Partial Differential Equations Commons^™

Meshless Discrete Velocity Boltzmann Model For Porous Media Flow, Amandine Maidenberg

Doctoral Dissertations and Master's Theses

This dissertation explores the combination of two sophisticated techniques for addressing computational fluid dynamics: the discrete velocity Boltzmann equation (DVBE) and the localized collocation meshless model with upwinding (U-LCMM). The DVBE is a high-level model that describes the foundations of transport phenomena by addressing the microscale motions of particles themselves and the effect of their aggregate behaviors on continuum principles. This equation integrates multiple scales of phenomena; while it can be used for fluid flow at Navier-Stokes scales, it can also resolve fine features that can only be described at the molecular level. This type of model is necessary for …

Investigation Of Space Charge Effects On Co2 Electrocatalytic Reduction On Gd-Doped Ceria Via Scanning Kelvin Probe And Model-Based Bayesian Analysis, Alejandro Mejia

Graduate Theses, Dissertations, and Problem Reports (ETD)

In studying novel energy conversion and storage systems, such as high-temperature electrolysis, numerous underlying fundamental physical processes remain unclear or inadequately understood. Among these, the modeling and comprehension of surface reaction mechanisms, coupled with the intricate effects of space‑charge interfaces, remains an unclear and challenging area of research.

The work of this dissertation involves the development of a 2D finite element analysis model, leveraging the robust MOOSE framework from INL. This model, featuring inhomogeneous defect thermodynamics for near-surface chemistry, formulated through Poisson‑Cahn variational theory, has been exploited for studying the electrocatalytic reduction of CO₂ on gadolinia doped ceria. The …

Mathematical Modeling Of Coupled Heat And Mass Transfer In Metal-Hydride Hydrogen Storage Systems, Muhammad Hasnain

College of Graduate Studies: Theses & Dissertations

As a promising clean energy carrier hydrogen has recently gained significant interest, but its efficient and safe storage is a major challenge. Compared to the gaseous state and liquid state, metal hydrides (MH) offer a potentially more effective storage approach for hydrogen. However, the main challenge in this approach is the low thermal conductivity of the MH bed that leads to low heat transfer and ultimately to higher charging and discharging times. The purpose of this work is to develop an in-house comprehensive heat and mass transfer model for hydrogen sorption in MH reactors to simulate the dynamic behavior of …

Numerical Modeling Of Thermal Runaway In Lithium-Ion Batteries Using Decomposition Kinetics And Inter-Cell Contact Resistance, Shehzad Khan

College of Graduate Studies: Theses & Dissertations

Lithium-ion batteries (LIBs) are central in numerous high-demand applications due to their high energy density and prolonged cycle life. Despite these advantages, their susceptibility to thermal runaway (TR) poses a significant safety risk, with the potential for catastrophic failures. This study focuses on the thermal behavior of prismatic lithium-ion cells, using a finite volume-based partial differential equation (PDE) solver developed in MATLAB and JULIA to model TR behavior. This solver accurately simulates transient behaviors, convection, diffusion, and source terms across various coordinate systems. By engaging in a series of increasing complex case studies, this research aims to identify the critical …

Computational Modeling Using A Novel Continuum Approach Coupled With Pathway-Informed Neural Networks To Optimize Dynein-Mediated Centrosome Positioning In Polarized Cells, Arkaprovo Ghosal, Padmanabhan Seshaiyar Dr., Adriana Dawes Dr., General Genomics Inc.

Annual Symposium on Biomathematics and Ecology Education and Research

No abstract provided.

A New Mathematical Theory For The Dynamics Of Large Tumor Populations, A Potential Mechanism For Cancer Dormancy & Recurrence And Experimental Observation Of Melanoma Progression In Zebrafish, Adeyinka A. Lesi

Dissertations and Theses

Cancer, a family of over a hundred disease varieties, results in 600,000 deaths in the U.S. alone. Yet, improvements in imaging technology to detect disease earlier, pharmaceutical developments to shrink or eliminate tumors, and modeling of biological interactions to guide treatment have prevented millions of deaths. Cancer patients with initially similar disease can experience vastly different outcomes, including sustained recovery, refractory disease or, remarkably, recurrence years after apparently successful treatment. The current understanding of such recurrences is that they depend on the random occurrence of critical mutations. Clearly, these biological changes appear to be sufficient for recurrence, but are they …

Investigating The Solution Properties Of Population Model Of Cross-Diffusion Model With Double Nonlinearity And With Variable Density, Dildora Kabilovna Muhamediyeva

Chemical Technology, Control and Management

The models of two competing populations with double nonlinear diffusion and three types of functional dependencies are considered. The first dependence corresponds to the Malthusian type, the second to the Verhühlst type (logistic population), and the third to Olli-type populations. A common element of this kind of description is the presence of a linear source. Nonlinear sinks are also present in descriptions of populations of the Verhulst and Ollie type. Suitable initial approximations for a rapidly converging iterative process are proposed. Based on a self-similar analysis and comparison of the solutions of the Cauchy problem in the domain for an …

An Application Of M-Matrices To Preserve Bounded Positive Solutions To The Evolution Equations Of Biofilm Models, Richard S. Landry Jr.

LSU New Orleans Theses and Dissertations

In this work, we design a linear, two step implicit finite difference method to approximate the solutions of a biological system that describes the interaction between a microbial colony and a surrounding substrate. Three separate models are analyzed, all of which can be described as systems of partial differential equations (PDE)s with nonlinear diffusion and reaction, where the biological colony grows and decays based on the substrate bioavailability. The systems under investigation are all complex models describing the dynamics of biological films. In view of the difficulties to calculate analytical solutions of the models, we design here a numerical technique …

Shear Driven Micro-Fluidic Pump For Cardiovascular Applications, Nihad E. Daidzic

Aviation Department Publications

A valveless shear-driven micro-fluidic pump design (SDMFP) for hemodynamic applications is presented in this work. One of the possible medical and biomedical applications is in-vivo hemodynamic (human blood circulation) support/assist. One or more SDMFPs can be inserted/implanted into vascular lumens in a form of a stent/duct in series and/or in parallel (bypass duct) to support blood circulation in-vivo. A comprehensive review of various micro-pump designs up to about mid 2000’s is given in [1,2]. Many of micropump designs considered are not suitable for in-vivo or even in-vitro medical/biomedical applications.

Operating principles, design, and SDMFP features are given in [3]. A …

A Soft Condensed Matter Approach Towards Mathematical Modelling Of Mass Transport And Swelling In Food Grains, Michael Chapwanya, N. Misra

Articles

Soft condensed matter (SCM) physics has recently gained importance for a large class of engineering materials. The treatment of food materials from a soft matter perspective, however, is only at the surface and is gaining importance for understanding the complex phenomena and structure of foods. In this work, we present a theoretical treatment of navy beans from a SCM perspective to describe the hydration kinetics. We solve the transport equations within a porous matrix and employ the Flory–Huggin’s equation for polymer–solvent mixture to balance the osmotic pressure. The swelling of the legume seed is modelled as a moving boundary with …

Controlling Nanoparticles Formation In Molten Metallic Bilayers By Pulsed-Laser Interference Heating, Mikhail Khenner, Sagar Yadavali, Ramki Kalyanaraman

Mathematics Faculty Publications

The impacts of the two-beam interference heating on the number of core-shell and embedded nanoparticles and on nanostructure coarsening are studied numerically based on the non-linear dynamical model for dewetting of the pulsed-laser irradiated, thin (< 20 nm) metallic bilayers. The model incorporates thermocapillary forces and disjoining pressures, and assumes dewetting from the optically transparent substrate atop of the reflective support layer, which results in the complicated dependence of light reflectivity and absorption on the thicknesses of the layers. Stabilizing thermocapillary effect is due to the local thickness-dependent, steady- state temperature profile in the liquid, which is derived based on the mean substrate temperature estimated from the elaborate thermal model of transient heating and melting/freezing. Linear stability analysis of the model equations set for Ag/Co bilayer predicts the dewetting length scales in the qualitative agreement with experiment.

Formation Of Organized Nanostructures From Unstable Bilayers Of Thin Metallic Liquids, Mikhail Khenner, Sagar Yadavali, Ramki Kalyanaraman

Mathematics Faculty Publications

Dewetting of pulsed-laser irradiated, thin (< 20 nm), optically reflective metallic bilayers on an optically transparent substrate with a reflective support layer is studied within the lubrication equations model. A steady-state bilayer film thickness (h) dependent temperature profile is derived based on the mean substrate temperature estimated from the elaborate thermal model of transient heating and melting/freezing. Large thermocapillary forces are observed along the plane of the liquid-liquid and liquid-gas interfaces due to this h-dependent temperature, which, in turn, is strongly influenced by the h-dependent laser light reflection and absorption. Consequently the dewetting is a result of the competition between thermocapillary and intermolecular forces. A linear analysis of the dewetting length scales established that the non-isothermal calculations better predict the experimental results as compared to the isothermal case within the bounding Hamaker coefficients. Subsequently, a computational non-linear dynamics study of the dewetting pathway was performed for Ag/Co and Co/Ag bilayer systems to predict the morphology evolution. We found that the systems evolve towards formation of different morphologies, including core-shell, embedded, or stacked nanostructure morphologies.

Modeling Diverse Physics Of Nanoparticle Self-Assembly In Pulsed Laser-Irradiated Metallic Films, Mikhail Khenner

Mathematics Faculty Publications

Presents physics behind dewetting of thin liquid films and mathematical/computational modeling tools (Educational/Research presentation for senior physics majors).

Stability Of A Strongly Anisotropic Thin Epitaxial Film In A Wetting Interaction With Elastic Substrate, Mikhail Khenner, Wondimu T. Tekalign, Margo S. Levine

Mathematics Faculty Publications

The linear dispersion relation for longwave surface perturbations, as derived by Levine et al. Phys. Rev. B 75, 205312 (2007) is extended to include a smooth surface energy anisotropy function with a variable anisotropy strength (from weak to strong, such that sharp corners and slightly curved facets occur on the corresponding Wulff shape). Through detailed parametric studies it is shown that a combination of a wetting interaction and strong anisotropy, and even a wetting interaction alone results in complicated linear stability characteristics of strained and unstrained films.

Stability Of A Strongly Anisotropic Thin Epitaxial Film In A Wetting Interaction With Elastic Substrate, Mikhail Khenner, Wondimu Tekalign, Margo Levine

Mathematics Faculty Publications

The linear dispersion relation for longwave surface perturbations, as derived by Levine et al. Phys. Rev. B 75, 205312 (2007) is extended to include a smooth surface energy anisotropy function with a variable anisotropy strength (from weak to strong, such that sharp corners and slightly curved facets occur on the corresponding Wulff shape). Through detailed parametric studies it is shown that a combination of a wetting interaction and strong anisotropy, and even a wetting interaction alone results in complicated linear stability characteristics of strained and unstrained films.

Morphological Evolution Of Single-Crystal Ultrathin Solid Films, Mikhail Khenner

Mathematics Faculty Publications

An introduction to mathematical modeling of ultrathin solid films and the role of such modeling in nanotechnologies: Educational presentation for senior physics majors

Morphological Evolution Of Single-Crystal Ultrathin Solid Films, Mikhail Khenner

Mathematics Faculty Publications

An introduction to mathematical modeling of ultrathin solid films and the role of such modeling in nanotechnologies: Educational/Research presentation for senior physics majors

Oscillatory And Monotonic Modes Of Long-Wave Marangoni Convection In A Thin Film, Sergey Shklyaev, Mikhail Khenner, Alexei Alabuzhev

Mathematics Faculty Publications

We study long-wave Marangoni convection in a layer heated from below. Using the scaling k=O Bi, where k is the wave number and Bi is the Biot number, we derive a set of amplitude equations. Analysis of this set shows presence of monotonic and oscillatory modes of instability. Oscillatory mode has not been previously found for such direction of heating. Studies of weakly nonlinear dynamics demonstrate that stable steady and oscillatory patterns can be found near the stability threshold.

Oscillatory And Monotonic Modes Of Long-Wave Marangoni Convection In A Thin Film, Sergey Shklyaev, Mikhail Khenner, Alexei Alabuzhev

Mathematics Faculty Publications

We study long-wave Marangoni convection in a layer heated from below. Using the scaling k=O Bi, where k is the wave number and Bi is the Biot number, we derive a set of amplitude equations. Analysis of this set shows presence of monotonic and oscillatory modes of instability. Oscillatory mode has not been previously found for such direction of heating. Studies of weakly nonlinear dynamics demonstrate that stable steady and oscillatory patterns can be found near the stability threshold.

Thermocapillary Effects In Driven Dewetting And Self-Assembly Of Pulsed Laser-Irradiated Metallic Films, Mikhail Khenner

Mathematics Faculty Publications

A mathematical model for the evolution of pulsed laser-irradiated, molten metallic films has been developed using the lubrication theory. The heat transfer problem that incorporates the absorbed heat from a single laser beam or the interfering laser beams is solved analytically. Using this temperature field, we derive the 3D long-wave evolution PDE for the film height. To get insights into dynamics of dewetting, we study the 2D version of the evolution equation by means of a linear stability analysis and by numerical simulations. The stabilizing and destabilizing effects of various system parameters, such as the reflectivity, the peak laser beam …

Thermocapillary Effects In Driven Dewetting And Self-Assembly Of Pulsed Laser-Irradiated Metallic Films, Mikhail Khenner

Mathematics Faculty Publications

A mathematical model for the evolution of pulsed laser-irradiated, molten metallic films has been developed using the lubrication theory. The heat transfer problem that incorporates the absorbed heat from a single laser beam or the interfering laser beams is solved analytically. Using this temperature field, we derive the 3D long-wave evolution PDE for the film height. To get insights into dynamics of dewetting, we study the 2D version of the evolution equation by means of a linear stability analysis and by numerical simulations. The stabilizing and destabilizing effects of various system parameters, such as the reflectivity, the peak laser beam …

Thermocapillary Effects In Driven Dewetting And Self-Assembly Of Pulsed Laser-Irradiated Metallic Films, Mikhail Khenner

Mathematics Faculty Publications

A mathematical model for the evolution of pulsed laser-irradiated, molten metallic films has been developed using the lubrication theory. The heat transfer problem that incorporates the absorbed heat from a single laser beam or the interfering laser beams is solved analytically. Using this temperature field, we derive the 3D long-wave evolution PDE for the film height. To get insights into dynamics of dewetting, we study the 2D version of the evolution equation by means of a linear stability analysis and by numerical simulations. The stabilizing and destabilizing effects of various system parameters, such as the reflectivity, the peak laser beam …

Thermocapillary Effects In Driven Dewetting And Self-Assembly Of Pulsed Laser-Irradiated Metallic Films, Agegnehu Atena, Mikhail Khenner

Mathematics Faculty Publications

In this paper the lubrication-type dynamical model is developed of a molten, pulsed laser-irradiated metallic film. The heat transfer problem that incorporates the absorbed heat from a single beam or interfering beams is solved analytically. Using this temperature field, we derive the 3D long-wave evolution PDE for the film height. To get insights into dynamics of dewetting, we study the 2D version of the evolution equation by means of a linear stability analysis and by numerical simulations. The stabilizing and destabilizing effects of various system parameters, such as the peak laser beam intensity, the film optical thickness, the Biot and …

Thermocapillary Effects In Driven Dewetting And Self-Assembly Of Pulsed Laser-Irradiated Metallic Films, Agegnehu Atena, Mikhail Khenner

Mathematics Faculty Publications

In this paper the lubrication-type dynamical model is developed of a molten, pulsed laser-irradiated metallic film. The heat transfer problem that incorporates the absorbed heat from a single beam or interfering beams is solved analytically. Using this temperature field, we derive the 3D long-wave evolution PDE for the film height. To get insights into dynamics of dewetting, we study the 2D version of the evolution equation by means of a linear stability analysis and by numerical simulations. The stabilizing and destabilizing effects of various system parameters, such as the peak laser beam intensity, the film optical thickness, the Biot and …

Morphologies And Kinetics Of A Dewetting Ultrathin Solid Film, Mikhail Khenner

Mathematics Faculty Publications

The surface evolution model based on geometric partial differential equation is used to numerically study the kinetics of dewetting and dynamic morphologies for the localized pinhole defect in the surface of the ultrathin solid film with the strongly anisotropic surface energy. Depending on parameters such as the initial depth and width of the pinole, the strength of the attractive substrate potential and the strength of the surface energy anisotropy, the pinhole may either extend to the substrate and thus rupture the film, or evolve to the quasiequilibrium shape while the rest of the film surface undergoes phase separation into a …

Enhanced Stability Of A Dewetting Thin Liquid Film In A Single-Frequency Vibration Field, Mikhail Khenner

Mathematics Faculty Publications

Dynamics of a thin dewetting liquid film on a vertically oscillating substrate is considered. We assume moderate vibration frequency and large (compared to the mean film thickness) vibration amplitude. Using the lubrication approximation and the averaging method, we formulate the coupled sets of equations governing the pulsatile and the averaged fluid flows in the film, and then derive the nonlinear amplitude equation for the averaged film thickness. We show that there exists a window in the frequency-amplitude domain where the parametric and shear-flow instabilities of the pulsatile flow do not emerge. As a consequence, in this window the averaged description …

Enhanced Stability Of A Dewetting Thin Liquid Film In A Single-Frequency Vibration Field, Sergey Shklyaev, Mikhail Khenner, Alexei Alabuzhev

Mathematics Faculty Publications

Dynamics of a thin dewetting liquid film on a vertically oscillating substrate is considered. We assume moderate vibration frequency and large (compared to the mean film thickness) vibration amplitude. Using the lubrication approximation and the averaging method, we formulate the coupled sets of equations governing the pulsatile and the averaged fluid flows in the film, and then derive the nonlinear amplitude equation for the averaged film thickness. We show that there exists a window in the frequency-amplitude domain where the parametric and shear-flow instabilities of the pulsatile flow do not emerge. As a consequence, in this window the averaged description …

Enhanced Stability Of A Dewetting Thin Liquid Film In A Single-Frequency Vibration Field, Sergey Shklyaev, Mikhail Khenner, Alexei Alabuzhev

Mathematics Faculty Publications

Dynamics of a thin dewetting liquid film on a vertically oscillating substrate is considered. We assume moderate vibration frequency and large (compared to the mean film thickness) vibration amplitude. Using the lubrication approximation and the averaging method, we formulate the coupled sets of equations governing the pulsatile and the averaged fluid flows in the film, and then derive the nonlinear amplitude equation for the averaged film thickness. We show that there exists a window in the frequency-amplitude domain where the parametric and shear-flow instabilities of the pulsatile flow do not emerge. As a consequence, in this window the averaged description …

Morphologies And Kinetics Of A Dewetting Ultrathin Solid Film, Mikhail Khenner

Mathematics Faculty Publications

The surface evolution model based on geometric partial differential equation is used to numerically study the kinetics of dewetting and dynamic morphologies for the localized pinhole defect in the surface of the ultrathin solid film with the strongly anisotropic surface energy. Depending on parameters such as the initial depth and width of the pinole, the strength of the attractive substrate potential and the strength of the surface energy anisotropy, the pinhole may either extend to the substrate and thus rupture the film, or evolve to the quasiequilibrium shape while the rest of the film surface undergoes phase separation into a …

Droplet Evaporation And Deformations In An Amplitude Modulated Ultrasonic Field, Nihad E. Daidzic, Rene Stadler, Adrian Melling

Aviation Department Publications

The aim of the report presented is the measurements of droplet oscillations.