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 16 of 16 for “"mean first passage time"”.
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Analysing First Passage Time Distributions of Large Ill-Conditioned Energy Landscapes
… and are expected to exhibit multiple relaxation time scales. Energy landscapes, consisting of local minima connected by transition states, can be represented by a kinetic transition network. Each local minimum is represented by a node in the network, and two nodes are joined by an edge if a …
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The narrow escape problem : a matched asymptotic expansion approach
… matched asymptotic expansions to calculate the mean first passage time, defined as the time taken for the Brownian particle to escape from the domain through the absorbing window. This is known as the narrow escape problem. Since the mean escape time diverges as the window shrinks, the …
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Um método estocástico de alocação de memória
… of the study we formulate a paging algorithm. First we borrow some properties of algebra, and with these results we develop the necessary theory to the mathematical interpretation of the chains of pages that link two given pages of the program in the computer. Then noticing randomnes as a main …
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Molecular Dynamics Simulation of Force-Induced Protein Domain Unfolding
… constant force pulling protocol, combine with mean first passage time approach in barrier crossing event, were used to estimate correctly the height of the main potential barrier on the force-induced domain unfolding pathway. A new protein domain classification method based on backbone hydrogen …
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Molecular dynamics simulations and neural network solutions for applications in biophysics
… evolved and became more accessible over time, much of scientific research shifted towards utilizing computational techniques. In particular, biophysics is a field of science that has continually benefited from the advancement of computers. In biophysics, numerical models of biological …
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Diffusion, sub-diffusion, and escape: A study of over-damped Brownian motion
… and a modified Langevin equation, valid on long time scales, is derived. This result is extended to higher dimensions and used to derive an expression for the effective diffusion coefficient. Comparison to that obtained from a lattice hopping model facilitates the construction of the …
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Metastable legged-robot locomotion
… down very often. We feel the definition of a meaningful metric for legged locomotion is a useful goal in and of itself. Specifically, the mean first-passage time (MFPT), also called the mean time to failure (MTTF), is an intuitively practical cost function to optimize for a legged robot, and …
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Fluid-structure interaction in noisy nonlinear systems
The first part of this work is concerned with the application of stochastic dimensional reduction to a twelve-dimensional aeroelastic model (i.e., two degrees of freedom that characterize the aerodynamics, two auxiliary degrees of freedom, and a four dimensional real noise process). The entire …
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Molecular simulation study of homogeneous crystal nucleation in n-alkane melts
… and identified the critical nucleus through a mean-first-passage time (MFPT) analysis. At about 20% under-cooling, the critical nucleus size n* is around 100 united atoms, and is slightly decreasing as the chain length increases. Abnormal temperature dependence of n* against classical …
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Molecular modeling of polymer crystallization and the effect of nucleating agents
… of macromolecules. In a novel application of mean first passage time analysis, the critical surface nucleus sizes, waiting times, and surface nucleation rates were extracted from atomically-detailed molecular trajectories using a layer-by-layer approach. Insight from MD simulations was used to …
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Mechanics and Kinetics of Microtubules in Their Environment
… phenomena are achieved. In this thesis, I first examine the effect of the quenched-disordered intracellular cytoskeleton network on the critical buckling of MTs. I apply the replica technique and find that the disorder reduces the critical buckling force, and the increase in disorder …
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Molecular design of interfacial modifications to alter adsorption/desorption equilibria at fluid-adjoining interfaces
… different approaches to molecular design. In the first application, the finite-temperature string method was used to elucidate the mechanism of water's evaporation at its liquid/vapor interface, with the goal of designing a soluble additive that could impede evaporation there. These simulations …
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Abstract Models of Molecular Walkers
… superdiffusively over significant distances and times. This gives the spiders potential as a faster-than-diffusion transport mechanism. However, analysis shows that single-spider motion eventually decays into an ordinary diffusive motion, owing to the ever increasing size of the region of …
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Competitive Nucleation in Nanoclusters
… and compared with the rates obtained from the mean first passage time and survival probability methods. Transition state theory is shown to predict the rates to the different structures under various conditions when the nucleation barrier is correctly normalized relative to the metastable …
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Buckling instabilities of semiflexible filaments in biological systems
… Model für dieses System und berechnen die “mean first passage time“, d.h. die mittlere Zeit für den Übergang von einem Zustand, in dem alle Motoren gebundenen sind zu einem Zustand, in dem alle Motoren abgebunden sind. Dieser Übergang entspricht auch einem Übergang aus dem gebogenen zurück …
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Activation processes in biology
… a specific physical or biological system. I first show how the forced unfolding of heteropolymers could be a process with non-exponential kinetics, developing ideas about the importance of unfolding pathways in determining kinetics of unfolding. Then, I consider forced unfolding when a …