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Moisture Effects On Visible Near-Infrared And Mid-Infrared Soil Spectra And Strategies To Mitigate The Impact For Predictive Modeling, Francis Hettige Chamika Anuradha Silva
Moisture Effects On Visible Near-Infrared And Mid-Infrared Soil Spectra And Strategies To Mitigate The Impact For Predictive Modeling, Francis Hettige Chamika Anuradha Silva
Theses and Dissertations
Instrumental disparities and soil moisture are two of the key limitations in implementing spectroscopic techniques in the field. This study sought to address these challenges through two objectives. The first objective was to assess Visible-near infrared (VisNIR) and mid-infrared (MIR) spectroscopic approaches and explore the feasibility of transferring calibration models between laboratory and portable spectrometers. The second objective addressed the challenge of soil moisture and its impact on spectra. The portable spectrometers demonstrated comparable performance to their laboratory-based counterparts in both regions. Spiking with extra-weight, was the most effective calibration transfer method eliminating disparities between instruments. The samples were rewetted …
Understanding Structure/Process-Property Relationships To Optimize Development Lifecycle In Yttria-Stabilized Zirconia Aerogels For Thermal Management, Rebecca C. Walker
Understanding Structure/Process-Property Relationships To Optimize Development Lifecycle In Yttria-Stabilized Zirconia Aerogels For Thermal Management, Rebecca C. Walker
Theses and Dissertations
Aerogels are mesoporous materials with unique properties, including high specific surface area, high porosity, low thermal conductivity, and low density, increasing these materials’ effectiveness in applications such as catalyst supports, sorption media, and electrodes in solid oxide fuel cells. Zirconia (ZrO2) aerogels have special interest for high-temperature applications due to the high melting point of ZrO2 (2715°C) and stability between 600°C and 1000°C, where other aerogel systems often begin to sinter and densify. These properties and unique pore structure make zirconia aerogels advantageous as thermal management systems, especially in aeronautics and aerospace applications. However, to be effective …
Applied Machine Learning In Extrusion-Based Bioprinting, Shuyu Tian
Applied Machine Learning In Extrusion-Based Bioprinting, Shuyu Tian
Theses and Dissertations
Optimization of extrusion-based bioprinting (EBB) parameters have been systematically conducted through experimentation. However, the process is time and resource-intensive and not easily translatable across different laboratories. A machine learning (ML) approach to EBB parameter optimization can accelerate this process for laboratories across the field through training using data collected from published literature. In this work, regression-based and classification-based ML models were investigated for their abilities to predict printing outcomes of cell viability and filament diameter for cell-containing alginate and gelatin composite hydrogels. Regression-based models were investigated for their ability to predict suitable extrusion pressure given desired cell viability when keeping …
Information Architecture For A Chemical Modeling Knowledge Graph, Adam R. Luxon
Information Architecture For A Chemical Modeling Knowledge Graph, Adam R. Luxon
Theses and Dissertations
Machine learning models for chemical property predictions are high dimension design challenges spanning multiple disciplines. Free and open-source software libraries have streamlined the model implementation process, but the design complexity remains. In order better navigate and understand the machine learning design space, model information needs to be organized and contextualized. In this work, instances of chemical property models and their associated parameters were stored in a Neo4j property graph database. Machine learning model instances were created with permutations of dataset, learning algorithm, molecular featurization, data scaling, data splitting, hyperparameters, and hyperparameter optimization techniques. The resulting graph contains over 83,000 nodes …
Theoretical Investigation Of The Biomass Conversion On Transition Metal Surfaces Based On Density Functional Theory Calculations And Machine Learning, Wenqiang Yang
Theses and Dissertations
During the past decades, heterogenous catalyzed conversion of biomass to hydrocarbons with similar or identical properties to conventional fossil fuels has gained significantly academic and industrial interest. However, the conventional heterogeneous catalysts such as sulfided NiMo/Al2O3 and CoMo/Al2O3 used have various drawbacks, such as short catalyst lifetime and high sulfur content of product. To overcome the limitations of the conventional sulfided catalysts, new catalysts must be developed, which requires a better understanding of the reaction mechanism of the biomass conversion. Based on density functional theory, in this thesis, we reported a computational calculation study …
Discovery Of Materials Through Applied Machine Learning, Travis Williams
Discovery Of Materials Through Applied Machine Learning, Travis Williams
Theses and Dissertations
Advances in artificial intelligence technology, specifically machine learning, have cre- ated opportunities in the material sciences to accelerate material discovery and gain fundamental understanding of the interaction between certain the constituent ele- ments of a material and the properties expressed by that material. Application of machine learning to experimental materials discovery is slow due to the monetary and temporal cost of experimental data, but parallel techniques such as continuous com- positional gradients or high-throughput characterization setups are capable of gener- ating larger amounts of data than the typical experimental process, and therefore are suitable for combination with machine learning. A …