Global ETD Search
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 310 for “"Semi-empirical"”.
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Semi-empirical sea-level modelling
Semi-empirical sea-level models (SEMs) exploit physically motivated empirical relationships between global sea level and certain drivers, in the following global mean temperature. This model class evolved as a supplement to process-based models (Rahmstorf (2007)) which were unable to fully …
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Deterministic and Stochastic Semi-Empirical Transient Tire Models
… this study is concerned with the development of semi-empirical transient tire models for on-road and off-road vehicle simulations. The semi-empirical transient tire model is developed based on existed tire models, analytical tire structure mechanics analysis, and experimental data collected by …
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A Semi-Empirical Molecular Orbital Model for Inorganic Molecules
Made available in DSpace on 2014-12-09T17:35:57Z (GMT). No. of bitstreams: 1 6808217.pdf: 4827150 bytes, checksum: cd15be62439c3a7e66caba80f3a1988a (MD5) Previous issue date: 1967
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Semi-Empirical Studies on Electronic Properties and Applications of Carbon Nanotubes
… gap opening/closing is predicted for metallic/semiconducting zigzag nanotubes, while armchair nanotubes remain metallic due to the high lattice symmetry. Next, we demonstrate the possibility of metal-semiconductor transitions in metallic nanotubes under angular perturbations. With the aid of …
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Calculation of thermodynamic and kinetic properties using semi- empirical quantum codes
Although semi-empirical quantum codes have existed for several years now, the computational chemistry has, by and large, remained the subject of major interest for organic chemists and quantum chemists. In this thesis numerous exercises are designed in order to explore various areas of chemical …
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Adaptive heterogeneous parallelism for semi-empirical lattice dynamics in computational materials science.
With the variability in performance of the multitude of parallel environments available today, the conceptual overhead created by the need to anticipate runtime information to make design-time decisions has become overwhelming. Performance-critical applications and libraries carry implicit …
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A semi-empirical approach to modelling well deliverability in gas condensate reservoirs.
… prediction of well production rates using semi-empirical approach. The use of state of the art fine grid numerical simulation is time consuming and computationally demanding, therefore not suitable for real time rapid production management decisions required on site. Development of accurate …
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Development of a semi–empirical reaction kinetic model for PEM fuel cells
In the drive to more sustainable energy production, polymer electrolyte fuel cells (PEFC) have been at the pinnacle of global research. One of the major drawbacks of PEFCs is therequirement for expensive noble metal catalysts (platinum and ruthenium). Furthermore 75% of the overpotential losses at …
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Hydrodynamic Modeling for Autonomous Underwater Vehicles Using Computational and Semi-Empirical Methods
… from computational flight tests and using a semi-empirical approach. The three vehicles which this thesis focuses on are two gliders (Slocum and XRay/Liberdade), and a third vehicle, the Virginia Tech Miniature autonomous underwater vehicle.
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Spin projection of semi-empirical and ab initio unrestricted Hartree-Fock wavefunctions
… computer programs to calculate projected semi-empirical and ab initio unrestricted Hartree-Fock (UHF) wavefunctions. The electronic spectra of naphthalene, anthracene, naphthacene and pentacene were calculated using the Pariser-Pople-Parr (PPP) Π-electron approximations and both UHF and …
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Semi-empirical and machine learned interatomic interaction potentials for zirconium: training, validation and application
… of CANDU nuclear reactors. In this thesis, semi-empirical and machine-learning approaches are carried out to develop force fields capable of describing key physical properties of Zr in the context of nuclear power applications. These force fields are then used to model the first stages of …
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Development of semi-empirical models to measure mass flow rate of solids in an air seeder
… was chosen as the dependent variable. An earlier empirical model for mass flow measurement was developed prior to this research. But that model was only valid under its test condition and did not provide any insight on the flow mechanism. Hence, this investigation developed models based on …
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Simulation of dynamic response of Self-Powered-Inconel-Neutron-Detector lead cables using a semi-empirical model
… reactor. The main goal was to develop a semi-empirical dynamic model of theInconel lead-cables in Ontario Power Generation’s Darlington Nuclear GenerationStation (NGS) able to simulate the lead cables’ response to arbitrary neutron-fluxtransients. A secondary goal was to compare …
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Semi-Empirical Lifetimes for High-Energy Rydberg States of ¹³³Cs Neutral Cesium in a Blackbody Radiation Field
… and effective lifetimes have been calculated semi-empirically for high-energy excited states of neutral Cesium, using wave functions obtained through direct inward numerical integration of the Schrödinger equation with a central potential modeled by applying a Norcross polarizability …
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Experimental Evaluation and Semi-Empirical Modeling of the Tractive Performance of Rigid and Flexible Wheels on Lunar Soil Simulant
Understanding the effects of various wheel parameters on tractive performance is not completely understood. In order to properly quantify the individual effects of wheel parameters on the mobility of rigid and flexible wheels in soft soil, tests were performed, in cooperation with NASA Glenn …
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KMESS: an open source software package using a semi-empirical mesh-grid method for the modeling of germanium detector efficiencies
… to address these problems. KMESS uses a new semi-empirical mesh-grid method to predict the absolute full-energy peak efficiencies of n- and p-type germanium detectors in both coaxial and closed-ended configurations. The model assumes that any gamma-ray source shape can be treated as a …
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Calibration of empirical, semi-empirical, and physics-based material models for the prediction of creep and tensile behaviour of Alloy 617
… models vary in complexity, progressing from empirical models that rely solely on fitting experimental data, to semi-empirical models that incorporate simplified physical concepts, and finally to physics-based models that explicitly represent the underlying deformation and degradation …
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Rain attenuation and depolarization along 10 to 30 GHz earth space links predicted from s-band dual-polarized radar measurements
… data collected along the path. Then, two semi-empirical models are developed which predict attenuation from radar measured reflectivity and differential reflectivity. These two semi-empirical models are used to evaluate FORWP. Finally, attenuation predictions of FORWP are compared to the …
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Effect of liner thickness on acoustic wave propagation in ducts
… for the liner acoustic admittance and a semi-empirical formula that is widely used in the literature is discussed. The influence of the liner on acoustic propagation in a duct is examined for the case of a plane duct that carries a uniform mean flow. Numerical results for the attenuation …
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