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 20 of 39 for “"Geometry Optimization"”.
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Efficient and Robust ADMM Methods for Dynamics and Geometry Optimization
… to dissipative forces. Second, in the field of geometry optimization we introduce a new algorithm for quasi-static deformation and surface parameterization. In each of these applications our proposed methods robustly converge to accurate solutions, and do so faster than existing algorithms. We …
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OSCILLATING SURGE WAVE ENERGY CONVERTER GEOMETRY OPTIMIZATION FOR DIRECT SEAWATER DESALINATION
Having a reliable supply of fresh water is a problem that affects nations around the world. Saltwater desalination is one of the best methods for fulfilling this need, but it is an energy-intensive process that is expensive to maintain. Wave energy can be utilized to increase the efficiency of …
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Geometry optimization of dry ice blasting nozzle for the noise reduction using experimental validation
… and particle inlet angle. The optimum nozzle geometry is fabricated and validated throughout the experimental study on the effect of the impact force and sound pressure level for different pressures. The result shows that the optimum DIB nozzle geometry that satisfy the research objectives for …
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Simulation-guided lattice geometry optimization of a lightweight metal marine propeller for additive manufacturing
… to the Finite Element Analysis (FEA) based optimization utility in Autodesk® Netfabb Ultimate, in order to identify the optimum lattice geometry for this application. The design limitations were dictated by the material (316SL stainless steel), the metal additive manufacturing process, and …
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Density Functional Theory Study of Rutile SiO₂ Stishovite: An Electron Pair Description of Bulk and Surface Properties
… fluoride was studied on the (110) surface. The geometry optimized and electronic structure have been found for various initial geometries. Relaxed structures of certain initial geometries give dissociated hydrogen fluoride upon geometry optimization.
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Quantum Crystallography of Hydronium Cations
… aggregates, were investigated further by geometry optimization and in some cases with the Quantum Theory of Atoms in Molecules (QTAIM). The results of our investigations yielded the first reports of stable conformations of cyclic dihydronium cationic clusters. In a second investigation we …
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(1) Artificial Synovial Fluid and Cartilage. (2) Non-Manumitative GD3+ Hosts as MRI Contrast Agents. (3) Five-Member Heterocycles as Switchable Ferromagnetic Coupling Units. (4) Liquid Crystal Opto-Optical Switch: Non-Destructive Information Retrieval Based on a Photochromic Fulgide as Trigger
… as new ferromagnetic coupling units. Full geometry optimization of structures with heteroatoms ranging from Be to O and from Mg to S at the CASSCF level with energy calculation at the MCQPDT2 level allowed for the discovery of four triplet ground state 2,5-dimethylene heterocycles. The …
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Development of an efficient 3-D CFD software to simulate and visualize the scavenging of a two-stroke engine
… opportunity to improve the exhaust data by geometry optimization. <br>Therefore, we developed a software package to efficiently simulate the three-dimensional, time-dependent, Navier-Stokes equations within the complex, real-world geometry of the two-stroke engine with moving piston and …
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Characterization, stability, and transport through defects in graphene nanoribbons
… Our study is based on ab initio geometry optimization and electronic structure calculations. We determine which defects can be stable in graphene nanoflakes and/or GNRs, by calculating the corresponding vibration modes. We further investigate how the presence of defects would …
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Definitions of robust structural geometries : metrics and form finding
… form; in other words, as a function of topology, geometry and member properties. This thesis investigates the relationship between both a structure's geometry and topology, and robustness. Two quantitative metrics are proposed to quantify a structure's robustness as a function of geometry. The …
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Constrained Density-Functional Theory--Configuration Interaction
… ordinary DFT. The analytical gradients enabled optimization of reaction transition-state structures, as well as geometry optimization on electronic excited states, with good results.
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Development of pharmacophore and CoMFA studies for sigma2 receptor ligands
… These methods run in Gaussian 98 determined the geometry optimization and electrostatic charges for each molecule. CoMFA maps were developed using SYBYL ver. 7.2 to compare the electrostatic and steric properties of each calculation and molecule. With "leave-one-out" cross validation, the numbers …
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Geometrical optimization of arched structures under stochastic loading
… under unpredictable loading scenarios. A frame geometry optimization derivation is presented that demonstrates the relationship between certain unpredicted loads and an equivalent guaranteed loading condition that is more easily solvable through standard equilibrium analysis. The relationship is …
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A comprehensive ab initio study of gallium and arsenic containing molecules
… using analytic energy gradients for rapid geometry optimization. In addition, the SCF results are compared with theoretical predictions obtained at the coupled cluster level of theory including all single and double excitations, (CCSD). The precursors to the formation of GaAs, arsine and …
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Development of pharmacophore and comfa study of rigid and flexible sigma 2 receptor ligands
… using various levels of calculations. The geometry optimization and electrostatic charges of all 26 molecules were performed by using semiemprical AM1, ab initio HF/6-31G* and density functional B3LYP/6-31G* in Gaussian 98. The pharmacophore model was derived by using Distance Comparisions …
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Co-design Investigation and Optimization of an Oscillating-Surge Wave Energy Converter
… the interconnectedness of subsystems such as the geometry, power take-off, and controls is necessary. A codesign optimization in this paper seeks to include effects of all subsystems within one optimization loop in order to reach a fully optimal design for an oscillating-surge wave energy …
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Robust design and tolerancing of compressor blades
Variations in the geometry of compressor blades can be introduced by variability in the manufacturing process or by in-service erosion. Recent research efforts have focused on characterizing the impacts of this geometric variability on turbomachinery performance and designing blade geometries whose …
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Stock-constrained design of pseudo-standard walls from studs off-cuts
… a topdown and stock-constrained design approach, geometry optimization through a matching algorithm is combined with topology optimization to generate and evaluate various configurations to minimize new emissions and maximize structural efficiency. A human-scale prototype further assesses costs, …
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USING COMPUTATIONAL METHODS TO OPTIMIZE HIGH HEAT FLUX COMPONENT THERMAL PERFORMANCE IN MAGNETIC CONFINEMENT FUSION REACTOR RESEARCH
… work examines heat transfer enhancement and rib geometry optimization to support experimental research for nuclear fusion applications. The project begins by designing and analyzing test sections supporting a helium flow loop assembled at Oak Ridge National Laboratory to analyze heat transfer …
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Geometrically Programmed Nano-Resistors for Ultra-Robust Artificial Neural Network Accelerator
… of nano-resistor was realized by channel geometry optimization and thermodynamically stable material, while SoC imcompatible programming in NVM devices is omited. To evaluate the computing performance, experimental vector-matrix multiplication (NVM) operation were performed, showing 5-bit …
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