Using Remote Sensing and Spatial Information Technologies to Detect and Map Two Aquatic Macrophytes

This paper describes the light reflectance characteristics ofwaterhyacinth [Eichhornia crassipes (Mort.) Solms] and hydrilla [Hydrilla verticillata (L.F.) Royle] and the application of airborned videography with global positioning system (GPS) and geographic information system (GIS) technologies for distinguishing and mapping the distribution of these two aquatic weeds in waterways of southern Texas. Field reflectance measurements made at several locations showed that waterhyacinth generally had higher near-infrared (NIR) reflectance than associated plant species and water. Hydrilla had lower NIR reflectance than associated plant species and higher NIR reflectance than water. Reflectance measurements made on hydrilla plants submerged below the water surface had similar spectral characteristics to water. Waterhyacinth and hydrilla could be distinguished in color-infrared (CIR) video imagery where they had bright orange-red and reddish-brown image responses, respectively. Computer analysis of the imagery showed that waterhyacinth and hydrilla infestaions could be quantified. An accuracy assessment performed on the classified image showed an overall accuracy of 87.7%. Integration of the GPS with the video imagery permitted latitude/longitude coordinates of waterhyacinth and hydrilla infestation to be recorded on each image. A portion of the Rio Grande River in extreme southern Texas was flown with the video system to detect waterhyacinth and hydrilla infestaions. The GPS coordinates on the CIR video scenes depicting waterhyacinth and hydrilla infestations were entered into a GIS to map the distribution of these two noxious weeds in the Rio Grande River.

An Instrumented Indentation Method for Young's Modulus Measurement with Accuracy Estimation

The relationships between indentation responses and Young's modulus of an indented material were investigated by employing dimensional analysis and finite element method. Three representative tip bluntness geometries were introduced to describe the shape of a real Berkovich indenter. It was demonstrated that for each of these bluntness geometries, a set of approximate indentation relationships correlating the ratio of nominal hardness/reduced Young's modulus H (n) /E (r) and the ratio of elastic work/total work W (e)/W can be derived. Consequently, a method for Young's modulus measurement combined with its accuracy estimation was established on basis of these relationships. The effectiveness of this approach was verified by performing nanoindentation tests on S45C carbon steel and 6061 aluminum alloy and microindentation tests on aluminum single crystal, GCr15 bearing steel and fused silica.

A short training program improves the accuracy of portion-size estimates in future dietitians

[EN] The objective of this study was to determine whether a short training program, using real foods, would decreased their portion-size estimation errors after training. 90 student volunteers (20.18±0.44 y old) of the University of the Basque Country (Spain) were trained in observational techniques and tested in food-weight estimation during and after a 3-hour training period. The program included 57 commonly consumed foods that represent a variety of forms (125 different shapes). Estimates of food weight were compared with actual weights. Effectiveness of training was determined by examining change in the absolute percentage error for all observers and over all foods over time. Data were analyzed using SPSS vs. 13.0. The portion-size errors decreased after training for most of the foods. Additionally, the accuracy of their estimates clearly varies by food group and forms. Amorphous was the food type estimated least accurately both before and after training. Our findings suggest that future dietitians can be trained to estimate quantities by direct observation across a wide range of foods. However this training may have been too brief for participants to fully assimilate the application.

The accuracy of Kirchhoff's approximation in describing the far field speckles produced by random self-affine fractal surfaces

Based on the rigorous formulation of integral equations for the propagations of light waves at the medium interface, we carry out the numerical solutions of the random light field scattered from self-affine fractal surface samples. The light intensities produced by the same surface samples are also calculated in Kirchhoff's approximation, and their comparisons with the corresponding rigorous results show directly the degree of the accuracy of the approximation. It is indicated that Kirchhoff's approximation is of good accuracy for random surfaces with small roughness value w and large roughness exponent alpha. For random surfaces with larger w and smaller alpha, the approximation results in considerable errors, and detailed calculations show that the inaccuracy comes from the simplification that the transmitted light field is proportional to the incident field and from the neglect of light field derivative at the interface.

Studies in nuclear reactor dynamics : I. The accuracy of point kinetics. II. The effect of delayed neutrons on the spectrum of the group-diffusion operator

This thesis is a theoretical work on the space-time dynamic behavior of a nuclear reactor without feedback. Diffusion theory with G-energy groups is used.

In the first part the accuracy of the point kinetics (lumped-parameter description) model is examined. The fundamental approximation of this model is the splitting of the neutron density into a product of a known function of space and an unknown function of time; then the properties of the system can be averaged in space through the use of appropriate weighting functions; as a result a set of ordinary differential equations is obtained for the description of time behavior. It is clear that changes of the shape of the neutron-density distribution due to space-dependent perturbations are neglected. This results to an error in the eigenvalues and it is to this error that bounds are derived. This is done by using the method of weighted residuals to reduce the original eigenvalue problem to that of a real asymmetric matrix. Then Gershgorin-type theorems .are used to find discs in the complex plane in which the eigenvalues are contained. The radii of the discs depend on the perturbation in a simple manner.

In the second part the effect of delayed neutrons on the eigenvalues of the group-diffusion operator is examined. The delayed neutrons cause a shifting of the prompt-neutron eigenvalue s and the appearance of the delayed eigenvalues. Using a simple perturbation method this shifting is calculated and the delayed eigenvalues are predicted with good accuracy.

First principles based multiparadigm modeling of electronic structures and dynamics

Electronic structures and dynamics are the key to linking the material composition and structure to functionality and performance.

An essential issue in developing semiconductor devices for photovoltaics is to design materials with optimal band gaps and relative positioning of band levels. Approximate DFT methods have been justified to predict band gaps from KS/GKS eigenvalues, but the accuracy is decisively dependent on the choice of XC functionals. We show here for CuInSe₂ and CuGaSe₂, the parent compounds of the promising CIGS solar cells, conventional LDA and GGA obtain gaps of 0.0-0.01 and 0.02-0.24 eV (versus experimental values of 1.04 and 1.67 eV), while the historically first global hybrid functional, B3PW91, is surprisingly the best, with band gaps of 1.07 and 1.58 eV. Furthermore, we show that for 27 related binary and ternary semiconductors, B3PW91 predicts gaps with a MAD of only 0.09 eV, which is substantially better than all modern hybrid functionals, including B3LYP (MAD of 0.19 eV) and screened hybrid functional HSE06 (MAD of 0.18 eV).

The laboratory performance of CIGS solar cells (> 20% efficiency) makes them promising candidate photovoltaic devices. However, there remains little understanding of how defects at the CIGS/CdS interface affect the band offsets and interfacial energies, and hence the performance of manufactured devices. To determine these relationships, we use the B3PW91 hybrid functional of DFT with the AEP method that we validate to provide very accurate descriptions of both band gaps and band offsets. This confirms the weak dependence of band offsets on surface orientation observed experimentally. We predict that the CBO of perfect CuInSe₂/CdS interface is large, 0.79 eV, which would dramatically degrade performance. Moreover we show that band gap widening induced by Ga adjusts only the VBO, and we find that Cd impurities do not significantly affect the CBO. Thus we show that Cu vacancies at the interface play the key role in enabling the tunability of CBO. We predict that Na further improves the CBO through electrostatically elevating the valence levels to decrease the CBO, explaining the observed essential role of Na for high performance. Moreover we find that K leads to a dramatic decrease in the CBO to 0.05 eV, much better than Na. We suggest that the efficiency of CIGS devices might be improved substantially by tuning the ratio of Na to K, with the improved phase stability of Na balancing phase instability from K. All these defects reduce interfacial stability slightly, but not significantly.

A number of exotic structures have been formed through high pressure chemistry, but applications have been hindered by difficulties in recovering the high pressure phase to ambient conditions (i.e., one atmosphere and room temperature). Here we use dispersion-corrected DFT (PBE-ulg flavor) to predict that above 60 GPa the most stable form of N₂O (the laughing gas in its molecular form) is a 1D polymer with an all-nitrogen backbone analogous to cis-polyacetylene in which alternate N are bonded (ionic covalent) to O. The analogous trans-polymer is only 0.03-0.10 eV/molecular unit less stable. Upon relaxation to ambient conditions both polymers relax below 14 GPa to the same stable non-planar trans-polymer, accompanied by possible electronic structure transitions. The predicted phonon spectrum and dissociation kinetics validate the stability of this trans-poly-NNO at ambient conditions, which has potential applications as a new type of conducting polymer with all-nitrogen chains and as a high-energy oxidizer for rocket propulsion. This work illustrates in silico materials discovery particularly in the realm of extreme conditions.

Modeling non-adiabatic electron dynamics has been a long-standing challenge for computational chemistry and materials science, and the eFF method presents a cost-efficient alternative. However, due to the deficiency of FSG representation, eFF is limited to low-Z elements with electrons of predominant s-character. To overcome this, we introduce a formal set of ECP extensions that enable accurate description of p-block elements. The extensions consist of a model representing the core electrons with the nucleus as a single pseudo particle represented by FSG, interacting with valence electrons through ECPs. We demonstrate and validate the ECP extensions for complex bonding structures, geometries, and energetics of systems with p-block character (C, O, Al, Si) and apply them to study materials under extreme mechanical loading conditions.

Despite its success, the eFF framework has some limitations, originated from both the design of Pauli potentials and the FSG representation. To overcome these, we develop a new framework of two-level hierarchy that is a more rigorous and accurate successor to the eFF method. The fundamental level, GHA-QM, is based on a new set of Pauli potentials that renders exact QM level of accuracy for any FSG represented electron systems. To achieve this, we start with using exactly derived energy expressions for the same spin electron pair, and fitting a simple functional form, inspired by DFT, against open singlet electron pair curves (H₂ systems). Symmetric and asymmetric scaling factors are then introduced at this level to recover the QM total energies of multiple electron pair systems from the sum of local interactions. To complement the imperfect FSG representation, the AMPERE extension is implemented, and aims at embedding the interactions associated with both the cusp condition and explicit nodal structures. The whole GHA-QM+AMPERE framework is tested on H element, and the preliminary results are promising.

General-domain compressible Navier-Stokes solvers exhibiting quasi-unconditional stability and high-order accuracy in space and time

This thesis presents a new class of solvers for the subsonic compressible Navier-Stokes equations in general two- and three-dimensional spatial domains. The proposed methodology incorporates: 1) A novel linear-cost implicit solver based on use of higher-order backward differentiation formulae (BDF) and the alternating direction implicit approach (ADI); 2) A fast explicit solver; 3) Dispersionless spectral spatial discretizations; and 4) A domain decomposition strategy that negotiates the interactions between the implicit and explicit domains. In particular, the implicit methodology is quasi-unconditionally stable (it does not suffer from CFL constraints for adequately resolved flows), and it can deliver orders of time accuracy between two and six in the presence of general boundary conditions. In fact this thesis presents, for the first time in the literature, high-order time-convergence curves for Navier-Stokes solvers based on the ADI strategy---previous ADI solvers for the Navier-Stokes equations have not demonstrated orders of temporal accuracy higher than one. An extended discussion is presented in this thesis which places on a solid theoretical basis the observed quasi-unconditional stability of the methods of orders two through six. The performance of the proposed solvers is favorable. For example, a two-dimensional rough-surface configuration including boundary layer effects at Reynolds number equal to one million and Mach number 0.85 (with a well-resolved boundary layer, run up to a sufficiently long time that single vortices travel the entire spatial extent of the domain, and with spatial mesh sizes near the wall of the order of one hundred-thousandth the length of the domain) was successfully tackled in a relatively short (approximately thirty-hour) single-core run; for such discretizations an explicit solver would require truly prohibitive computing times. As demonstrated via a variety of numerical experiments in two- and three-dimensions, further, the proposed multi-domain parallel implicit-explicit implementations exhibit high-order convergence in space and time, useful stability properties, limited dispersion, and high parallel efficiency.

Avaliação da fidelidade da referência externa em tecidos moles na cirurgia ortognática da maxila

Esse trabalho teve o objetivo de analisar a fidelidade da referência externa em tecidos moles no auxílio do posicionamento vertical da maxila. Foram selecionados 40 pacientes portadores de deformidade dentofacial e submetidos à osteotomia total da maxila. Os indivíduos foram divididos em 2 grupos no intuíto de avaliar duas técnicas de referência externa: a utilização da sutura em tecidos moles e o uso do fio de Kirschner. Esta última foi utilizada como a técnica do grupo-controle. Os dados foram colhidos em duas fases. Na primeira delas, foi realizada a mensuração da posição vertical da maxila antes da osteotomia Le Fort I e após a fixação da maxila, utilizando a referência externa. A partir desses números, foi obtida a alteração vertical de cada caso, colhida durante a cirurgia. Na segunda fase da coleta de dados, foram realizadas mensurações verticais da maxila baseadas nas radiografias cefalométricas pré e pós-operatórias. Assim, foi obtido o valor da alteração vertical de cada caso, baseado na documentação radiográfica. Após esta etapa, foi calculada a diferença entre a alteração vertical obtida durante a cirurgia e a alteração vertical colhida a partir das radiografias. Dessa forma, foram obtidos valores que correspondem às imperfeições no posicionamento vertical da maxila de cada paciente, tendo como base a posição do incisivo central superior. Os resultados foram comparados e analisados estatisticamente. A média aritmética da precisão no posicionamento vertical da maxila no grupo-controle foi de 0,52mm e do grupo da referência em tecidos moles foi de 0,65mm. A aplicação do teste t de Student a 5% revelou que não houve diferença estatística significativa entre o grau de precisão das duas técnicas de referência externa (P=0,429). Como conclusão, observou-se que as duas técnicas foram eficazes no auxílio ao posicionamento vertical da maxila e que a referência externa em tecidos moles apresentou um grau de precisão semelhante ao valor obtido com a técnica do fio de Kirschner.

A high accuracy image sensor for sinusoidal phase-modulating interferometry

We proposed a high accuracy image sensor technique for sinusoidal phase-modulating interferometer in the field of the surface profile measurements. It solved the problem of the CCD's pixel offset of the same column under two adjacent rows, eliminated the spectral leakage, and reduced the influence of external interference to the measurement accuracy. We measured the surface profile of a glass plate, and its repeatability precision was less than 8 nm and its relative error was 1.15 %. The results show that it can be used to measure surface profile with high accuracy and strong anti-interference ability. (C) 2007 Elsevier GmbH. All rights reserved.

In situ surface topography measurement method of granite base in scanning wafer stage with laser interferometer

Topography of a granite surface has an effect on the vertical positioning of a wafer stage in a lithographic tool, when the wafer stage moves on the granite. The inaccurate measurement of the topography results in a bad leveling and focusing performance. In this paper, an in situ method to measure the topography of a granite surface with high accuracy is present. In this method, a high-order polynomial is set up to express the topography of the granite surface. Two double-frequency laser interferometers are used to measure the tilts of the wafer stage in the X- and Y-directions. From the sampling tilts information, the coefficients of the high-order polynomial can be obtained by a special algorithm. Experiment results shows that the measurement reproducibility of the method is better than 10 nm. (c) 2006 Elsevier GmbH. All rights reserved.