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 17 of 17 for “"Pair correlation function"”.
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Impurities in a Bose-Einstein condensate using quantum Monte-Carlo methods: ground-state properties.
… the binding energy, the effective mass and the pair correlation functions of a impurity along the attractive and the repulsive polaron branch. In particular, at the unitary limit of the impurity-bosons interaction, we find that the binding energy is much larger than the chemical potential of the …
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Optimization of force fields for molecular dynamics
… short peptides that are modeled with the usual functional form of a force field. We then apply the newly developed technology to study the liquid mixture of tert-butanol and water. We are able to obtain, after 4 iterations, the correct phase behavior and accurately predict the value of the …
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Probing nonlocal correlations with ultralong-range Rydberg molecules
… there are relatively few ways to probe correlations in these systems at mesoscopic length scales. In this thesis we present a new technique for probing correlations in ultracold atomic gases using ultralong-range Rydberg molecules. We will present a description of the relevant …
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Extended-Range Oscillations and the First Sharp Diffraction Peak in Amorphous Silicon: A Systematic Study
… on the real-space structure or atomic pair correlation function (PCF). Comparison of observed results with the experimental data shows that the FSDP is sensitive to the extended-range oscillations on real space structure.</p> <p>The RMS deviation and the percentage error calculated in …
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Projections and correlations in the fractional quantum Hall effect
… frameworks such as variational trial wavefunctions, topological phases, conformal field theory and more. There are reasons to expect that some phases of the system harbour nonabelian excitations: particles whose interchange affects the state of the whole system in a way depending on the …
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Scaling and Correlation Functions to Map and Understand the Heterogeneity of the Productive Layer
… the solution is a two-step process based on the Pair Correlation Function (PCF) approximation method that takes into account the effect of scattering by considering the interactions between any two points of a heterogeneous medium. The amplitude of the correlations of fluctuations are estimated …
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Application of quantum Monte Carlo methods to excitonic and electronic systems
… then quantify the effects of uncertainty in the correlation length on estimated error bars, finding that the frequency of outliers is significantly increased for short runs. We then report QMC calculations of biexciton binding energies in bilayer systems. We have also calculated exciton-exciton …
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Measuring Hanbury Brown-Twiss correlations of pions in high-energy nucleus-nucleus collisions
… how particle detectors extract information about correlations due to the Hanbury Brown-Twiss (HBT) effect for identical pions from the collision debris of a high-energy collision between two heavy nuclei. The basic ingredients of HBT correlations are: the exchange symmetry ( antisymmetry) of the …
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Microstructure and residual stress in hydrogenated amorphous silicon (a-Si:H) layers
… has been experimentally determined using the pair correlation function, calculated using Fourier transformation of the scattered intensity. Indication of the residual stress in the layers was obtained using the conventional sin²ψ method, normally used and especially developed for …
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Monte Carlo simulation of aqueous dilute solutions of polyhydric alcohols
… systems are very nonideal in their behavior as a function of solute concentration down to very dilute solutions. The water model employed was TIP4P water¹ and the intermolecular potentials employed are of the Jorgensen type² in which the interactions between the molecules are represented by …
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Microstructure of Systems with Competition
… We demonstrate that at high temperatures, the correlation function of general O(n) systems exhibits a universal form. This form enables the extraction of microscopic interaction potentials from the high temperature correlation functions. In systems with long range interactions, we find that the …
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Static and dynamic correlation in lattice gas systems : an application to the intermetallic hydride ZrV2Hx
… transition probability is calculated as a function of threeparameters: lattice site energies, inter-particle interactions and neighbour jump-rates.GRT evaluates either the self correlation function, Gs(r,t), or the pair correlationfunction, G(r,t). A method is presented for interpreting …
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Structure and interactions of colloidal particles at fluid interfaces
… monolayers depends crucially on the effective pair interaction potential between colloidal particles. In the first part of the thesis, we present two novel methods for extracting the pair potential from the two-dimensional radial distribution function of dense colloidal monolayers. The first is …
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Mathematical Analysis of Upscaling Well Log Data from Sonic to Seismic Resolution
… method, the Backus Averaging method, the Pair Correlation Function “PCF” method, the General Singular Approximation “GSA” method, and the Markov Chain Monte Carlo “MCMC” method. These methods are evaluated in this thesis, and new upscaling methods are proposed as a derivation from the …
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Prediction and Anomaly Detection Techniques for Spatial Data
… removed. Finally, this research designs several Pair Correlation Function based methods to detect spatial categorical outliers for both single and multiple attribute data. Within them, Pair Correlation Ratio(PCR) is defined and estimated for each pair of categorical combinations based on their …
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Data-driven PSP linkages for atomistic datasets
For a variety of materials, atomic-scale modeling techniques are commonly employed as a means of investigating fundamental properties, including both structural and chemical responses. While force-field based calculations are significantly less computationally expensive than their …
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Ultrasonic characterization of cell pellet biophantoms and tumors using quantitative ultrasound models
… that high concentration of cells could lead to correlation in cell positions, causing additional scattering that may be modeled by the structure function. The structure function for the high-concentration cell pellet biophantom was isolated by comparing the BSC of the high-concentration …