Digital Commons Network^™

Atomistic Structures And Transport Phenomena At Interfaces In Lithium Battery Materials, Akihide Kuwabara

Composites at Lake Louise (CALL 2015)

Lithium-ion batteries (LIBs) are widely used in mobile devices. Increasingly they are also being scaled up for use as energy-storage devices in hybrid vehicles and fully electric ones. All-solid-state LIBs are expected to be one of the candidates as next generation LIBs because the LIBs can realize higher energy density and safety without liquid electrolytes. In these devices, the solid-solid interfaces, specifically those between electrodes and an electrolyte and grain boundaries within each component, are thought to strongly affect the battery performance. Despite their clear scientific and technical importance, however, so far, few studies have focused on the internal interfaces …

Thermodynamics Of Migration In Polymers: Can Contamination From Materials In Contact Be Predicted, Controlled And Possibly Avoided?, Olivier Vitrac, Phuong Nguyen

Single-Use Technologies: Bridging Polymer Science to Biotechnology Applications

The contamination from materials is coined as “migration” and refers to a combination of various mass transfer mechanisms under thermodynamic control: molecular or mutual diffusion, sorption and desorption phenomena linear with concentration or not. The contamination pathways are particularly complicated when they involve several components or steps and strong interactions between materials and the medium in contact. They have been studied and mathematically described with two possible purposes: i) simplified approaches with a goal of overestimating the real contamination and ii) more sophisticated approaches to optimize the design of polymer materials, packaging materials or to redesign plastic additives with lower …

Carbon Dioxide Sorption In A Nanoporous Octahedral Molecular Sieve, Izaak Williamson, Eric B. Nelson, Lan Li

Materials Science and Engineering Faculty Publications and Presentations

We have performed first-principles density functional theory calculations, incorporated with van der Waals interactions, to study CO₂ adsorption and diffusion in nanoporous solid – OMS-2 (Octahedral Molecular Sieve). We found the charge, type, and mobility of a cation, accommodated in a porous OMS-2 material for structural stability, can affect not only the OMS-2 structural features but also CO₂ sorption performance. This paper targets K⁺, Na⁺, and Ba²⁺ cations. First-principles energetics and electronic structure calculations indicate that Ba²⁺ has the strongest interaction with the OMS-2 porous surface due to valence electrons donation to …

Thermodynamic And Kinetic Simulation Of Transient Liquid-Phase Bonding, Brad Allen Lindner

Theses and Dissertations

ABSTRACT

THERMODYNAMIC AND KINETIC SIMULATION OF TRANSIENT LIQUID-PHASE BONDING

by

Brad Lindner

The University of Wisconsin-Milwaukee, 2015

Under the Supervision of Professor Benjamin C. Church

The use of numeric computational methods for the simulation of materials systems is becoming more prevalent and an understanding of these tools may soon be a necessity for Materials Engineers and Scientists. The applicability of numerical simulation methods to transient liquid-phase (TLP) bonding is evaluated using a type 316L/MBF-51 material system. The comparisons involve the calculation of bulk diffusivities, tracking of interface positions during dissolution, widening, and isothermal solidification stages, as well as comparison of …

New Screening Methodology For Selection Of Polymeric Materials For Transdermal Drug Delivery Devices, Roberto P. Falcone

Dissertations

As medical advances extend the human lifespan, the level of chronic illnesses will increase and thus straining the needs of the health care system that, as a result, governments will need to balance expenses without upsetting national budgets.

Therefore, the selection of a precise and affordable drug delivery technology is seen as the most practical solution for governments, health care professionals, and consumers.

Transdermal drug delivery patches (TDDP) are one of the best economical technologies that are favored by pharmaceutical companies and physicians alike because it offers fewer complications when compared to other delivery technologies. TDDP provides increased efficiency, safety …

Ion Implantation In Zno : Defect Interaction And Impurity Diffusion, Faisal Yaqoob

Legacy Theses & Dissertations (2009 - 2024)

In the first part of this research we studied the entropy changes in diffusion prefactor and its