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Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 131 for “"first principle"”.
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First-principle based pharmacokinetic modeling
… within IVIVE and PBPK predictions according to first-principles: convection, diffusion, metabolism, and carrier-mediated transport. In Chapter 2, non-permeability limited hepatic elimination under perfusion steady state is examined. The well-stirred model is re-derived from the …
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Validation and Application of a First Principle Flotation Model
A first principle flotation model has been derived from the basic mechanisms involved in the bubble-particle and bubble-bubble interactions occurring in flotation. It is a kinetic model based on the premise that the energy barrier (E1) for bubble-particle interaction can be reduced by increasing …
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First Principle Modeling of Hybrid Halide Perovskites for Optoelectronic Applications
… both topics of debate and may be studied from first principle using modern, state-of-the-art computational software and high-power computing clusters. In this work, HP materials are studied using ab-initio methods to study the ground state and excited state properties. A model used in oxide …
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EXPLORATION OF TM-NX ORR ELECTROCATALYSTS FROM FIRST PRINCIPLE CALCULATIONS
… XPS observations alone remains challenging. vi First-principles computations can provide us with the missing link by predicting core-level shifts for candidate defect motifs. This ability enables us to establish structure/property relationships directly and provides us with information that is …
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Development and Validation of a Simulator based on a First-Principle Flotation Model
A first-principle flotation model was derived at Virginia Tech from the basic mechanisms involved in the bubble-particle and bubble-bubble interactions occurring in a flotation cell (Yoon and Mao, 1996; Sherrell and Yoon, 2005; Do, H, 2010). The model consists of a series of analytical equations …
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An evaluation of the first principle of Descartes and its relevance to modern thought
Thesis (M.A.)--Michigan State College of Agriculture and Applied Science. Dept. of Philosophy, 1952
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Applications of Machine Learning and First-Principle Modeling to Evaluate Design Enhancements in Autoinjectors
One of the key guiding principles in Amgen operations is to ensure reliability of the offered combination products to best serve patients and maintain a competitive advantage for the business. With a broad device portfolio and increasing sales volume, Amgen now has access to large data repositories …
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First principle study of Nax[TiyZnzMnw]O2 as a cathode material for sodium-ion batteries
… anode, and electrolyte materials. In this study, first- principles method based on the density functional theory was used to investigate the structural, electronic, mechanical and thermodynamics properties of Na intercalated electrode material NaxMnO2 electrode materials doped with Titanium (Ti) …
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Investigation of the mechanical properties and phase stability of Ti-transition metal alloys using first-principle calculations
… and biomedical fields. Based on the design principle of searching for Ti-monoboride ceramic phases with higher Young’s modulus, higher Pugh’s ratio, and lower stacking fault energies compared to TiB, we compute the mechanical properties of monoborides with different compositions (X11−xX2x)B …
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Understanding the properties of the interface between graphene and transition metal oxide thin films using first principle approaches
… and optical properties were performed by the rst principle calculations based on density functional theory. Various supercells of graphene were modelled and, optimized and their properties were calculated. The results show that different graphene supercells have di erent electronic and optical …
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Use of First-Principle Numerical Models to Enhance the Understanding of the Operational Analysis of Space-Based Earth Radiation Budget Instruments
… the Earth's radiative energy budget. High-level, first-principle dynamic electrothermal models of the CERES radiometric channels have been completed under NASA sponsorship. These first-principle models consist of optical, thermal and electrical modules. Optical characterization of the channels is …
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Application of First Principle Modeling in Combination with Empirical Design of Experiments and Real-Time Data Management for the Automated Control of Pharmaceutical Unit Operations
… fluid bed control systems have either used first principle calculations to control the internal process environment or purely empirical methods that incorporate online process measurements with process models. This dissertation was predicated on the development of a novel hybrid control …
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Integrated Process Modeling and Data Analytics for Optimizing Polyolefin Manufacturing
… Thus, we showcase the methodology for making first-principle polyolefin process models which are scientifically consistent, but tend to be less accurate due to many modeling assumptions in a complex system. Data analytics and machine learning (ML) have been applied in the chemical process …
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Robustness of adaptive control systems to unmodeled dynamics : a describing function viewpoint
… with minimal restrictions. However, extensive first-principle based arguments and/or analysis of the parameter trajectory is employed. An alternative to such analysis, albeit approximate, is to use the well-known Describing Function (DF) method. In doing so, the analysis of the robust adaptive …
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Manufacturing and Characterization of Gold-Black and Prediction and Measurement of its Directional Spectral Absorptivity
… spectral absorptivity of gold-black. A first-principle model based on lossy antenna theory is presented to predict the polarization dependent directional spectral absorptivity of gold-black in the visible and near infrared. Results for normal spectral absorptivity are in good agreement …
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Inelastic transport In molecular junctions from first principles
This work is dedicated to development of a first-principle approach to study electron-vibration interactions on quantum transport properties. In the first part we discuss a general implementation for inelastic transport calculations based on maximally localized Wannier functions and non-equilibrium …
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A Thomistic Appraisal of the Philosophy of Henry George
<p>The first principle of the moral law, written alike in the natures of Christians and their adversaries, accounts for such unity pf purpose as can be found in the conflicting social theories of the present day. The desire to establish justice has supported some of the most noble and some of the …
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The Ontology of Not-Being in Aristotle and His Predecessors
… denying not-being any status or making it into a first principle.</p>
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First Principles of Line Drawings
… We bake these observations into a set of first principle objectives and train an image translation network to map 3D objects into line drawings. We also explore generation of new styles of line drawings through a novel style confusion loss which averages and combines elements from …
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First-principles approach to screening multi-component metal alloys for hydrogen purification membranes
… to properly test these materials. We show how first principle calculations combined with coarse-grained modeling can accurately predict H2 fluxes through binary and ternary alloy membranes as a function of alloy composition, temperature and hydrogen pressures. Our methods require no …
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