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Articles 1 - 4 of 4
Full-Text Articles in Other Materials Science and Engineering
First-Principles Studies Of Structure-Property Relationships: Enabling Design Of Functional Materials, Qunfei Zhou
First-Principles Studies Of Structure-Property Relationships: Enabling Design Of Functional Materials, Qunfei Zhou
Theses and Dissertations--Chemical and Materials Engineering
First-principles calculations based on quantum mechanics have been proved to be powerful for accurately regenerating experimental results, uncovering underlying myths of experimental phenomena, and accelerating the design of innovative materials. This work has been motivated by the demand to design next-generation thermionic emitting cathodes and techniques to allow for synthesis of photo-responsive polymers on complex surfaces with controlled thickness and patterns. For Os-coated tungsten thermionic dispenser cathodes, we used first-principles methods to explore the bulk and surface properties of W-Os alloys in order to explain the previously observed experimental phenomena that thermionic emission varies significantly with W-Os alloy composition. Meanwhile, …
Improving The Capacity, Durability And Stability Of Lithium-Ion Batteries By Interphase Engineering, Qinglin Zhang
Improving The Capacity, Durability And Stability Of Lithium-Ion Batteries By Interphase Engineering, Qinglin Zhang
Theses and Dissertations--Chemical and Materials Engineering
This dissertation is focus on the study of solid-electrolyte interphases (SEIs) on advanced lithium ion battery (LIB) anodes. The purposes of this dissertation are to a) develop a methodology to study the properties of SEIs; and b) provide guidelines for designing engineered SEIs. The general knowledge gained through this research will be beneficial for the entire battery research community.
Three-Dimensional Microstructural Effects On Multi-Site Fatigue Crack Nucleation Behaviors Of High Strength Aluminum Alloys, Yan Jin
Theses and Dissertations--Chemical and Materials Engineering
An experimental method was further developed to quantify the anisotropy of multi-site fatigue crack initiation behaviors in high strength Al alloys by four-point bend fatigue testing under stress control. In this method, fatigue crack initiation sites (fatigue weak-links, FWLs) were measured on the sample surface at different cyclic stress levels. The FWL density in an alloy could be best described using a three-parameter Weibull function of stress, though other types of sigmoidal functions might also be used to quantify the relationship between FWL density and stress. The strength distribution of the FWLs was derived from the Weibull function determined by …
Understanding Electrical Conduction In Lithium Ion Batteries Through Multi-Scale Modeling, Jie Pan
Understanding Electrical Conduction In Lithium Ion Batteries Through Multi-Scale Modeling, Jie Pan
Theses and Dissertations--Chemical and Materials Engineering
Silicon (Si) has been considered as a promising negative electrode material for lithium ion batteries (LIBs) because of its high theoretical capacity, low discharge voltage, and low cost. However, the utilization of Si electrode has been hampered by problems such as slow ionic transport, large stress/strain generation, and unstable solid electrolyte interphase (SEI). These problems severely influence the performance and cycle life of Si electrodes. In general, ionic conduction determines the rate performance of the electrode, while electron leakage through the SEI causes electrolyte decomposition and, thus, causes capacity loss. The goal of this thesis research is to design Si …