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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 577 records · Page 32

A Novel Noise-Aware Classical Optimizer for Variational Quantum Algorithms

A key component of variational quantum algorithms (VQAs) is the choice of classical optimizer employed to update the parameterization of an ansatz. It is well recognized that quantum algorithms will, for the foreseeable future, necessarily be run on noisy devices with limited fidelities. Thus, the evaluation of an objective function (e.g., the guiding function in the quantum approximate optimization algorithm (QAOA) or the expectation of the electronic Hamiltonian in variational quantum eigensolver (VQE)) required by a classical optimizer is subject not only to stochastic error from estimating an expected value but also to error resulting from intermittent hardware noise. Model-based derivative-free optimization methods have emerged as popular choices of a classical optimizer in the noisy VQA setting, based on empirical studies. However, these optimization methods were not explicitly designed with the consideration of noise. In this work we adapt recent developments from the “noise-aware numerical optimization” literature to these commonly used derivative-free model-based methods. We introduce the key defining characteristics of these novel noise-aware derivative-free model-based methods that separate them from standard model-based methods. In conclusion, we study an implementation of such noise-aware derivative-free model-based methods and compare its performance on demonstrative VQA simulations to classical solvers packaged in scikit-quant.

classical optimizers↗

The first living systems: a bioenergetic perspective

The first systems of molecules having the properties of the living state presumably self-assembled from a mixture of organic compounds available on the prebiotic Earth. To carry out the polymer synthesis characteristic of all forms of life, such systems would require one or more sources of energy to activate monomers to be incorporated into polymers. Possible sources of energy for this process include heat, light energy, chemical energy, and ionic potentials across membranes. These energy sources are explored here, with a particular focus on mechanisms by which self-assembled molecular aggregates could capture the energy and use it to form chemical bonds in polymers. Based on available evidence, a reasonable conjecture is that membranous vesicles were present on the prebiotic Earth and that systems of replicating and catalytic macromolecules could become encapsulated in the vesicles. In the laboratory, this can be modeled by encapsulated polymerases prepared as liposomes. By an appropriate choice of lipids, the permeability properties of the liposomes can be adjusted so that ionic substrates permeate at a sufficient rate to provide a source of monomers for the enzymes, with the result that nucleic acids accumulate in the vesicles. Despite this progress, there is still no clear mechanism by which the free energy of light, ion gradients, or redox potential can be coupled to polymer bond formation in a protocellular structure.

Review↗

Comparing Delay-, Distance-, and Cordon-Based Congestion Pricing Strategies Via Large-Scale Simulation

This study compares the impacts of delay-, distance-, and cordon-based congestion pricing strategies for Austin, Texas, using the POLARIS agent-based activity-based travel demand simulation model. This approach enables agent-level heterogeneity and realistic choice options (including destination, mode, and activity scheduling) for dynamic traffic assignment and congestion feedbacks across a major metro region, which are features lacking in past work. To ensure comparability, distance-based tolls were set to generate the same revenue as delay-based tolling of $3.5 M/day, averaging $1.17/resident/day or $0.42/vehicle-trip. Delay-based pricing delivers 44% lower network delay and 13% lower VHT compared to the no-toll baseline, levels unmatched by other pricing strategies. At the height of the AM peak, drivers pay up to $0.13/mile on average, though most links in the network remain untolled. Distance-based pricing is the most effective at reducing VMT (by 4%), but VHT reductions (of 6%) primarily stem from drivers selecting closer destinations, achieving only one-fourth the delay reduction of delay-based pricing. Across various implementations of delay- and distance-based pricing, the results suggest that spatial variations of tolls are far more important than temporal variations. Cordon tolls produce minimal impacts at the network-wide level, but offer substantial delay reductions inside the cordon. Other major findings include: 1) delay-based pricing increases trip-making during the PM peak period due to backward shifts in discretionary-activity start times by higher-income residents; and 2) tolls’ spatial impacts, including changes in network flows and tolls paid by residents, vary substantially between delay- and distance-based pricing strategies.

Agent-based modeling↗

Assessment of the impacts of renewable energy variability in long-term decarbonization strategies

To meet the nationally determined contributions proposed by the countries that signed the Paris Agreement, investments must be made in renewable generation technologies such as solar and wind. However, due to their high variability, these technologies pose challenges in terms of meeting demand or generating excess electricity. For this reason, energy system models are designed to capture this variability by considering flexibility technologies. Nevertheless, it is important to note that some energy system models lack integration with other sectors. Therefore, integrated assessment models have been employed to evaluate mitigation strategies, as they endogenously consider the linkages between energy and non-energy sectors. In addition, due to their complexity, these models do not account for the variability of renewable resources. Hence, this research aims to address this issue. Here, this work represents the first attempt to evaluate how the introduction of hourly resolution affects the outcomes of integrated assessment models, specifically focusing on the Global Change Analysis Model (GCAM). We employ a soft-linking approach between the GCAM and the Highway to Renewable Energy Systems model (H2RES, an hourly level energy system model) to accomplish this. The proposed approach is tested using Chile’s Nationally Determined Contributions under different hydrological profiles in the power sector. The results show that it is possible to use the capacity obtained from the Global Change Analysis Model and implement it on an hourly scale. However, the feasibility of implementation depends on high levels of flexibility technologies, such as battery energy storage. When given the choice of investments in renewable sources and flexible technologies, the optimal dispatch of the H2RES model show small differences than those obtained by GCAM-Chile. H2RES differs from GCAM-Chile in approximately 5% for wind and 3% for solar electricity generation in the year 2050. However, feasible integration of significant renewable sources is obtained with relatively high Critical Excess Electricity Production levels, reaching 20% in 2050. This excess electricity is attributed to the necessity for flexible technologies to manage the intermittency of renewables sources when hourly profiles of such sources are considered.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Analytic Ballistic Performance Model of Whipple Shields

The dual-wall Whipple shield is the shield of choice for lightweight, long-duration flight. The shield uses an initial sacrificial wall to initiate fragmentation and melt an impacting threat that expands over a void before hitting a subsequent shield wall of a critical component. The key parameters to this type of shield are the rear wall and its mass which stops the debris, as well as the minimum pressure generated under threat particle impact of the sacrificial wall and the amount of void that is available for expansion. Ensuring the minimum pressure is sufficiently high to achieve large scale fragmentation/melt of the threat particle enables the expansion of the threat and reduces the momentum flux of the debris on the rear wall. Three key factors in the minimum pressure achieved are the thickness of the sacrificial wall relative to the characteristic dimension of the impacting particle, the density and material cohesion contrast of the sacrificial wall relative to the threat particle and the impact speed. The mass of the rear wall and the sacrificial wall are desirable to minimize for launch costs and dynamic concerns making it important to have an understanding of the effects of density contrast and impact speed. In this paper a fourth key parameter is identified related to fragmentation, which corresponds to the ratio of the size of the projectile relative to the transition from brittle to ductile hole growth in the projectile. Ballistic limit equations have been developed to define the failure limits of a MMOD shield, generally in terms of projectile diameter (or mass), impact velocity, and angle. Within the range of impact velocities relevant for Earth-orbiting spacecraft, three distinct regions of penetration phenomenology have been identified for Whipple shields: center dot Low velocity: the projectile is eroded (and possibly deformed) during its passage through the bumper plate, but is not fragmented. Thus, perforation of the rear wall is by a fragment with a mass and speed equal to or less than the original impactor. center dot Intermediate (shatter) velocity: impact velocities are sufficient to induce projectile fragmentation upon impact with the bumper plate, resulting in a coarse debris cloud with large solid fragments. Increasing velocity within the shatter regime results in increased fragmentation, and eventually melting, of the projectile and bumper fragments, generating a finer and more evenly dispersed debris cloud. Failure of the rear wall is a complicated combination of modes observed at low- and hypervelocity. center dot Hypervelocity: the projectile and holed-out bumper material is completely, or nearly completely, melted and/or vaporized by the initial impact. The resultant debris cloud impacts over a dispersed area of the rear wall, loading it impulsively and inducing failure through rupture or petalling. While each of these regimes are well observed with extensive empirical methods to describe these regions, differences in impactor materials, configurations of shields and questions about the limitations of the attainable impact speeds have left questions that are difficult to answer from completely empirical methods.

Miller, J. E.↗

A Generalized approach to the operationalization of Software Quality Models

Comprehensive measures of quality are a research imperative, yet the development of software quality models is a wicked problem. Definitive solutions do not exist and quality is subjective at its most abstract. Definitional measures of quality are contingent on a domain, and even within a domain, the choice of representative characteristics to decompose quality is subjective. Thus, the operationalization of quality models brings even more challenges. A promising approach to quality modeling is the use of hierarchies to represent characteristics, where lower levels of the hierarchy represent concepts closer to real-world observations. Building upon prior hierarchical modeling approaches, we developed the Platform for Investigative software Quality Understanding and Evaluation (PIQUE). PIQUE surmounts several quality modeling challenges because it allows modelers to instantiate abstract hierarchical models in any domain by leveraging organizational tools tailored to their specific contexts. Here, we introduce PIQUE; exemplify its utility with two practical use cases; address challenges associated with parameterizing a PIQUE model; and describe algorithmic techniques that tackle normalization, aggregation, and interpolation of measurements.

Data aggregation↗

Designing Cost‐Effective Carbon Payments to Induce Cellulosic Feedstock Production for Sustainable Aviation Fuel

Perennial bioenergy crops, such as miscanthus and switchgrass, and crop residues have the potential to scale up sustainable aviation fuel (SAF) production and mitigate carbon emissions. However, high establishment costs, delayed returns, and risk–return profiles that diverge from those of conventional crops can hinder incentives to adopt bioenergy crops. We develop an economic model that incorporates spatially varying joint yield and price distributions for the multiple crop choices a farmer faces and apply it to examine the incentives for risk-averse, present-biased, and credit-constrained farmers to produce cellulosic feedstocks under various biomass prices. We link this model to a biogeochemical model to quantify the spatially varying carbon mitigation benefits from these feedstocks in the rainfed region of the United States. We also analyze the cost-effectiveness of two carbon payment policies: annual and upfront. We find that risk-averse, present-biased, or credit-constrained farmers prefer to grow the lower-yielding but less risky switchgrass and harvest corn stover instead of the lower carbon, higher-yielding but riskier feedstock miscanthus, resulting in lower SAF production. Upfront carbon payments incentivize higher quantities of less carbon-intensive SAF production by risk-averse, credit-constrained, and present-biased farmers because they offset a part of the establishment costs of miscanthus. We also find that when farmers are credit-constrained, upfront payments are more cost-effective in terms of carbon mitigation per dollar spent. In contrast, annual payments are more cost-effective when farmers can access credit.

09 BIOMASS FUELS↗

Availability Estimation for Facilities in Extreme Geographical Locations

A value added analysis for the Reliability. Availability and Maintainability of McMurdo Ground Station was developed, which will be a useful tool for system managers in sparing, maintenance planning and determining vital performance metrics needed for readiness assessment of the upgrades to the McMurdo System. Output of this study can also be used as inputs and recommendations for the application of Reliability Centered Maintenance (RCM) for the system. ReliaSoft's BlockSim. a commercial Reliability Analysis software package, has been used to model the availability of the system upgrade to the National Aeronautics and Space Administration (NASA) Near Earth Network (NEN) Ground Station at McMurdo Station in the Antarctica. The logistics challenges due to the closure of access to McMurdo Station during the Antarctic winter was modeled using a weighted composite of four Weibull distributions. one of the possible choices for statistical distributions throughout the software program and usually used to account for failure rates of components supplied by different manufacturers. The inaccessibility of the antenna site on a hill outside McMurdo Station throughout one year due to severe weather was modeled with a Weibull distribution for the repair crew availability. The Weibull distribution is based on an analysis of the available weather data for the antenna site for 2007 in combination with the rules for travel restrictions due to severe weather imposed by the administrating agency, the National Science Foundation (NSF). The simulations resulted in an upper bound for the system availability and allowed for identification of components that would improve availability based on a higher on-site spare count than initially planned.

Fischer, Gerd M.↗

Validation of the DESI DR2 measurements of baryon acoustic oscillations from galaxies and quasars

The Dark Energy Spectroscopic Instrument (DESI) Data Release 2 (DR2) galaxy and quasar clustering data represents a significant expansion of data from Data Release 1 (DR1), providing improved statistical precision in baryon acoustic oscillation (BAO) constraints across multiple tracers, including bright galaxies, luminous red galaxies, emission line galaxies, and quasars. In this paper, we validate the BAO analysis of DR2. We present the results of robustness tests on the blinded DR2 data and, after unblinding, consistency checks on the unblinded DR2 data. All results are compared with those obtained from a suite of mock catalogs that replicate the selection and clustering properties of the DR2 sample. We confirm the consistency of DR2 BAO measurements with DR1 while achieving a reduction in statistical uncertainties due to the increased survey volume and completeness. The combined BAO precision, including both statistical and systematic errors, improves from ∼0.52% in DR1 to 0.30% in DR2—a factor of 1.7 gain. We assess the impact of analysis choices, including different data vectors (correlation function vs power spectrum), modeling approaches and systematics treatments, and an assumption of the Gaussian likelihood, finding that our BAO constraints are stable across these variations and assumptions with a few minor refinements to the baseline setup of the DR1 BAO analysis. We summarize a series of pre-unblinding tests that confirmed the readiness of our analysis pipeline, the final systematic errors, and the DR2 BAO analysis baseline. The successful completion of these tests led to the unblinding of the DR2 BAO measurements, ultimately leading to the DESI DR2 cosmological analysis, with their implications for the expansion history of the Universe and the nature of dark energy presented in the DESI key paper (companion paper).

79 ASTRONOMY AND ASTROPHYSICS↗

InterQnet: A Heterogeneous Full-Stack Approach to Co-Designing Scalable Quantum Networks

Quantum communications have progressed significantly, moving from a theoretical concept to small-scale experiments to recent metropolitan-scale demonstrations. As the technology matures, it is expected to revolutionize quantum computing in much the same way that classical networks revolutionized classical computing. Quantum communications will also enable breakthroughs in quantum sensing, metrology, and other areas. However, scalability has emerged as a major challenge, particularly in terms of the number and heterogeneity of nodes, the distances between nodes, the diversity of applications, and the scale of user demand. This article describes InterQnet, a multidisciplinary project that advances scalable quantum communications through a comprehensive approach that improves devices, error handling, and network architecture. InterQnet has a two-pronged strategy to address scalability challenges: InterQnet-Achieve focuses on practical realizations of heterogeneous quantum networks by building and then integrating first-generation quantum repeaters with error mitigation schemes and centralized automated network control systems. The resulting system will enable quantum communications between two heterogeneous quantum platforms through a third type of platform operating as a repeater node. InterQnet-Scale focuses on a systems study of architectural choices for scalable quantum networks by developing forward-looking models of quantum network devices, advanced error correction schemes, and entanglement protocols. Here, we report our current progress toward achieving our scalability goals.

Chung, Joaquin [Argonne] (ORCID:0000000173833810)↗

1991 Boston Household Travel Survey

The Central Transportation Planning Staff conducted a household travel survey in 1991, featuring demographic, socioeconomic, and travel features of 2,347 households, generating 39,372 weekday trips. The survey took the form of an activity-based travel diary that each subject household filled out for one weekday. The data was used to estimate new models for trip generation, automobile ownership, trip distribution, and mode choice.

1Hz data↗

1999 Puget Sound Household Travel Survey

The 1999 Puget Sound Household Travel Survey was conducted between July and November. NuStats Research and Consulting conducted the survey on behalf of the Puget Sound Regional Council. The purpose of the study was to provide data to continue developing and refining the Regional Travel Demand Forecasting Model, as well as to provide a better understanding of travel behavior in the Puget Sound region. The study area consists of King, Kitsap, Pierce, and Snohomish counties. The resultant dataset will be used to fulfill the model's functions of estimating trip generation and distribution, mode choice, and assignments. The study had household members 16 years old or older keep track of travel for a 48-hour period. A total of 9,028 households were recruited to participate in the study. Of these, 6,000 households (66.5%) completed travel diaries, and the information was retrieved from all household members regardless of age. An “attitude” survey about transportation and land use issues was also mailed to household members 16 years old or older.

1Hz data↗

1998/99 Thurston County Household Travel Study

The survey was conducted under the auspices of the Thurston Regional Planning Council, and it was funded through a state grant awarded to Intercity Transit of Olympia, Washington. Data collection was from September 1998 through March 1999. The purpose of the study was to provide data for the continuing development and refinement of the Regional Travel Demand Forecasting Model, as well as to provide a better understanding of travel behavior in the southern Puget Sound region of Washington. The resultant data set will be used to fulfill the model's functions of estimating trip generation and distribution, mode choice, and assignments. Participating households were assigned specific “travel days” to record their travel over a 48-hour period. A total of 2,465 households were recruited to participate in the study. Of these, 1,537 households completed travel diaries, and the information was retrieved from 3,653 household members regardless of age. Households member made 25,278 total trips during their 48-hour diary period.

1Hz data↗

Dynamic Considerations for Control of Closed Life Support Systems

Reliability of closed life support systems depend on their ability to continue supplying the crew's needs during perturbations and equipment failures. The dynamic considerations interact with the basic static design through the sizing of storages, the specification of excess capacities in processors, and the choice of system initial state. A very simple system flow model was used to examine the possibilities for system failures even when there is sufficient storage to buffer the immediate effects of the perturbation. Two control schemes are shown which have different dynamic consequences in response to component failures.

Babcock, P. S.↗

A Fundamental Study of Smoldering with Emphasis on Experimental Design for Zero-G

The objective of this section of the microgravity project is to identify key sets of low-gravity experiments which would critically compliment a larger set of more easily performed normal-gravity experiments to explain the phenomena found in smoldering combustion. It is planned to follow through on the conceptual design of these experiments by participating in the future in the fabrication of the refined apparatus and in the data collection and interpretation. Low-gravity experiments are appropriate for smoldering combustion because of the complexity of smoldering which requires every means possible to discriminate among the many chemical and physical mechanisms active in most smoldering combustion scenarios. Efforts will be primarily analytical, attempting to identify appropriate approximations and dominant dimensionless groups based on existing data and state-of-the-art combustion modelling. Transient stability questions such as ignition, extinction and the choices among charring, tarring, or flaming modes will be included.

Pagni, P. J.↗

Interdependent figure-of-merit software development

This program was undertaken in order to understand the complex nature of interdependent performance in space missions. At the first step in a planned sequence of progress, a spread sheet program was developed to evaluate different fuel/oxidizer combinations for a specific Martian mission. This program is to be linked with output attained using sophisticated software produced by Gordon and McBride. The programming to date makes use of 11 independent parameters. Optimization is essential when faced with the incredible magnitude of costs, risks, and benefits involved with space exploration. A system of weights needs to be devised on which to measure the options. It was the goal to devise a Figure of Merit (FoM) on which different choices can be presented and made. The plan was to model typical missions to Mars, identify the parameters, and vary them until the best one is found. Initially, most of the focus was placed on propellant selection.

Ramohalli, K.↗

Turbulence modeling in aerodynamic shear flows - Status and problems

This paper briefly summarizes the status and problems of turbulence modeling for aerodynamical applications. For complex flows the 'approach of choice' is (increasingly) full second-order (Reynolds stress equation) closure. These closures have not yet developed to anywhere near their full potential, significant further research is required especially regarding length-scale equations, representation of pressure-strain correlations, and wall region treatments. Recent developments in computer capability, algorithms, numerical simulations, theory and quantitative flow visualization should assist in and hasten this research. Several problem areas such as shock interaction and discrete dynamic instabilities of turbulent flows may require mega-to-large eddy simulation or theoretical adjuncts.

Bushnell, D. M.↗