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 117 for “"multiscale modeling"”.
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Multiscale modeling of microbial communities
… production in nature. By incorporating the modeling framework presented in Chapter 3, the results of the ODE model were extended to the spatial setting, providing ecological insights into the costs and benefits of bacteriocin synthesis in competitive environments. For the final research …
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Multiscale Modeling of Biomolecular Complexes
… of different levels of resolution into so-called multiscale simulations. This thesis presents two multiscale methodologies. The first is a novel method to model complexes between protein and DNA that contain looped or coiled DNA. The approach combines a coarse-grained model of the DNA loop, based …
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Multiscale modeling in granular flow
… be manipulated. Much of the complexity of modeling granular materials stems from the discreteness of the constituent particles, and a key theme of this work has been the connection of the microscopic particle motion to a bulk continuum description. This led to development of the "spot …
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Multiscale Modeling and Applications in Nanotribology
A concurrent multiscale modeling approach to scaling up amorphous materials using Pseudo Amorphous Cell (PAC) is proposed. This approach is derived in detail for 2D case. It is then validated by performing multiscale simulation of nanoindentation on a 2D polymer substrate. A good agreement between …
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Multiscale modeling of clay-water systems
… properties. This research proposes a bottom-up multiscale modeling approach to understand the physics underlying macroscopic clay behavior. Atomistic models are developed to understand clay-water interactions using the ClayFF force field. We simulate water adsorption between clay layers for a …
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Hierarchical multiscale modeling of Ni-base superalloys
… γ' precipitates to 5-30 μm grains, hierarchical multiscale modeling is essential to address behavior at the component level. The goal of this work is to develop a framework for hierarchical multiscale modeling network that features linkage of several fine scale models to incorporate relevant …
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Concurrently coupled multiscale modeling of polymer nanocomposites
… model to atomic scale resolution in concurrent multiscale modeling. ESCM scheme is relatively easy to implement within conventional FEM code and has been tested in standard solid lattice structures. However, this method encounters difficulties when being implemented for amorphous materials like …
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Multiscale modeling and numerics of sorption kinetics
L'obiettivo della tesi è quello di sviluppare modelli multiscala e metodi numerici per la simulazione di surfattanti (anioni e cationi) in presenza di una bolla oscillante che si comporta come una trappola per gli anioni E' un problema interdisciplinare e la trattazione è approfondita …
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Multiscale modeling of thin film deposition processes
Ionized physical vapor deposition (IPVD) and electrochemical deposition (ECD) are two major thin film deposition processes in the microelectronics industry. The ion fluxes with high kinetic energies in IPVD process involve complex surface interactions that affect overall topology of the microscale …
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Multiscale modeling strategies for chemical vapor deposition
… method. The simulation results obtained with the multiscale method are in excellent agreement with experimental data for selective epitaxy of AlGaAs in the presence of HC1. A KMC model is developed for AlGaAs surface morphology evolution during selective epitaxy. The model takes into account …
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Multiscale Modeling of the Mechanical Behavior of Clay
… properties of clay through a bottom-up modeling approach, involving simulations at three length scales. At the nanoscale, molecular dynamics simulations were carried out to quantify the Potential of Mean Force (PMF) for water-mediated interactions between pairs of primary clay particles …
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Multiscale Modeling of an Industrial Nylon-6 Leacher
This thesis presents a multiscale model of an industrial nylon-6 leacher. We develop several models at various spatial scales and implement them together in a simplistic, efficient way to develop an overall leacher model. We solve dynamic transport differential equations using the finite-volume …
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Multiscale Modeling of friction Mechanisms with Hybrid Methods
This thesis presents a simulation model of sliding process of friction, which combines Newtonian particle dynamics and finite element method to study friction mechanisms that bridging micro and macro scales. In the thesis, it first reviews the importance of studying pavement friction that is …
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Multiscale Modeling and Simulation of Turbulent Geophysical Flows
… in numerical weather prediction and climate modeling as well as in numerous critical areas and industries, such as agriculture, construction, tourism, transportation, weather-related disaster management, and sustainable energy technologies. Oceanic and atmospheric flows display an enormous …
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Multiscale Modeling of the Deformation of Semi-Crystalline Polymers
The mechanical and physical properties of polymers are determined primarily by the underlying nano-scale structures and characteristics such as entanglements, crystallites, and molecular orientation. These structures evolve in complex manners during the processing of polymers into useful articles. …
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MULTISCALE MODELING OF III-NITRIDE CORE-SHELL SOLAR CELLS
<p>Multiscale computational simulations are performed to investigate how electronic structure and optical absorption characteristics of recently reported nanostructured III-nitride core-shell MQW solar cells are governed by an intricate coupling of size-quantization, atomicity, and built-in …
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Multiscale Modeling Of The Hierarchical Structure Of Cellulose Nanocrystals
… are unavailable in the existing literature. A multiscale framework has been developed to predict and describe the thermo-mechanical characteristics of cellulose nanocrystals using state-of-the-art computational tools capable of connecting atomistic based simulations to experiments through …
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Multiscale modeling of elastic moduli and strength of bone
… In the first part of the current study, multiscale modeling approaches are proposed to predict the elastic stiffness constants of bone. The structure and properties of cortical and trabecular bones are analyzed separately at different length scales: nanoscale (mineralized collagen fibril …
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