Mechanical Engineering Commons^™

Development Of Novel Battery Materials For Lithium-Ion Batteries And Beyond, Jiyu Cai

Graduate Theses and Dissertations

As fossil fuels are depleting and causing environmental issues, it becomes imperative to widely implement renewable energies (e.g., solar and wind power). In this context, electrical energy storage (EES) systems are essential to accommodate the intermittent supply and uneven distribution of renewable energies. To this end, high-energy-density EES devices are highly demanded, such as rechargeable batteries. This dissertation presents my efforts in developing novel battery materials for lithium-ion batteries (LIBs), sodium-ion batteries (SIBs), and solidstate lithium batteries (SSLBs). These efforts include electrochemical evaluations of battery materials, surface modifications of electrodes via atomic layer deposition (ALD), and advanced characterizations of batteries …

Phase-Field Modeling Of The Polymer Membrane Formation Process For Micro- And Ultra-Filtration, Michael Rosario Cervellere

Graduate Theses and Dissertations

Porous polymer membrane filters are widely used in separation and filtration process. Micro- and ultra-filtration membranes are commonly used in biopharmaceutical applications such as filtering viruses and separating proteins from a carrier solution. The formation of these membrane filters via phase inversion is a complex and interconnected process where varying casting conditions can have a wide variety of effects on the final membrane morphol- ogy. Tailoring membrane filters for specific performance characteristics is a tedious and time consuming process. The time and length scales of membrane formation make it extremely difficult to experimentally observe membrane formation. Modeling the membrane formation …

Influence Of Extracellular Matrix Stiffness And Topography On Neuronal Cell Behavior And Neurite Outgrowth, Mohan Yasodharababu

Graduate Theses and Dissertations

The focus of regeneration therapy for traumatic brain injuries and Alzheimer's disease is on the promotion and growth of neuronal cells. In vitro research attempts to improve this by modifying the stiffness and topography of the extracellular matrix (ECM). However, the limitations of in vitro experiments make it difficult to control the individual factors influencing neuronal cell growth. A computational model can be used to decouple individual factors and study them individually to gain a better understanding of the mechanics between the neuronal cell and ECM, which will aid in the design of in vitro experimental studies.

This study develops …

Adhesion And Deformation Mechanisms Of Polydopamine And Polytetrafluoroethylene: A Multiscale Computational Study, Matthew Brownell

Graduate Theses and Dissertations

Polydopamine (PDA) has been shown to bond via covalent bonding, van der Waals forces, and hydrogen bonding and is known to adhere strongly to almost any material. The application of PDA between a substrate and a PTFE surface coating has resulted in low friction and a greatly reduced wear rate. Previous research probing the capabilities and limitations of PDA/PTFE films have studied the wear and mechanical properties of the film, but the overall adhesive and deformation mechanisms remain unclear.

In this research, we investigate the tribological properties of PDA and PTFE molecules and composites from the atomic to the microscale …

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 …

Comparative Study Of Power Semiconductor Devices In A Multilevel Cascaded H-Bridge Inverter, Kenneth Mordi

Graduate Theses and Dissertations

This thesis compares the performance of a nine-level transformerless cascaded H-bridge (CHB) inverter with integrated battery energy storage system (BESS) using SiC power MOSFETs and Si IGBTs. Two crucial performance drivers for inverter applications are power loss and efficiency. Both of these are investigated in this thesis. Power devices with similar voltage and current ratings are used in the same inverter topology, and the performance of each device is analyzed with respect to switching frequency and operating temperature. The loss measurements and characteristics within the inverter are discussed. The Saber® simulation software was used for the comparisons. The power MOSFET …

Traction-Separation Relationships For Hydrogen-Induced Grain Boundary Embrittlement In Nickel Via Molecular Dynamics Simulations, Wesley Allen Barrows

Graduate Theses and Dissertations

The deleterious effects of atomic and molecular hydrogen on the mechanical properties of metals have long been observed. Although several theories exist describing the mechanisms by which hydrogen negatively influences the failure of materials, a consensus has yet to be reached regarding the exact mechanism or combination of mechanisms. Two mechanisms have gained support in explaining hydrogen’s degradative role in non-hydride forming metals: hydrogen-enhanced localized plasticity and hydrogen-enhanced decohesion. Yet, the interplay between these mechanisms and microstructure in metallic materials has not been explained. Accordingly, for this thesis, the three main objectives are: (i) to develop a numerical methodology to …