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Showing 1 to 20 of 321 for “"computational studies"”.
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Computational Studies of Electrorheological Emulsions
<p>In this thesis we report the results of investigations on the rheological response of emulsions to the application of the electric field. A front-tracking finite difference scheme is used in conjunction with Taylor-Melcher leaky dielectric theory to study the problem. The numerical results in …
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Computational studies of cerebellar cortical circuitry
This thesis includes two directions of research regarding the function and physiology of the cerebellum. One direction was concentrated on the cerebellum involvement in motor control during a visually guided tracking task performed by non-human primates. The second effort aimed to characterize the …
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Computational studies of hydrogen in palladium
… inform those performing experimental diffractionstudies. Studies have been performed of the isotope dependence of absorption taking into accountthe differing zero point energies of the three hydrogen isotopes.
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Computational studies of viscoelastic multiphase flows
A finite element code based on the level set method is developed for performing two and three dimensional direct numerical simulations (DNS) of viscoelastic two-phase flow problems. The Oldroyd-B constitutive equation is used to model the viscoelastic liquid. The code is used to study transient and …
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Computational Studies in Chemical Quantum Physics
Two stochastic dynamic models are used to study several aspects of curve crossing phenomena in dissipative systems. A surface hopping model is used to test the qualitative predictions of earlier theories. The simulation results agree well with the qualitative picture. Results are obtained for an …
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Computational Studies of Autocrine Ligand Binding
… of stimulation. Interpretation of experimental studies of autocrine systems is complicated by both the interdependence of system variables and the difficulty in measuring central parameters including secretion rate and receptor number. A mathematical modeling approach offers hope for improved …
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Computational Studies Of Dendritic Crystal Growth
Submitted by Meng Tao (mengtao2@illinois.edu) on 2012-10-23T19:13:37Z No. of bitstreams: 1 Kim_Yung.pdf: 1340085 bytes, checksum: c2eb5327a88c7b5df8dd98c152e8890a (MD5)
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Computational Studies of PbS Quantum Dots
… relationship of PbS QDs. To aid in the computational efforts, we first developed a Python library to automate DFT calculations and facilitate analysis, a framework based on nested directed graphs to manage and schedule concurrent and consecutive tasks, and a sigma.js- and Flask-based web …
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Computational studies of anti-cancer Aurein peptides
Submitted in fulfilment of the requirements of the Degree of Master of Technology: Chemistry, Durban University of Technology, Durban, South Africa, 2014.
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Computational Studies of Selected Ruthenium Catalysis Reactions.
Computational techniques were employed to investigate pathways that would improve the properties and characteristics of transition metal (i.e., ruthenium) catalysts, and to explore their mechanisms. The studied catalytic pathways are particularly relevant to catalytic hydroarylation of olefins. …
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Computational studies of nonlinear dispersive plasma systems
… The goal of this thesis is to discuss two computational studies of plasma phenomena, one drawn from strongly coupled complex or dusty plasmas, and the other from weakly coupled hydrogen plasmas.</p><p>In the realm of dusty plasmas, we focus on the problem of three-dimensional (3D) Mach …
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Structural and Computational Studies of RNA Polymerase
… molecular machine. By combining structural and computational methods we: (1) Used X-ray crystallography to investigate promoter -35 element recognition by domain 4 of the Group IV sigma factors, revealing that conserved positions within -35 element induce an AA/TT-tract like DNA geometry, …
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Computational Studies of Glycan Conformations in Glycoproteins
N-glycans refer to oligosaccharide chains covalently attached to the side chain of asparagine (Asn) residues, and the majority of proteins synthesized in the endoplasmic reticulum (ER) are N-glycosylated. N-glycans can modulate the structural properties of proteins due to their close proximity to …
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Computational studies of origins of life scenarios
… today. In the research presented here, we apply computational methods to explore origins of life scenarios. In particular, we focus on the origins of the genetic code and the intersection between geochemistry and a primordial ``biochemistry"" in which mononucleotides could form short …
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Theoretical and computational studies in seismic tomography
Seismic tomography allows us to study the interior structure of the Earth on a range of lengthscales, with the method of waveform inversion being a promising and relatively recent development. In this work, we present new theoretical methods which may contribute to the study and solution of seismic …
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Experimental and computational studies of a fungal chitinase
Submitted in fulfillment of the requirements of the degree of Doctor of Philosophy: Chemistry, Durban University of Technology, 2015.
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Computational Studies Of Enzymatic Reactions And Inorganic Compounds
… proven to give accurate results with moderate computational expense. When studying enzymatic reactions, a comprehensive understanding of the interactions in an intuitive way is highly instructive. The combined ELF/NCI analysis meets the demand. In this dissertation, we have discussed the …
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Mathematical Modeling and Computational Studies for Cell Signaling
<p>The mitogen-activated protein kinase (MAPK) cascades that are evolutionally conserved from yeast to mammals play a pivotal role in many aspects of cellular functions. The mating decision in yeast is a switch-like or bistability response that allows cells to filter out weak pheromone signals or …
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Computational studies of electronic structure of doped graphene
In the literature, extensive studies have been performed to study the electronic properties of doped graphene. This is due to the potentially large number of applications of graphene in p-n junctions, transistors, photodiodes and lasers. By utilizing single heteroatom chemical doping method or …
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Computational Studies of Ohmic Heating in the Spheromak
Time-dependent computational simulations using both single-fluid O-D and two-fluid 1 1/2-D models are developed for and utilized in an investigation of the ohmic heating of a spheromak plasma. The plasma density and composition, the applied magnetic field strength, the plasma size, and the plasma …
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