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 22 for “"Water Models"”.
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Developing Fast and Accurate Water Models for Atomistic Molecular Dynamics Simulations
Water models are of great importance for different fields of studies such as fluid mechanics, nano materials, and biomolecule simulations. In this dissertation, we focus on the water models applied in atomistic simulations, including those of biomolecules such as proteins and DNA. Despite water's …
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Accounting for parameter uncertainty and temporal variability in coupled groundwater-surface water models using component and systems reliability analysis
… critical peak pumping rates to supply irrigation water needs for crops. This may lead to increased concerns about reduction in baseflow and adverse impacts upon riverine ecosystems. As an example, conflicts have been documented between different water users in Kankakee River during the low-flow …
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Propapation and attenuation characteristics of multilayered media
… The solution obtained for two simple shallow water models is shown to agree well with the known exact solutions. Integration grid density is discussed and a minimum required density specified. The use of complex sound speeds to simulate bottom attenuation is reviewed. A numerical instability …
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Modulational instability in some shallow water wave models
… phenomenon of Stokes' periodic waves on the water surface. In this dissertation, we study this phenomenon for periodic traveling wave solutions of various shallow water wave models. We study the spectral stability or instability with respect to long wave length perturbations of small …
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Triple oxygen isotope measurements by tunable infrared laser direct absorption spectroscopy, and applications to ratite eggshell
… oxygen enabled atmospheric and animal body water models. This project concludes by recommending 3 main points of focus for future research directed towards improving RES data interpretation within the context of (paleo-)environmental reconstruction: (1) adoption of international standards …
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Investigations of Ice Photodynamics: Molecular Dynamics Studies and an Apparatus for Solid Sample Velocity Map Imaging
Water ice is prevalent in many environments, from the surface and atmosphere of Earth to molecular clouds in the interstellar medium. High energy photons initiate photoreactions via excitation of water or contaminant species within these environments. This thesis describes increasingly …
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Seasonality of the Agulhas Current with respect to near- and far-field winds
… seasonality is investigated using shallow water models, satellite measurements, and a 23-year transport proxy based on observations. A one-and-a-half layer reduced gravity model is shown to successfully reproduce the seasonal phasing of the current. This seasonality is found to be highly …
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Understanding small molecule-protein interactions
… shifts focus to the development of electrostatic models of small molecules. It is widely believed that classical potentials can describe neither vibrational frequency shifts in condensed phases nor the response of vibrational frequencies to an applied electric field, the vibrational Stark effect. …
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Several applications of a model for dense granular flows
… approaches based on various reduced (shallow water) models. With our numerical scheme, we are able to lift the assumptions required for other models, and make predictions in good qualitative agreement with the experimental data. An additional chapter describes the largely unrelated problem of …
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Developing groundwater and surface water interaction methods for complex hydrological systems
Methods and models associated with the interaction of surface-subsurface water flow have been widely employed in many environmental studies over the last decade. However, in spite of considerable effort, understanding the impact of both artificial and natural aspects of the connection between …
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Investigating the effect of charge hydration asymmetry and incorporating it in continuum solvation framework
… modeling is an accurate description of water as a solvent. The challenge is to make this description computationally facile -- reasonably fast, simple, robust and easy to incorporate into existing software packages, yet accurate. The most rigorous procedure to model the effect of aqueous …
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Inclusion behaviour in the liquid core during continuous casting.
Water models using perspex have been built to study the fluid flow and recirculation patterns developed in the sump of a steel continuous casting machine and the influences these have on the behaviour of inclusions. An experimental method has been devised to simulate the behaviour of inclusions in …
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Stratigraphy, depositional environments, and petroleum potential of the Three Forks Formation -- Williston Basin, North Dakota
… Forks are identified and log-derived porosities, water saturations, and net-togross values for each Member calculated and areas with high reservoir quality and potential pay zones highlighted. Also, core data are quantitatively compared with results from the Archie, Simandoux, Modified Simandoux, …
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Transferable Coarse-Grained Models: From Hydrocarbons to Polymers, and Backmapped by Machine Learning
… polymers poses a challenge to the existing CG MD models due to their limited accuracy and transferabilities. In this regard, this dissertation has developed CG models of polymers on the basis of accurate and transferable hydrocarbon models, which are important components of the polymer backbone. …
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Optimal Point Charge Approximation: from 3-Atom Water Molecule to Million-Atom Chromatin Fiber
… and straightforward in technical implementation, models based exclusively on atom-centered charge placement, a major workhorse of the biomolecular simulations, do not necessarily provide a sufficiently detailed description of the molecular electrostatic potentials for small systems, and can become …
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Laminar-flow Liquid-to-air Heat Exchangers - Energy-efficient Display Cabinet Applications
… velocities in combination with condensation of water vapour, and sometimes even frosting, and is therefore different from other applications where flat-tube heat exchangers have been used earlier. The objective of this research work has been to find a suitable, more energy-efficient, heat …
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Experimental Study of Pathogenic Microorganism Resuspension from Mobile Bed Sediment in Irrigational Canals
Pathogens in an interactive water-sediment environment are present as free agents in water or attachments to sediment particles. The resuspension of pathogens from bed sediment in irrigation canals impairs the quality of overlaying water and can result in the contamination of fresh produces. …
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A comprehensive modeling approach for BMP impact assessment considering surface and ground water interaction
… of selected BMPs on both hydrology and water quality and to demonstrate the applicability of the system by considering 1) temporally and spatially changing land use management practice in an agricultural watershed and 2) interaction between surface and ground water over the entire …
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Experimental and Numerical Modeling of Dam-Break and Levee-Breach Flows
… data set may be utilized to validate shallow water models and 3-D computational fluid dynamics models of free-surfaceflow. </p> <p> A two-dimensional idealized dam-break experiment was conducted in a straight flume. Dam failure was modeled by suddenly lifting a gate inside a flume for …
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