitar Pashov, Swagata Acharya, Walter R.L. Lambrecht, Jerome Jackson, Kirill Belashchenko, Athanasios Chantis, Francois Jamet, Mark Van Schilfgaarde

Kirill Belashchenko Publications

This paper summarises the theory and functionality behind Questaal, an open-source suite of codes for calculating the electronic structure and related properties of materials from first principles. The formalism of the linearised muffin-tin orbital (LMTO) method is revisited in detail and developed further by the introduction of short-ranged tight-binding basis functions for full-potential calculations. The LMTO method is presented in both Green's function and wave function formulations for bulk and layered systems. The suite's full-potential LMTO code uses a sophisticated basis and augmentation method that allows an efficient and precise solution to the band problem at different levels of theory, …

Thermodynamic Properties Of Transverse Field Quantum Ising Model Using Tensor Network Formalism, Sin Yang Pang

Student Works (2020-2029)

Ising model has been successful in describing ferromagnetism and its phase transition to paramagnet. At the critical point, the free energy density function and its derivatives diverge. Their behaviour near the critical point are described by power-laws with associated critical exponents. In many cases, the critical exponents can be determined from analytic solutions via conventional renormalization groups methods or from Monte Carlo simulations. However, for quantum many-body systems, very few are tractable to analytical solutions. The quantum many-body wavefunction belongs to large dimensional Hilbert space that increases exponentially with system size. If the Hamiltonian is gapped and only local interaction …