Fast methods for static Hamilton-Jacobi Partial Differential Equations (open access)

Fast methods for static Hamilton-Jacobi Partial Differential Equations

The authors develop a family of fast methods approximating the solution to a wide class of static Hamilton-Jacobi partial differential equations. These partial differential equations are considered in the context of control-theoretic and front-propagation problems. In general, to produce a numerical solution to such a problem, one has to solve a large system of coupled non-linear discretized equations. The techniques use partial information about the characteristic directions to de-couple the system. Previously known fast methods, available for isotropic problems, are discussed in detail. They introduce a family of new Ordered Upwinding Methods (OUM) for general (anisotropic) problems and prove convergence to the viscosity solution of the corresponding Hamilton-Jacobi partial differential equation. The hybrid methods introduced here are based on the analysis of the role played by anisotropy in the context of front propagation and optimal trajectory problems. The performance of the methods is analyzed and compared to that of several other numerical approaches to these problems. Computational experiments are performed using test problems from control theory, computational geometry and seismology.
Date: May 1, 2001
Creator: Vladimirsky, Alexander Boris
System: The UNT Digital Library
Fidelity of a Finite Element Model for Longitudinal Wave Propagation in Thick Cylindrical Wave Guides (open access)

Fidelity of a Finite Element Model for Longitudinal Wave Propagation in Thick Cylindrical Wave Guides

The ability to model wave propagation in circular cylindrical bars of finite length numerically or analytically has many applications. In this thesis the capability of an explicit finite element method to model longitudinal waves in cylindrical rods with circular cross-sections is explored. Dispersion curves for the first four modes are compared to the analytical solution to determine the accuracy of various element sizes and time steps. Values for the time step and element size are determined that retain accuracy while minimizing computational time. The modeling parameters are validated by calculating a signal propagated with a broadband input force. Limitations on the applicability are considered along with modeling parameters that should be applicable to more general geometries.
Date: September 1, 2000
Creator: Puckett, A.D.
System: The UNT Digital Library
Field-induced magnetic phase transitions and correlated electronic states in the hexagonal RAgGE and RPtIn series (open access)

Field-induced magnetic phase transitions and correlated electronic states in the hexagonal RAgGE and RPtIn series

The present work was initially motivated by the desire to continue the study of complex metamagnetism in relation to the crystal structure of various compounds; this study already included tetragonal compounds like HoNi{sub 2}B{sub 2}C (Canfield 1997b; Kalatsky 1998) and DyAgSb{sub 2} (Myers 1999), in which the rare earths occupy unique tetragonal positions. We intended to find hexagonal systems suited for such a study, with complex metamagnetic properties, and the search for extremely anisotropic hexagonal compounds turned into a rewarding exploration. We identified and grew most of the heavy rare earth members of two isostructural series, RAgGe and RPtIn, both belonging to the hexagonal Fe{sub 2}P family of materials. In each of these series we found one compound, TmAgGe, and TbPtIn respectively, that was suitable for a simple study of angular dependent metamagnetism: they had three rare earth ions in the unit cell, positioned at a unique crystallographic site with orthorhombic point symmetry. The magnetization of both TmAgGe and TbPtIn was extremely anisotropic, with larger values for the in-plane orientation of the applied field than in the axial direction. Complex metamagnetic transitions existed for field within the ab-plane, and, similar to the case of the tetragonal compounds RNi{sub 2}B{sub 2}C …
Date: August 1, 2005
Creator: Morosan, Emilia
System: The UNT Digital Library
Finding the charm in 800 GeV/c p-Cu and p-Be single muon spectra (open access)

Finding the charm in 800 GeV/c p-Cu and p-Be single muon spectra

Fermilab Experiment 866 took single muon data from 800 GeV/c ({radical}s = 38.8 GeV) p-Cu and p-Be interactions in an attempt to extract the inclusive nuclear open charm/anti-charm (D/{bar D}) differential cross sections as a function of p{sub T}. The muons were decay products from semi-leptonic decays of open charm mesons as well as decays from lighter non-charmed mesons ({pi}'s and K's). Data were taken simultaneously from two interaction regions; one of two thin nuclear targets and a copper beam dump 92 inches downstream. The open decay length for hadrons produced in the targets increased the contribution to the muon spectrum from light hadron decays, relative to those from the dump. Production cross sections for light hadrons from previous experiments were used in conjunction with parameterized open charm cross sections to produce total Monte Carlo single muon spectra that were subsequently fit to the data. The sensitivity of this measurement covered an open charm hadron p{sub T} range of approximately 2 to 7 GeV/c, center-of-mass rapidity, y{sub cm}, between 0 and 2, and x{sub F} between 0.2 and 0.8. Previous experimental results for p-p or p-A open charm production at comparable energy was limited to {radical}5 GeV/ Three functions describing …
Date: January 1, 2005
Creator: Klinksiek, Stephen A.
System: The UNT Digital Library
First evidence for WW and WZ diboson production with semi-leptonic decays at a Hadron Collider (open access)

First evidence for WW and WZ diboson production with semi-leptonic decays at a Hadron Collider

Presented is a measurement of the simultaneous production of a W{sup {+-}} boson in association with a second weak boson (W{sup {+-}} or Z{sup 0}) in p{bar p} collisions at {radical}s = 1.96 TeV. Events are consider with one electron or one muon, missing transverse energy, and at least two hadronic jets. The data were collected by the D0 detector in Run IIa of the Tevatron accelerator and correspond to 1.07 fb{sup -1} of integrated luminosity for each of the two channels (WW/WZ {yields} e{nu}q{bar q} and WW/WZ {yields} {mu}{nu}q{bar q}). The cross section for WW + WZ production is measured to be 20.2 {+-} 2.5(stat) {+-} 3.6(sys) {+-} 1.2(lum) pb with a Gaussian significance of 4.4 standard deviations above the background-only scenario. This measurement is consistent with the Standard Model prediction and represents the first direct evidence for WW and WZ production with semi-leptonic decays at a hadron collider.
Date: March 1, 2009
Creator: Haley, Joseph Glenn Biddle
System: The UNT Digital Library
First Measurement of sigma(gg -> ttbar)/sigma(ppbar -> ttbar) (open access)

First Measurement of sigma(gg -> ttbar)/sigma(ppbar -> ttbar)

The work presented here is the first measurement of the fraction of top quark pair production through gluon-gluon fusion. We use an integrated luminosity of 0.96 {+-} 0.06 fb{sup -1} of p{bar p} collisions at {radical}s of 1.96 TeV collected by the CDF II detector. We select t{bar t} candidates by identifying a high-p{sub T} lepton candidate, a large missing E{sub T} as evidence for a neutrino candidate and at least four high E{sub T} jets, one of which has to be identified as originating from a b quark. The challenge is to discriminate between the two production processes with the identical final state, gg {yields} t{bar t} and q{bar q} {yields} t{bar t}. We take advantage of the fact that compared to a quark, a gluon is more likely to radiate a low momentum gluon and therefore, one expects a larger number of charged particles with low p{sub T} in a process involving more gluons. Given the large uncertainties associated with the modeling of the low p{sub T} charged particle multiplicity, a data-driven technique was employed. Using calibration data samples, we show there exists a clear correlation between the observed average number of low p{sub T} charged particles and …
Date: June 1, 2008
Creator: Pashapour Alamdari, Shabnaz & U., /Toronto
System: The UNT Digital Library
First measurement of the b^0_s semileptonic branching ratio to an orbitally excited d _s** state (open access)

First measurement of the b^0_s semileptonic branching ratio to an orbitally excited d _s** state

In a data sample of approximately 1.3 fb{sup -1} collected with the D0 detector between 2002 and 2006, the orbitally excited charm state D{sub s1}{sup {+-}}(2536)has been observed with a measured mass of 2535.7 {+-} 0.6(stat) {+-} 0.5(syst) MeV/c{sup 2} via the decay mode B{sub s}{sup 0} {yields} D{sub s1}{sup -}(2536){mu}{sup +}{nu}X followed by D{sub s1}{sup {+-}}(2536) {yields} D*{sup {+-}}K{sub S}{sup 0}. By normalizing to the known branching ratio Br({bar b} {yields} D*{sup -} {mu}{sup +}{nu}X) and to the number of reconstructed D* mesons with an associated identified muon, a first-ever measurement is made of the product branching ratio ({bar b} {yields} D{sub s1}{sup -}(2536){mu}{sup +}{nu}X) {center_dot} Br(D{sub s1}{sup -} {yields} D*{sup -}K{sub S}{sup 0}). Assuming that D{sub s1}{sup -}(2536) production in semileptonic decay is entirely from B{sub s}{sup 0}, an extraction of the semileptonic branching ratio Br(B{sub s}{sup 0} {yields} D{sub s1}{sup -}(2536){mu}{sup +}{nu}X) is made. Comparisons are made with theoretical expectations.
Date: December 1, 2007
Creator: Rieger, Jason
System: The UNT Digital Library
First measurement of the ratio of branching fractions BR(Lambda(b) to Lambda(c) mu nu)/BR(Lambda(b) to Lambda(c) pi) at CDF II (open access)

First measurement of the ratio of branching fractions BR(Lambda(b) to Lambda(c) mu nu)/BR(Lambda(b) to Lambda(c) pi) at CDF II

In this dissertation, we measure the properties of the lowest-mass beauty baryon, {Lambda}{sub b}. Baryons are the bound states of three quarks. Protons and neutrons, constituents of atomic nuclei, are the most common baryons. Other types of baryons can be produced and studied in the high-energy collider environment. Three-body dynamics makes baryons composed of low mass quarks difficult to study. On the other hand, baryons with one heavy quark simplify the theoretical treatment of baryon structure, since the heavy quark can be treated the same way as the nucleus in the atom. The {Lambda}{sub b} is composed of u, d, and b quarks, where the b quark is much heavier than the other two. Although, it is accessible, little is known about {Lambda}{sub b}. In 1991, UA1 [1] reconstructed 9 {+-} 1 {Lambda}{sub b} {yields} J/{Psi}{Lambda} candidates. In 1996, ALEPH and DELPHI reconstructed the decay {Lambda}{sub b} {yields} {Lambda}{sub c}{sup +}{pi}{sup -} and found only 3-4 candidates [2, 3]. ALEPH measured a {Lambda}{sub b} mass of 5614 {+-} 21 MeV/c{sup 2}, while DELPHI measured 5668 {+-} 18 MeV/c{sup 2}, about 2 {sigma} higher. Subsequently, CDF-I observed 20 {Lambda}{sub b} {yields} J/{Psi}{Lambda} events [4], confirmed the existence of {Lambda}{sub b} unambiguously …
Date: January 1, 2005
Creator: Yu, Shin-shan
System: The UNT Digital Library
First measurement of the w boson mass with CDF in Run 2 (open access)

First measurement of the w boson mass with CDF in Run 2

This thesis describes a first measurement of the W Boson mass through the decay into a muon and a neutrino in Run 2 of the Tevatron. The W Bosons are produced in proton-antiproton collisions at a center of mass energy of 1.96 TeV. The data sample used for this analysis corresponds to 200 pb{sup -1} recorded by the upgraded Collider Detector at Fermilab. The most important quantity in this measurement is the momentum of the muon measured in a magnetic spectrometer which is calibrated using the two quarkonium resonances J/{Psi} and {Upsilon}(1S). Systematic uncertainties arise from the modeling of the recoil when the W Boson is produced, the momentum calibration, the modeling of W Boson production and decay dynamics and backgrounds. The result is: M{sub W} = 80408 {+-} 50(stat.) {+-} 57(syst.) MeV/c{sup 2}.
Date: October 1, 2005
Creator: Stelzer-Chilton, Oliver & U., /Toronto
System: The UNT Digital Library
First measurement of top quark pair production cross-section in muon plus hadronic tau final states (open access)

First measurement of top quark pair production cross-section in muon plus hadronic tau final states

This dissertation presents the first measurement of top quark pair production cross-section in events containing a muon and a tau lepton. The measurement was done with 1 fb{sup -1} of data collected during April 2002 through February 2006 using the D0 detector at the Tevatron proton-antiproton collider, located at Fermi National Accelerator Laboratory (Fermilab), Batavia, Illinois. Events containing one isolated muon, one tau which decays hadronically, missing transverse energy, and two or more jets (at least one of which must be tagged as a heavy flavor jet) were selected. Twenty-nine candidate events were observed with an expected background of 9.16 events. The top quark pair production cross-section is measured to be {sigma}(t{bar t}) = 8.0{sub -2.4}{sup +2.8}(stat){sub -1.7}{sup +1.8}(syst) {+-} 0.5(lumi) pb. Assuming a top quark pair production cross-section of 6.77 pb for Monte Carlo signal top events without a real tau, the measured {sigma} x BR is {sigma}(t{bar t}) x BR(t{bar t} {yields} {mu} + {tau} + 2{nu} + 2b) = 0.18{sub -0.11}{sup +0.13}(stat){sub -0.09}{sup +0.09}(syst) {+-} 0.01(lumi) pb.
Date: November 1, 2007
Creator: Sumowidagdo, Suharyo
System: The UNT Digital Library
First observation of dijet events with an antiproton tag at s**(1/2) = 1.96 TeV using the D0 Forward Proton Detector (open access)

First observation of dijet events with an antiproton tag at s**(1/2) = 1.96 TeV using the D0 Forward Proton Detector

The Forward Proton Detector (FPD) is a new sub-system of the D0 detector, a 5000 ton particle physics detector located at the Fermilab Tevatron proton-antiproton collider. The FPD was implemented for the Tevatron Run II and gives access to a wide range of diffractive scattering processes, where one or both of the beam particles remain intact. The analysis described in this thesis makes use of the dipole spectrometer of the FPD to tag outgoing antiprotons in events that have a dijet signature in the central D0 calorimeter. Properties of jets with a diffractive tag signature are compared to jets without such a signature yielding the first observation of tagged diffractive dijets at a 1.96 TeV center-of-mass energy.
Date: July 1, 2005
Creator: Strang, Michael Allen
System: The UNT Digital Library
First observation of the Bs->K+K- decay mode, and measurement of the B0 and Bs mesons decay-rates into two-body charmless final states at CDF (open access)

First observation of the Bs->K+K- decay mode, and measurement of the B0 and Bs mesons decay-rates into two-body charmless final states at CDF

The authors searched for decays of the type B{sub (s)}{sup 0} {yields} h{sup +}h{prime}{sup -} (where h, h{prime} = K or {pi}) in a sample corresponding to 180 pb{sup -1} of p{bar p} collisions at {radical}s = 1.96 TeV, collected by the upgraded Collider Detector at the Fermilab Tevatron. A total signal of approximately 900 events was reconstructed, and the relative branching fractions ({Beta}) of each decay mode were determined with a likelihood fit.
Date: November 1, 2006
Creator: Tonelli, Diego & /Pisa, Scuola Normale Superiore
System: The UNT Digital Library
First Principles Calculations for X-ray Resonant Spectra and Elastic Properties (open access)

First Principles Calculations for X-ray Resonant Spectra and Elastic Properties

In this thesis, we discuss applications of first principles methods to x-ray resonant spectra and elastic properties calculation. We start with brief reviews about theoretical background of first principles methods, such as density functional theory, local density approximation (LDA), LDA+U, and the linear augmented plane wave (LAPW) method to solve Kohn-Sham equations. After that we discuss x-ray resonant scattering (XRMS), x-ray magnetic circular dichroism (XMCD) and the branching problem in the heavy rare earths Ledges. In the last chapter we discuss the elastic properties of the second hardest material AlMgB{sub 14}.
Date: May 1, 2006
Creator: Lee, Yongbin
System: The UNT Digital Library
First Results from the Cryogenic Dark Matter Search Experiment at the Deep Site (open access)

First Results from the Cryogenic Dark Matter Search Experiment at the Deep Site

The Cryogenic Dark Matter Search (CDMS) experiment is designed to search for dark matter in the form of the Weakly Interacting Massive Particles (WIMPs). For this purpose, CDMS uses detectors based on crystals of Ge and Si, operated at the temperature of 20 mK, and providing a two-fold signature of an interaction: the ionization and the athermal phonon signals. The two signals, along with the passive and active shielding of the experimental setup, and with the underground experimental sites, allow very effective suppression and rejection of different types of backgrounds. This dissertation presents the commissioning and the results of the first WIMP-search run performed by the CDMS collaboration at the deep underground site at the Soudan mine in Minnesota. We develop different methods of suppressing the dominant background due to the electron-recoil events taking place at the detector surface and we apply these algorithms to the data set. These results place the world's most sensitive limits on the WIMP-nucleon spin-independent elastic-scattering cross-section. Finally, they examine the compatibility of the supersymmetric WIMP-models with the direct-detection experiments (such as CDMS) and discuss the implications of the new CDMS result on these models.
Date: June 1, 2004
Creator: Mandic, Vuk
System: The UNT Digital Library
First search at CDF for the Higgs boson decaying to a W-boson pair in proton-antiproton collisions at the center-of-mass energy of 1.96 TeV (open access)

First search at CDF for the Higgs boson decaying to a W-boson pair in proton-antiproton collisions at the center-of-mass energy of 1.96 TeV

By way of retaining the gauge invariance of the Standard Model (SM) and giving masses to the W{sup {+-}} and Z{sup 0} bosons and the fermions, the Higgs mechanism predicts the existence of a neutral scalar bosonic particle, whose mass is not exactly known. The Higgs boson is the only experimentally unconfirmed SM particle to date. This thesis documents a search for the Higgs boson in p{bar p} collisions at {radical}s = 1.96 TeV at the Tevatron, using 360 {+-} pb {sup -1} data collected by the Run II Collider Detector at Fermilab (CDF II), as part of the most important quest for contemporary particle physicists. The search was for a Higgs boson decaying to a pair of W{sup {+-}} bosons, where each W boson decays to an electron, a muon or a tau that further decays to an electron or a muon with associated neutrinos. Events with two charged leptons plus large missing energy were selected in data triggered on a high p{sub t} lepton and compared to the signal and backgrounds modeled using Monte Carlo and jet data. No signal-like excess was observed in data. Therefore, upper limits on the HWW production cross-section in the analyzed mass range …
Date: December 1, 2006
Creator: Chuang, Shan-Huei S.
System: The UNT Digital Library
Focus on NIF May 2001 (open access)

Focus on NIF May 2001

The National Ignition Facility, a stadium-size, 192-beam laser, is an essential tool for maintaining the safety and reliability of our nuclear weapons, harnessing fusion energy for future generations, and unlocking the origins of the universe. In the FY2001 Energy and Water Appropriations Act (FPN00-48), Congress appropriated $199.1 million for the continued construction of NIF. Immediately, $130 million became available. After March 31, 2001, $69.1 million was to be made available only after Department of Energy certification to Congress regarding six specific points: (1) recommend an appropriate path forward for the project; (2) certify that all established project and scientific milestones are on schedule and cost; (3) conduct 1st and 2nd quarter project reviews in FY01 and determine the project is on schedule and cost; (4) study alternatives to a 192-beam ignition facility for the stockpile stewardship program (SSP); (5) implement an integrated cost-schedule earned-value project control system; and (6) create a five-year budget plan for the SSP.
Date: May 1, 2001
Creator: Warner, B
System: The UNT Digital Library
The Forensic Evaluation of Fracture Marks: A Validation and Experimental Study. (open access)

The Forensic Evaluation of Fracture Marks: A Validation and Experimental Study.

Honors thesis written by a student in the UNT Honors College discussing the examination of fracture marks in forensic investigations in order to determine if two parts of an object belonged to a whole.
Date: May 1, 2007
Creator: Bethune, Sherry
System: The UNT Digital Library
Fragmentation of quark and gluon jets in proton-antiproton collisions at center-of-mass energy of 1.8-TeV (open access)

Fragmentation of quark and gluon jets in proton-antiproton collisions at center-of-mass energy of 1.8-TeV

The author reports the first model independent measurement of charged particle multiplicities in quark and gluon jets, N{sub q} and N{sub g}, produced at the Tevatron in p{bar p} collisions with center-of-mass energy 1.8 TeV and recorded by the Collider Detector at Fermilab. The measurements are made for jets with average energies 41 and 53 GeV by counting charged particle tracks in cones with opening angle of {theta}{sub c} = 0.28, 0.36, and 0.47 rad around the jet axis. The corresponding jet hardness Q = E{sub jet}{theta}{sub c} varies in the range from 12 GeV to 25 GeV. At Q = 19.2 GeV, the ratio of multiplicities r = N{sub g}/N{sub q} is found to be 1.64 {+-} 0.17, where statistical and systematic uncertainties are added in quadrature. The results are in agreement with re-summed perturbative QCD calculations and are consistent with recent e{sup +}e{sup -} measurements.
Date: May 1, 2005
Creator: Pronko, Alexandre P.
System: The UNT Digital Library
From ZZ to ZH : How Low Can These Cross Sections Go or Everybody, Let's Cross Section Limbo! (open access)

From ZZ to ZH : How Low Can These Cross Sections Go or Everybody, Let's Cross Section Limbo!

We report on two searches performed at the D0 detector at the Fermi National Laboratory. The first is a search for Z di-boson production with a theoretical cross section of 1.4 pb. The search was performed on 2.6 fb{sup -1} of data and contributed to the first observation of ZZ production at a hadron collider. The second is a search for a low mass Standard Model Higgs in 4.2 fb{sup -1} of data. The Higgs boson is produced in association with a Z boson where the Higgs decays hadronically and the Z decays to two leptons. The ZZ search was performed in both the di-electron and di-muon channels. For the ZH search, we will focus on the muonic decays where we expanded the traditional coverage by considering events in which one of the two muons fails the selection requirement, and is instead reconstructed as an isolated track. We consider Higgs masses between 100 and 150 GeV, with theoretical cross sections ranging from 0.17 to 0.042 pb, and set upper limits on the ZH production cross-section at 95% confidence level.
Date: August 1, 2009
Creator: Strauss, Emanuel Alexandre
System: The UNT Digital Library
Function and dynamics of aptamers: A case study on the malachite green aptamer (open access)

Function and dynamics of aptamers: A case study on the malachite green aptamer

Aptamers are short single-stranded nucleic acids that can bind to their targets with high specificity and high affinity. To study aptamer function and dynamics, the malachite green aptamer was chosen as a model. Malachite green (MG) bleaching, in which an OH- attacks the central carbon (C1) of MG, was inhibited in the presence of the malachite green aptamer (MGA). The inhibition of MG bleaching by MGA could be reversed by an antisense oligonucleotide (AS) complementary to the MGA binding pocket. Computational cavity analysis of the NMR structure of the MGA-MG complex predicted that the OH{sup -} is sterically excluded from the C1 of MG. The prediction was confirmed experimentally using variants of the MGA with changes in the MG binding pocket. This work shows that molecular reactivity can be reversibly regulated by an aptamer-AS pair based on steric hindrance. In addition to demonstrate that aptamers could control molecular reactivity, aptamer dynamics was studied with a strategy combining molecular dynamics (MD) simulation and experimental verification. MD simulation predicted that the MG binding pocket of the MGA is largely pre-organized and that binding of MG involves reorganization of the pocket and a simultaneous twisting of the MGA terminal stems around the pocket. …
Date: December 1, 2008
Creator: Wang, Tianjiao
System: The UNT Digital Library
Galaxy Evolution Insights from Spectral Modeling of Large Data Sets from the Sloan Digital Sky Survey (open access)

Galaxy Evolution Insights from Spectral Modeling of Large Data Sets from the Sloan Digital Sky Survey

This thesis centers on the use of spectral modeling techniques on data from the Sloan Digital Sky Survey (SDSS) to gain new insights into current questions in galaxy evolution. The SDSS provides a large, uniform, high quality data set which can be exploited in a number of ways. One avenue pursued here is to use the large sample size to measure precisely the mean properties of galaxies of increasingly narrow parameter ranges. The other route taken is to look for rare objects which open up for exploration new areas in galaxy parameter space. The crux of this thesis is revisiting the classical Kennicutt method for inferring the stellar initial mass function (IMF) from the integrated light properties of galaxies. A large data set ({approx} 10{sup 5} galaxies) from the SDSS DR4 is combined with more in-depth modeling and quantitative statistical analysis to search for systematic IMF variations as a function of galaxy luminosity. Galaxy H{alpha} equivalent widths are compared to a broadband color index to constrain the IMF. It is found that for the sample as a whole the best fitting IMF power law slope above 0.5 M{sub {circle_dot}} is {Lambda} = 1.5 {+-} 0.1 with the error dominated by …
Date: October 1, 2007
Creator: Hoversten, Erik A.
System: The UNT Digital Library
Geographical and Temporal Dynamics of Chaetocnema Pulicaria Populations and Their Role in Stewart's Disease of Corn in Iowa (open access)

Geographical and Temporal Dynamics of Chaetocnema Pulicaria Populations and Their Role in Stewart's Disease of Corn in Iowa

This thesis is organized into five chapters. Chapter 1 is the introduction and justification, chapters 2 and 3 are journal papers, chapter 4 is a preliminary analysis of winter environmental variables and their use in forecasting for Stewart's disease of corn, and chapter 5 is general conclusions and discussion. References can be found at the end of each chapter, except chapter 5 and are specific to that chapter.
Date: May 1, 2001
Creator: Esker, Paul David
System: The UNT Digital Library
Global structual optimizations of surface systems with a genetic algorithm (open access)

Global structual optimizations of surface systems with a genetic algorithm

Global structural optimizations with a genetic algorithm were performed for atomic cluster and surface systems including aluminum atomic clusters, Si magic clusters on the Si(111) 7 x 7 surface, silicon high-index surfaces, and Ag-induced Si(111) reconstructions. First, the global structural optimizations of neutral aluminum clusters Al{sub n} (n up to 23) were performed using a genetic algorithm coupled with a tight-binding potential. Second, a genetic algorithm in combination with tight-binding and first-principles calculations were performed to study the structures of magic clusters on the Si(111) 7 x 7 surface. Extensive calculations show that the magic cluster observed in scanning tunneling microscopy (STM) experiments consist of eight Si atoms. Simulated STM images of the Si magic cluster exhibit a ring-like feature similar to STM experiments. Third, a genetic algorithm coupled with a highly optimized empirical potential were used to determine the lowest energy structure of high-index semiconductor surfaces. The lowest energy structures of Si(105) and Si(114) were determined successfully. The results of Si(105) and Si(114) are reported within the framework of highly optimized empirical potential and first-principles calculations. Finally, a genetic algorithm coupled with Si and Ag tight-binding potentials were used to search for Ag-induced Si(111) reconstructions at various Ag and …
Date: May 1, 2005
Creator: Chuang, Feng-Chuan
System: The UNT Digital Library