Engineering Science and Materials Commons^™

Study Of Thermoelectric And Lattice Dynamics Properties Of 2d Layered Mx (M = Sn, Pb; X = S, Se, Te) And Zrs2 Compounds Using First-Principles Approach, Abhiyan Pandit

Graduate Theses and Dissertations

The aim of this dissertation is the investigation of thermoelectric and lattice dynamics properties of two-dimensional (2D) MX (M = Sn, Pb; X = S, Se, Te) and ZrS2 compounds based on the first-principles density functional theory. The dimensionality reduction (e.g., using 2D structure) of bulk materials is found to have enhanced thermoelectric efficiency. This enhancement is attributed to the increase of the Seebeck coefficient as a result of higher electronic density of states near the Fermi level in low-dimensional materials. In addition, lowering the dimensionality increases phonon scattering near interfaces and surfaces in 2D materials, which leads to a …

Study Of Static And Dynamical Properties Of Complex Antiferroelectrics Materials, Kinnary Yogeshbhai Patel

Graduate Theses and Dissertations

The aim of this dissertation is the investigation of the static and dynamical properties of the complex antiferroelectric materials using Effective Hamiltonian method and First principles calculations. In chapter 3, a novel elemental interatomic coupling in perovskite materials which bilinearly couples the antiferroelectric displacements of cations with the rotations of the oxygen octahedra. This new coupling explains a very complex crystal structure of prototypical antiferroelectric PbZrO3. My explanation provides a unified description of many other complex antipolar crystal structures in variety of perovskite materials, including the occurrence of incommensurate phases in some of them. In chapter 4, results and analysis …

Design And Control Of A Peristaltic Pump To Simulate Left Atrial Pressure In A Conductive Silicone Model, Jeremy Collins

Mechanical Engineering Undergraduate Honors Theses

According to the CDC, atrial fibrillation is responsible for more than 454,000 hospitalizations and approximately 158,000 deaths per year. A common treatment for atrial fibrillation is catheter ablation, a process in which a long flexible tube is guided through the femoral artery and to the source of arrhythmia in the heart, where it measures the electrical potential at various locations and converts problematic heart tissue to scar tissue via ablation. This paper details the design and control of a low-cost ($400) peristaltic pump system using repetitive control to replicate blood pressure in the left atrium in a conductive silicone model …

Lecture 00: Opening Remarks: 46th Spring Lecture Series, Tulin Kaman

Mathematical Sciences Spring Lecture Series

Opening remarks for the 46th Annual Mathematical Sciences Spring Lecture Series at the University of Arkansas, Fayetteville.

Predicting The Mechanical Properties Of Nanocomposites Reinforced With 1-D, 2-D And 3-D Nanomaterials, Scott Edward Muller

Graduate Theses and Dissertations

Materials with features at the nanoscale can provide unique mechanical properties and increased functionality when included as part of a nanocomposite. This dissertation utilizes computational methods at multiple scales, including molecular dynamics (MD) and density functional theory (DFT), and the coupled atomistic and discrete dislocation multiscale method (CADD), to predict the mechanical properties of nanocomposites possessing nanomaterials that are either 1-D (carbyne chains), 2-D (graphene sheets), or 3-D (Al/amorphous-Si core-shell nanorod).

The MD method is used to model Ni-graphene nanocomposites. The strength of a Ni-graphene nanocomposite is found to improve by increasing the gap between the graphene sheet and a …

Kinetic Energy Investigation, Mike Jackson

High School Lesson Plans

Students will build a mouse trap powered car that converts elastic potential energy contained in the trap’s spring to linear kinetic energy of the car. The release of this energy results in a net force which leads to linear acceleration. This acceleration can be measured with Vernier Logger Pro®, and using Newton’s Second Law of Motion, the net force can be calculated. Finally, using the concept of work, the final kinetic energy of the car can be calculated. Once students become familiar with the calculation of work and energy, the teacher will challenge the students to modify their cars to …

Dynamical Properties Of Ferroelectric Perovskites (Ba,Sr)Tio3 And Pb(Zr,Ti)O3 Systems From First Principles, Jeevaka Weerasinghe

Graduate Theses and Dissertations

A first-principles-based effective Hamiltonian scheme which incorporates coupling between ferroelectric (FE) and antiferrodistortive (AFD) motions is applied to Pb(Zr,Ti)O₃ alloys. It validates the existence of two modes of E symmetry (rather than the single E(1TO) soft mode) in the 50-75 cm^-1 range for temperatures smaller than 200 K and for compositions falling within the Rhombohedral R3c phase. Coupling between long-range-ordered FE and AFD motions is shown to be the cause of the additional mode and more insight into its nature is provided. This scheme is further used to reveal a field-induced anticrossing involving FE and AFD degrees of …

Molecular Dynamics Study Of Diffusion Of O2 Penetrates In Uncrosslinked Polydimethysiloxane (Pdms), Crosslinked Pdms, And Pdms-Based Nanocomposites, Varun Ullal

Graduate Theses and Dissertations

Molecular dynamics simulations are used to study diffusion of O₂ molecules in pure polydimethysiloxane (PDMS), crosslinked PDMS, and PDMS-based nanocomposites. The PDMS chains and penetrates are modeled using a hybrid interatomic potential which treats the Si-O atoms along the chain backbone explicitly while coarse-graining the methyl side groups and penetrates. By tracking the diffusion of penetrates in the system and subsequently computing their mean-squared displacement, diffusion coefficients are obtained. In pure PDMS models of varying molecular weight, diffusivity of the O₂2 penetrates is found to have an inverse relationship with chain length. Simulation models with longer chains …

Application Of Machine Learning Principles To Modeling Of Nonlinear Dynamic Systems, Murray R. Clark

Journal of the Arkansas Academy of Science

A method for the development of mathematical models for dynamic systems with arbitrary nonlinearities from measured data is described. The method involves the use of neural networks as embedded processors in dynamic system simulation models. The technique is demonstrated through generation of models for anharmonic oscillators described by the Duffing Equation and the Van der Pol Equation from measured input/output data. It is shown that high quality models of these systems can be developed using this technique which are efficient in terms of model size. Using neural networks as embedded processors, accurate models of the Duffing Oscillator and the Van …