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Results for “Design optimization”
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Design and optimization of automotive thermoelectric generators for maximum fuel efficiency improvement
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Designing Pareto optimal electricity retail rates when utility customers are prosumers
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PyApprox: A software package for sensitivity analysis, Bayesian inference, optimal experimental design, and multi-fidelity uncertainty quantification and surrogate modeling
PyApprox is a Python-based one-stop-shop for probabilistic analysis of numerical models such as those used in the earth, environmental and engineering sciences. Easy to use and extendable tools are provided for constructing surrogates, sensitivity analysis, Bayesian inference, experimental design, and forward uncertainty quantification. The algorithms implemented represent a wide range of methods for model analysis developed over the past two decades, including recent advances in multi-fidelity approaches that use multiple model discretizations and/or simplified physics to significantly reduce the computational cost of various types of analyses. An extensive set of Benchmarks from the literature is also provided to facilitate the easy comparison of new or existing algorithms for a wide range of model analyses. Here, this paper introduces PyApprox and its various features, and presents results demonstrating the utility of PyApprox on a benchmark problem modeling the advection of a tracer in groundwater.
An innovative radial gradient material design using hot isostatic pressing for applications in extreme environments
Functionally graded materials (FGMs) are highly advanced continuous or discontinuous structures whose structural and material properties vary along a singular geometric dimension either in the axial or radial direction. Here, the radial gradient FGM design makes for an optimal structural design to incorporate a bi-metallic structure with a copper-based high entropy alloy (Cu-HEA) with good mechanical properties and high irradiation resistance, and Chromium (Cr) with great corrosion resistance. This study focuses on the experimental design of a metal powder loading mechanism to fabricate a bi-metallic radial gradient structure using Cu-HEA and 99.9 % pure Cr metal powders. The powder loading strategy uses custom-designed concentric cylindrical dividers to separate the individual compositions. Two benchtop trial runs were performed for design optimization. The optimized design was then implemented to eventually load the HEA and Cr powders for consolidation via powder metallurgy hot isostatic pressing (PM-HIP). The electron microscopy analysis reveals the successful fabrication of the radial gradient structure with the chemical mapping analysis, demonstrating the gradual composition shift from the HEA at the center to the pure-Cr at the periphery via a three-step gradient.
Design and optimization of THz coupling in zirconia MAS rotors for dynamic nuclear polarization NMR
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A strategic approach for efficient cryo-EM grid optimization using design of experiments
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Design and optimization of stepped austempered ductile iron using characterization techniques
Conventional characterization techniques such as dilatometry, X-ray diffraction and metallography were used to select and optimize temperatures and times for conventional and stepped austempering. Austenitization and conventional austempering time was selected when the dilatometry graphs showed a constant expansion value. A special heat color-etching technique was applied to distinguish between the untransformed austenite and high carbon stabilized austenite which had formed during the treatments. Finally, it was found that carbide precipitation was absent during the stepped austempering in contrast to conventional austempering, on which carbide evidence was found. - Highlights: • Dilatometry helped to establish austenitization and austempering parameters. • Untransformed austenite was present even for longer processing times. • Ausferrite formed during stepped austempering caused important reinforcement effect. • Carbide precipitation was absent during stepped treatment.
Control co-design and optimization of oscillating-surge wave energy converter
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Rational Design and Optimization of a Novel Class of Macrocyclic Apoptosis Signal-Regulating Kinase 1 Inhibitors
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High-Resolution Structure of ClpC1-Rufomycin and Ligand Binding Studies Provide a Framework to Design and Optimize Anti-Tuberculosis Leads
Addressing the urgent need to develop novel drugs against drug-resistant Mycobacterium tuberculosis (M. tb) strains, ecumicin (ECU) and rufomycin I (RUFI) are being explored as promising new leads targeting cellular proteostasis via the caseinolytic protein ClpC1. Details of the binding topology and chemical mode of (inter)action of these cyclopeptides help drive further development of novel potency-optimized entities as tuberculosis drugs. ClpC1 M. tb protein constructs with mutations driving resistance to ECU and RUFI show reduced binding affinity by surface plasmon resonance (SPR). Despite certain structural similarities, ECU and RUFI resistant mutation sites did not overlap in their SPR binding patterns. SPR competition experiments show ECU prevents RUFI binding, whereas RUFI partially inhibits ECU binding. The X-ray structure of the ClpC1-NTD-RUFI complex reveals distinct differences compared to the previously reported ClpC1-NTD-cyclomarin A structure. Surprisingly, the complex structure revealed that the epoxide moiety of RUFI opened and covalently bound to ClpC1-NTD via the sulfur atom of Met1. Furthermore, RUFI analogues indicate that the epoxy group of RUFI is critical for binding and bactericidal activity. Overall, the outcomes demonstrate the significance of ClpC1 as a novel target and the importance of SAR analysis of identified macrocyclic peptides for drug discovery.
Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure–Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies
Norovirus infection constitutes the primary cause of acute viral gastroenteritis. There are currently no vaccines or norovirus-specific antiviral therapeutics available for the management of norovirus infection. Norovirus 3C-like protease is essential for viral replication, consequently, inhibition of this enzyme is a fruitful avenue of investigation that may lead to the emergence of antinorovirus therapeutics. We describe herein the optimization of dipeptidyl inhibitors of norovirus 3C-like protease using iterative SAR, X-ray crystallographic, and enzyme and cell-based studies. We also demonstrate herein in vivo efficacy of an inhibitor using the murine model of norovirus infection.
Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors
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Design and optimization of high temperature optocouplers as galvanic isolation
The commercial InGaN-based (blue and green) and AlGaInP-based (red) multiple quantum well (MQW) lighting emitting diodes (LEDs) were studied in a wide range of temperatures up to 800 K for their light emission and detection (i.e., LEDs operated under reverse bias as photodiodes (PDs)) characteristics. The results indicate the feasibility of integrating a pair of selected LEDs to fabricate high temperature (HT) optocouplers, which can be utilized as galvanic isolation to replace the bulky isolation transforms in the high-density power modules. A detailed study on LEDs and PDs were performed. The external quantum efficiency (EQE) of the LED and PDs were calculated. Higher relative external quantum efficiency (EQE) and lower efficiency droops with temperatures are obtained from the blue and green LEDs for display compared with the blue one for lighting and red LED for display. The blue for lighting and red for display devices show superior responsivity, specific detectivity (D*), and EQE compared with blue and green for display when operated as PDs. The results suggest that red LED devices for display can be used to optimize HT optocouplers due to the highest wavelength overlapping compared with others.
Designing and optimizing highly efficient grating for high-brightness laser based on spectral beam combining
A highly efficient nano-periodical grating is theoretically investigated for spectral beam combining (SBC) and is experimentally implemented for attaining high-brightness laser from a diode laser array. The rigorous coupled-wave analysis with the S matrix method is employed to optimize the parameters of the grating. According the optimized parameters, the grating is fabricated and plays a key role in SBC cavity. The diffraction efficiency of this grating is optimized to 95% for the output laser which is emitted from the diode laser array. The beam parameter product of 3.8 mm mrad of the diode laser array after SBC is achieved at the output power of 46.3 W. The optical-to-optical efficiency of SBC cavity is measured to be 93.5% at the maximum operating current in the experiment.
Systematic cavity design approach for a multi-frequency gyrotron for DEMO and study of its RF behavior
High frequency (>230 GHz) megawatt-class gyrotrons are planned as RF sources for electron cyclotron resonance heating and current drive in DEMOnstration fusion power plants (DEMOs). In this paper, for the first time, a feasibility study of a 236 GHz DEMO gyrotron is presented by considering all relevant design goals and the possible technical limitations. A mode-selection procedure is proposed in order to satisfy the multi-frequency and frequency-step tunability requirements. An effective systematic design approach for the optimal design of a gradually tapered cavity is presented. The RF-behavior of the proposed cavity is verified rigorously, supporting 920 kW of stable output power with an interaction efficiency of 36% including the considerations of realistic beam parameters.