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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records

Optimal selection of space transportation fleet to meet multi-mission space program needs

A space program that spans several decades will be comprised of a collection of missions such as low earth orbital space station, a polar platform, geosynchronous space station, lunar base, Mars astronaut mission, and Mars base. The optimal selection of a fleet of several recoverable and expendable launch vehicles, upper stages, and interplanetary spacecraft necessary to logistically establish and support these space missions can be examined by means of a linear integer programming optimization model. Such a selection must be made because the economies of scale which comes from producing large quantities of a few standard vehicle types, rather than many, will be needed to provide learning curve effects to reduce the overall cost of space transportation if these future missions are to be affordable. Optimization model inputs come from data and from vehicle designs. Each launch vehicle currently in existence has a launch history, giving rise to statistical estimates of launch reliability. For future, not-yet-developed launch vehicles, theoretical reliabilities corresponding to the maturity of the launch vehicles' technology and the degree of design redundancy must be estimated. Also, each such launch vehicle has a certain historical or estimated development cost, tooling cost, and a variable cost. The cost of a launch used in this paper includes the variable cost plus an amortized portion of the fixed and development costs. The integer linear programming model will have several constraint equations based on assumptions of mission mass requirements, volume requirements, and number of astronauts needed. The model will minimize launch vehicle logistic support cost and will select the most desirable launch vehicle fleet.

Morgenthaler, George W.↗

Statistical generic design of glass and optimization: Selective review on oxide glasses

Designing a single glass composition for a multidimensional property space is challenging, and the difficulty increases with the number of design criteria. Traditionally, the task is accomplished using multiple statistical models that describe the relationships between composition (C) and property (P) values, i.e., C-P models. Recently, the structure (S)-property (P) statistical modeling has emerged as a complementary approach. The S-P modeling approach has also been shown to be a preferred method for modeling glass properties, particularly when a small data set is available, such as in single-component studies, or when strong nonlinearities exist between composition and properties. The combined model package, C-S-P, implements the concept of generic glass design, i.e., designing glass for performance by first selecting a specific or optimized set of glass network structural groups using S-P models and then transferring the designed structures (genes) to a particular composition using C-S models. This article reviews a set of supporting cases from the previous C-S-P modeling studies of phosphate, silicate, and borosilicate glasses, which are relevant for many critical commercial applications. The methodology for developing the statistical C-S-P database is presented, enabling the application of P?S?C to achieve a generic glass design and optimization, targeting multiple design criteria for both performance and processing properties simultaneously.

Network structure↗

Strategy Developed for Selecting Optimal Sensors for Monitoring Engine Health

Sensor indications during rocket engine operation are the primary means of assessing engine performance and health. Effective selection and location of sensors in the operating engine environment enables accurate real-time condition monitoring and rapid engine controller response to mitigate critical fault conditions. These capabilities are crucial to ensure crew safety and mission success. Effective sensor selection also facilitates postflight condition assessment, which contributes to efficient engine maintenance and reduced operating costs. Under the Next Generation Launch Technology program, the NASA Glenn Research Center, in partnership with Rocketdyne Propulsion and Power, has developed a model-based procedure for systematically selecting an optimal sensor suite for assessing rocket engine system health. This optimization process is termed the systematic sensor selection strategy. Engine health management (EHM) systems generally employ multiple diagnostic procedures including data validation, anomaly detection, fault-isolation, and information fusion. The effectiveness of each diagnostic component is affected by the quality, availability, and compatibility of sensor data. Therefore systematic sensor selection is an enabling technology for EHM. Information in three categories is required by the systematic sensor selection strategy. The first category consists of targeted engine fault information; including the description and estimated risk-reduction factor for each identified fault. Risk-reduction factors are used to define and rank the potential merit of timely fault diagnoses. The second category is composed of candidate sensor information; including type, location, and estimated variance in normal operation. The final category includes the definition of fault scenarios characteristic of each targeted engine fault. These scenarios are defined in terms of engine model hardware parameters. Values of these parameters define engine simulations that generate expected sensor values for targeted fault scenarios. Taken together, this information provides an efficient condensation of the engineering experience and engine flow physics needed for sensor selection. The systematic sensor selection strategy is composed of three primary algorithms. The core of the selection process is a genetic algorithm that iteratively improves a defined quality measure of selected sensor suites. A merit algorithm is employed to compute the quality measure for each test sensor suite presented by the selection process. The quality measure is based on the fidelity of fault detection and the level of fault source discrimination provided by the test sensor suite. An inverse engine model, whose function is to derive hardware performance parameters from sensor data, is an integral part of the merit algorithm. The final component is a statistical evaluation algorithm that characterizes the impact of interference effects, such as control-induced sensor variation and sensor noise, on the probability of fault detection and isolation for optimal and near-optimal sensor suites.

Source record↗

Enzyme selection, optimization, and production toward biodegradation of post–consumer poly(ethylene terephthalate) at scale

Poly(ethylene terephthalate) (PET) is one of the world's most widely used polyester plastics. Due to its chemical stability, PET is extremely difficult to hydrolyze in a natural environment. Recent discoveries in new polyester hydrolases and breakthroughs in enzyme engineering strategies have inspired enormous research on biorecycling of PET. This study summarizes our research efforts toward large-scale, efficient, and economical biodegradation of post-consumer waste PET, including PET hydrolase selection and optimization, high-yield enzyme production, and high-capacity enzymatic degradation of post-consumer waste PET. First, genes encoding PETase and MHETase from Ideonella sakaiensis and the ICCG variant of leaf-branch compost cutinase (LCC ICCG ) were codon-optimized and expressed in Escherichia coli BL21(DE3) for high-yield production. To further lower the enzyme production cost, a pelB leader sequence was fused to LCC ICCG so that the enzyme can be secreted into the medium to facilitate recovery. To help bind the enzyme on the hydrophobic surface of PET, a substrate-binding module in a polyhydroxyalkanoate depolymerase from Alcaligenes faecalis (PBM) was fused to the C-terminus of LCC ICCG . The resulting four different LCC ICCG variants (LCC, PelB-LCC, LCC-PBM, and PelB-LCC-PBM), together with PETase and MHETase, were compared for PET degradation efficiency. A fed-batch fermentation process was developed to produce the target enzymes up to 1.2 g L –1 . Finally, the best enzyme, PelB-LCC, was selected and used for the efficient degradation of 200 g L –1 recycled PET in a well-controlled, stirred-tank reactor. Furthermore, the results will help develop an economical and scalable biorecycling process toward a circular PET economy.

59 BASIC BIOLOGICAL SCIENCES↗

Optimal selection of passes

Preliminary numerical results obtained from the application of a linear feature selection technique to the determination of combinations of passes which best discriminate between a given set of crops in a given area of interest, are reported. The results obtained are not purported to hold in a general situation, but only for the given set of crops and the given, but unknown, levels of several factors-such as soil type, and fertilizer practice, holding in the area of interest. However, by identifying the various factors affecting the spectral signatures, and by formulating a regression model one could use the feature selection technique to determine the regression coefficients for predicting optimal passes for a given set of crops. Another use of the feature selection technique as applied to multiple pass registered data is the generation of enhanced grey scale displays by using a single linear combination of all channels of all designated passes as opposed to a single channel within a single pass.

Guseman, L. F., Jr.↗

Data-Driven Discovery of Linear Molecular Probes with Optimal Selective Affinity for PFAS in Water

Approaches to tackle the wide and growing variety of highly persistent per- and polyfluoroalkyl substances (PFAS) are of pressing global need because of their detrimental human health effects, such as cancer, birth defects, and hormone imbalance. Sensitive, selective, and easy-to-use real-time sensors to monitor and detect PFAS and sorbents to extract them are critical to meeting government-mandated environmental concentrations. In this work, we combine all-atom molecular dynamics simulations, enhanced sampling, deep representational learning, and Bayesian optimization to perform high-throughput virtual screening for highly sensitive and selective molecular probes. Our molecular design space consists of 3850 linear hydrocarbon chains with varying degrees of halogenation with and without amine- and phosphine-based headgroups. By employing a data-driven search process, we efficiently explore the molecular design space to optimize the sensitivity to perfluorooctanesulfonic acid (PFOS) as a prototypical PFAS analyte and selectivity relative to a sodium dodecyl sulfate (SDS) interferent. We calculate 504 Gibbs free energies of probe-analyte and probe-interferent interactions and identify probes with PFOS association free energies of up to (-ΔG PFOS ) = 9.8 ± 0.2 kJ/mol and selectivities relative to SDS of (-ΔΔG PFOS–SDS ) = 3.1 ± 1.5 kJ/mol. A C 11 Br 23 P(CH 3 ) 2 probe containing 11 backbone brominated carbons and a tertiary phosphine headgroup possesses the most sensitive binding constant to PFOS within the defined search space of K b PFOS = 177.4 ± 12.7, and a semibrominated probe C 5 H 11 C 7 Br 14 N(CH 3 ) 2 containing 12 backbone carbons and a tertiary amine headgroup possesses the highest selectivity relative to SDS of K b PFOS /K b SDS = 4.6 ± 1.7. A retrospective analysis of our data to extract interpretable design rules reveals that the sensitivity of linear hydrogenated probes increases by approximately 1 kJ/mol per C–C bond. The addition or removal of halogen atoms and amine or phosphine headgroups produces nonmonotonic changes in both sensitivity and selectivity with changes to the sensitivity of up to 2.5 kJ/mol. Finally, this work places empirical limitations on the performance of a wide range of linear probes for PFOS detection and offers a generic strategy for high-throughput computational screening to promote selective and sensitive binding.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Cost-optimal selection of pH control for mineral scaling prevention in high recovery reverse osmosis desalination

Conference proceedings for Foundations of Computer Aided Process Design (FOCAPD) 2024 that details a cost optimization model for pH control to prevent mineral scaling in high recovery reverse osmosis. This work applies a framework for incorporating detailed water chemistry predictions such as precipitation, pH change, and mineral scaling tendencies with process-scale optimization. It demonstrates that the acid choice for pH control can have a significant impact on pretreatment costs.

Amusat, Oluwamayowa↗

Concept selection, optimization, and preliminary design of large wind generators

The development of the conceptual design of high (1000 kW, 18 mph mean wind speed site) and low (100 kW, 12 mph site) power wind generator systems to be integrated into a standard electric utility is discussed. Analyses leading to the selection of the rotor and tower design are outlined. The 1000 kW system selected for further development utilizes an all composite rotor blade design and a steel shell tower. The projected energy cost is 3.5 cents/kW hr. Results of optimization of the rated power, site wind speed, and rated wind speed parameters are summarized.

Meier, R. C.↗

Optimizing Selection Pressures and Pest Management to Maximize Cultivation Yield (OSPREY) (Final Technical Report)

This project was proposed in response to AOI 1, Cultivation Intensification Processes for Algae, within the FY19 Bioenergy Technologies Office Multi-Topic Funding Opportunity Announcement (FOA Number: DE-FOA-0002029). The work was designed to address a critical industry need to improve annualized productivity, stability, and quality of algal production strains for biofuels and bioproducts. The overall project goals were to generate process innovations rooted in established outdoor systems for strain selection, improvement, maintenance, and cultivation as well as pest detection and tracking. Planned advances included a 50% improvement in harvest yield based on AFDW (g m 2 d -1 ), 50% improvement in robustness based on stability metrics (e.g., high-productivity cultivation days, pond uptime), and 20% improvement in conversion yield. Individually, each of our planned process improvements (e.g., pest tracking) had the potential to increase productivity. However, to realize increases in yield at the system level, improvements to one unit’s process must be balanced against potential effects on other processes. For example, changes to strains, cultivation, and pest management developed in isolation may hurt other unit operations. Therefore, a critical success factor of the project was the integration of the pipeline components, achieved through iterative field-to- (short term) lab testing. In addition, through sustainability models, we evaluated how improvements would alter industry scenarios.

09 BIOMASS FUELS↗

Problem of selecting optimal regimes for storage of cryogenic agents

A thermodynamic analysis is given of different regimes of storage of hydrogen, nitrogen, oxygen, and argon using the high vacuum of space. Optimal regimes are determined from the standpoint of minimizing weight characteristics. Several unique storage regimes are proposed.

Mikhalchenko, R. S.↗

Selected optimal shuttle entry computations

Parameterization and the Davidon-Fletcher-Powell method are used to study the characteristics of optimal shuttle entry trajectories. Two problems of thermal protective system weight minimization are considered: roll modulation and roll plus an angle-of-attack modulation. Both problems are targeted for the edges of the entry footprint. Results consistent with constraints on loads and control bounds are particularly well-behaved and strongly support 'energy' approximation results obtained for the case of symmetric flight by Kelley and Sullivan (1973). Furthermore, results indicate that optimal shuttle entry trajectories should be easy to duplicate and to analyze by using simple techniques.

Sullivan, H. C.↗