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.
Results
Showing 1 to 20 of 29 for “"Long timescale"”.
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Ascent dynamics: an efficient algorithm probing long timescale dynamics
Submission published under a 24 month embargo labeled 'Closed Access', the embargo will last until 2024-05-01
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Atomistic calculations of rate of long-timescale microstructural evolution
… quantities that require sampling over a timescale too large for traditional atomistic methods to probe. New methods and techniques have to be developed in order to obtain useful information of rate from atomistic simulations. In this thesis, we explore a set of four problems, related to …
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Investigation of Long-timescale Behavior of Positive DC Streamer Coronas
… from the inter-electrode gap over inter-pulse timescales. However, this theory has not been validated, either experimentally or numerically. Most prior works investigating DC streamers have focused on the streamer propagation phase (a few tens of nanoseconds) - few have investigated longer …
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Understanding long timescale phenomena in atomic systems from accelerated molecular simulation methods
… simulations have limited attempts to capture long timescale dynamics of material systems, such as phase transitions or dynamics of supercooled liquids. This class of phenomena often requires the crossing by thermal activation of large energy barriers, which represent transition states …
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Application of All-Atom and Coarse-Grained Molecular Dynamics Simulations to Long Timescale Structural Transitions of Proteins
… MD simulations are limited, however, both in the timescales that they can access (usually on the order of nanoseconds) and by the accuracy of MD potential energy functions and parameters. This thesis presents a series of applications of MD to systems which are generally beyond the reach of such …
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Efficient sampling of protein conformational dynamics and prediction of mutation effects.
… are typically limited to the microsecond timescale, whereas biological motions can take seconds or longer. Because of this, it remains extremely challenging to restrain simulations using ensemble-averaged experimental observables. Among various approaches to elucidate the kinetics of …
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The Unsteady Topology of Corner Separations
… the separation is shown to exhibit an extremely long timescale behavior, changing in topology over timescales many times longer than the convection time through the blade passage. The behavior is shown to be intrinsic to the separation and causes the separation, for periods, to completely …
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Historical growth rates and changing climatic sensitivity of boreal conifers
… is concerned with the expression of relatively long-timescale growth forcing in tree-ring chronologies. The operation of different standardisation techniques, used in dendroclimatology to remove internal, non-climate related growth trends in measured series of ring-widths, is explored with an …
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A variable temperature scanning tunneling microscopy study of organizing C60 molecules on nanostructured gold surface
… is also studied at room temperature over a long timescale. A combination of Ostwald ripening and Smoluchowski ripening process is observed.
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Phase space and path integral approaches to quantum dynamics
… initial condition can help us unify the fast timescales as well as the long timescale dynamics governed by the rate. On the other hand, if the transients are of less importance, we propose a ""near equilibrium"" initial condition that can very effectively get rid of most of the transients. …
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Structure, Assembly, and Maturation of High -Density Lipoproteins
… protein-lipid model developed to allow for long timescale simulations of lipoproteins. The coarse-grained model is validated through comparisons with small-angle X-ray scattering measurements and by reverse coarse-graining methods. Self-assembly simulations of discoidal HDL particles were …
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Structure, Assembly, and Maturation of High-Density Lipoproteins
… protein-lipid model developed to allow for long timescale simulations of lipoproteins. The coarse-grained model is validated through comparisons with small-angle X-ray scattering measurements and by reverse coarse-graining methods. Self-assembly simulations of discoidal HDL particles were …
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Micro and nanostructures for two-phase fluid and thermal transport
… experimental results show significantly reduced long-timescale (-seconds) temperature and pressure drop fluctuation at high heat fluxes. A critical heat flux (CHF) of 969 W/cm2 was achieved with a structured surface, a 57% enhancement compared to a smooth surface. The trend of CHF enhancement …
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Understanding bus travel time variation using AVL data
… informative when drawing conclusions across a long timescale. Thus, this research both lays the foundation for a broader research program and finds more visually striking and fundamentally valuable statistics for understanding variability in bus travel times.
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Decoding the Sequence-Dependent Properties of Intrinsically Disordered Proteins
… first look at sequence-dependent dynamics. Using long timescale MD simulations on a set of diverse IDPs, we show that fast motions can be attributed to glycine residues, while transient secondary structure and local or long-range intramolecular interactions facilitate slow dynamics. We noted that …
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Computational methods to design biophysical experiments for the study of protein dynamics
… capture protein motions over a diverse range of timescales. This work addresses the problem of the choice of probe positions in a protein, which residue-pairs should experimentalists choose for spectroscopy experiments. For this purpose, molecular dynamics simulations and Markov state models of …
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Kinetics of Disordered Proteins and their Interactions
… disordered protein. In this work I performed long-timescale simulations of Aβ42 with and without the addition of small molecules, and analysed the kinetics of the system using a neural network and a probabilistic state definition. Without a small molecule, the system occupies several states …
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Numerical modelling of geothermal borehole heat exchanger systems
… careful design is critical to both the short timescale and long timescale performance of geothermal heat pump systems. Unlike conventional components of HVAC systems, BHEs cannot be designed on the basis of peak load data but require 3 application of dynamic thermal models that are able to …
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Modeling cell proliferation in a perfusion tissue engineering bioreactor
… are inherently unsteady, though periodic, on a timescale short compared with that of tissue proliferation. A two-timescale analysis based on these two well-separated timescales is exploited to derive a closed model for the tissue growth on the long timescale. Some sample numerical results are …
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MARKOV STATE MODELS AND THEIR APPLICATIONS IN PROTEIN FOLDING SIMULATION, SMALL MOLECULE DESIGN, AND MEMBRANE PROTEIN MODELING
… folding studies. MSMs can be used to obtain long timescale information from short timescale simulations. In other words, the combination of many short simulations and MSMs is a powerful technique to study the folding mechanism of many proteins, even the ones with folding times over …
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