I [Mattson, Journal of Scientific Computing 51.3 (2012), s. 650–682] konstruerades partialsummeringsoperatorer för finita differensapproximationer av andraderivator med variabla koefficienter. Vi tillämpar framgångsrikt dessa operatorer på vågekvationen i två dimensioner med diskontinuerliga koefficienter, utan särskild behandling av diskontinuiteten. Närmare bestämt undersöks (i) operatorernas fel och konvergensordning relativt ”korrekt” hantering av diskontinuiteter genom blockuppdelning med kopplingstermer; (ii) ifall mycket komplicerade koefficienter orsakar instabilitet eller icke-fysikaliska fel. Vi visar att hoppet i våghastighet i simuleringen sker ett antal punkter ifrån hoppet i koefficienter, där antalet punkter beror på operatorernas ordning och storleken av hoppet i koefficienter. I (i) får dessa två faktorer plus blockets form och antalet punkter en stor påverkan på både storleken av felet, samt metodens konvergensordning som varierar från ca 1–2,5. Annars sker i både (i) och (ii) inget större icke-fysikaliskt fel eller instabilitet, vilket gör denna relativt enkla metod tillämpningsbar på komplexa verklighetsbaserade problem.

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High entropy alloys (HEAs), also referred to as complex concentrated alloys (CCAs), are a relatively new class of alloys that have gained significant attention since 2010 due to their unique balance of properties that include high strength, ductility and excellent corrosion resistance. HEAs are usually based on five or more elements alloyed in near equimolar concentrations, and exhibit simple microstructures by the formation of solid solution phases instead of complex compounds. HEAs have great potential in the design of new materials; for instance, for lightweight structural applications and elevated temperature applications. The relation between grain size and yield strength has been a topic of significant interest not only to researchers but also for industrial applications. Though some research papers have been published in this area, consensus among them is lacking, as the studies yielded different results. Al atom being a large atom causes significant lattice distortion. This work attempts to study the Hall-Petch relationship for Al0.3CoFeNi and Al0.3CoCrFeNi and to compare the data of friction stress σ0 and Hall-Petch coefficient K with published data. The base alloys for both these alloys are CoFeNi and CoCrFeNi respectively. It was observed by atom probe tomography (APT) that clustering of Al-Ni atoms in these two base CCAs was responsible for imparting such high values of K. Additionally the high value of K in the CoCrFeNi HEA can also be attributed to the presence of Co-Cr clusters.

The next generation of Autonomous Underwater Vehicles (AUV) can impact our observation of the world. The flight simulation and full-envelope hydrodynamics modeling can improve the performance of AUVs in terms of control, navigation and positioning. In order to achieve agile maneuverability, a more accurate database of full-envelope hydrodynamic coefficients is supposed to be generated. Two semi-empirical methods, Jorgensen and DATCOM, and two numerical method, Computational Fluid Dynamics (CFD) and XFLR5 are used to push the boundaries of hydrodynamic coefficients: lift, drag and moment coefficients for flight-style AUVs at the Swedish Maritime Robotics Center (SMaRC). A comparison of different approaches and tools, and an analysis of the most appropriate approaches for different regions of a defined maneuver has been conducted in this thesis. A data confidence level was proposed as a way to estimate the accuracy of the data and a structured database was built in terms of data confidence level. Different components of the AUV such as the hull body and wings were analyzed separately. The new database is input to a 3DOF Simulink model and the 6DOF SMaRC hydrobatics simulator for flight dynamics simulations. Simulations show that the new database has a good applicability.

Values of the rate constant for the alkaline hydrolysis of methyl acetate in various aqueous-organic solvent mixtures (dimethyl sulfoxide 0<x40.2, dioxane 0 <, x., < 0.2, methyl ethyl ketone 0<x<0.06 and diglyme, i. e. ether-bis (2-methyloxethyl) 0x<0.10) have been determined for the temperatures 15 0 C, 25 0C and 35 0C conductometrically. To interpret these results the approach adapted is to experimentally determine the activity coefficient of the ester (YE ) and the activity of the water (aH20', mechanistically, at least one molecule of water is involved in the rate-determining step) and then to use the Bronsted-Bjerrum equation to determine the residual activity coefficient ratio of the participating ions, y (Yf - for Oil the transition state). Values of YE and aH 20 have been determined by a transpiration method, using gas-chromatographic analysis of the vapours of solutions of methyl acetate in aqueous-organic solvent mixtures of dir. ethyl sulfoxide, dioxane, methyl ethyl ketone and diglyme in the same composition ranges as above, tetrahydrofuran 04x org z<, 0.15, methanol, ethanol and tert-butanol in t1h6e range 04x0.20'at 25oC. These results indicate that on changing org the solvent composition YE varies by a larger factor than is predicted for the ratio YOH-/yýO_ by the Debye-Iluckel approach, and hence is the dominant factor in determining the effects of solvent composition on the rates of the hydrolysis. This is in contradiction to the assumptions of the electrostatic theories of Laidler and Eyring, and of Amis and Jaffe. The gas-chromatographic results also indicate that whilst the concentration of the water varies in each mixture studied, the activity coefficient varies in the opposite way to produce almost constant values of aý, 0* Using the transpiratioii/gas-chromatogralýlic method, the thermodynamic properties of the ternary systems, methyl acetate-water-organic Solvcat, using the organic solvents mentioned above (excepting, diglyme) have been investigated, and the results indicate that the variation of *ýE with solvent composition, for the dilute solutions of ester used, can be estimated from the thermodynamic properties of the binary water-organic solvent mixtures, using the Gibbs-Dahem equation. Single ion activity coefficients in the literature for small negative ions, to represent the OH_ ion, and for large ions, to rep-resent the transition state ion, have been used to explain the experimentally fomd variation of the residual activity coefficient -ratio with solvent composition. Hence, it is concluded that the importance of the parameters involved in the hydrolysis of esters - an ion-molecule reaction - in aqueousorganic solvent mixtures are in the order of Ymolecule > aH 20> YOH_/YM+ -> (dielectric constant), and that the nonelectrostatic effects -- thermodynamic effects - are more important in these studies than the electrostatic effects. From a preliminary investigation of the data in the literature the thermodynamic approach also yields a valid interpretation of the effect of solvent composition on the rates of the acid hydrolysis of esters. / Ministry of Science and Higher Education of Iran

<p> Reflection and heating coefficients were measured during the 3 month summer season at Simcoe, southern Ontario. Contrasting agricultural surfaces and atmospheric conditions were used to analyse their effect on the reflection and heating coefficients. The results confirm the postulate of Montieth (1959a) that <alpha> is close to 0.25 for many vegetated surfaces. <beta> values were positive and there was a tendency for <beta> to approximate 0.22 for many of the vegetated surfaces. Finally it was shown that the radiation balance equation for Simcoe can be generalized into a linear function of solar radiation using the same constants that are applicable to many areas in the world. </p> / Thesis / Master of Arts (MA)

No / We describe the Δlog P method for the assessment of intramolecular hydrogen bonds (IMHBs), and show that it is not a very general method of distinguishing between molecules in which there is an IMHB and molecules in which there is no IMHB. The ‘double’ Δlog P method of Shalaeva et al. is a much more reliable method for the assessment of IMHB but requires the synthesis of a model compound and the determination of no less than four water-solvent partition coefficients. In addition, it is difficult to apply to compounds that contain more than one hydrogen bond acidic group capable of IMHB. We then describe our NMR method of assessing IMHB, based on 1H NMR chemical shifts in solvents DMSO and CDCl3. We have determined 1H NMR chemical shifts for a number of ortho-substituted anilines and show that the only compound we have studied that forms an IMHB is methyl 2-methylaminobenzoate though there is no IMHB present in methyl 2-aminobenzoate. This apparently anomalous result is supported by both MM and ab initio calculations. The NMR method is much simpler and less time consuming than other methods for the assessment of IMHB. It provides a quantitative assessment of IMHB and can be applied to molecules with more than one hydrogen bond acidic group.

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Yes / We describe the Δlog P method for the assessment of intramolecular hydrogen bonds (IMHBs), and show that it is not a very general method of distinguishing between molecules in which there is an IMHB and molecules in which there is no IMHB. The ‘double’ Δlog P method of Shalaeva et al. is a much more reliable method for the assessment of IMHB but requires the synthesis of a model compound and the determination of no less than four water-solvent partition coefficients. In addition, it is difficult to apply to compounds that contain more than one hydrogen bond acidic group capable of IMHB. We then describe our NMR method of assessing IMHB, based on 1H NMR chemical shifts in solvents DMSO and CDCl3. We have determined 1H NMR chemical shifts for a number of ortho-substituted anilines and show that the only compound we have studied that forms an IMHB is methyl 2-methylaminobenzoate though there is no IMHB present in methyl 2-aminobenzoate. This apparently anomalous result is supported by both MM and ab initio calculations. The NMR method is much simpler and less time consuming than other methods for the assessment of IMHB. It provides a quantitative assessment of IMHB and can be applied to molecules with more than one hydrogen bond acidic group.