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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 217 records · Page 12

Impact of low cost refurbishable and standard spacecraft upon future NASA space programs. Payload effects follow-on study, appendix

Mission analysis is discussed, including the consolidation and expansion of mission equipment and experiment characteristics, and determination of simplified shuttle flight schedule. Parametric analysis of standard space hardware and preliminary shuttle/payload constraints analysis are evaluated, along with the cost impact of low cost standard hardware.

Source record↗

Origin of Stabilization of Ligand-Centered Mixed Valence Ruthenium Azopyridine Complexes: DFT Insights for Neuromorphic Applications

Redox-driven conductance changes are critical processes in molecular- and coordination-complex-based memristive thin films and devices that are envisioned for neuromorphic technologies, but fundamental mechanisms of conductance switching are not fully understood. Here, we explore charge disproportionation (CD) processes in [Ru II L 2 ](PF 6 ) 2 molecular systems that intrinsically involve interfragment charge transfer (IFCT). Using a combination of ab initio molecular dynamics simulation (AIMD), time-dependent density functional theory (TD-DFT), and density functional theory (DFT) calculations, we investigate the electron transfer mechanisms and the roles of temperature and cell volumetric expansion in facilitating the counterion movements and electronic transitions required for low-cost IFCT and charge redistribution. A detailed analysis of the density of states and TD-DFT calculations highlights that unpaired electrons play a crucial role in low-energy transitions, with the azo (N=N) groups of the ligand serving as the primary sites for electronic transport between molecular fragments, further stabilizing the asymmetric state. Localization of added electrons on azo ligands occurs with negligible change at the Ru centers, supported by atomic volume expansions up to +4.74 bohr 3 , and goes along with a progressive reduction of the HOMO−LUMO gap across redox states, suggesting enhanced conductivity. The TD-DFT analysis reveals a dominant IFCT excitation at 2082.76 nm in the doubly reduced (22) state, while a stabilization energy of 1.20 eV of the asymmetric (13) state relative to the symmetric (22) state is predicted by constrained DFT. Periodic DFT and AIMD simulations emulating a molecular film show that the stabilization of the asymmetric state, relative to a symmetric one, translates in net charge separation values (order of ∼0.33 e) that are strongly linked to increased counterion mobility (average counterion displacements exceeding 0.7 Å per atom during CD events) and the involvement of azo groups in electron redistribution. These findings, which align with previously reported experimental and computational data, provide key insights into the IFCT mechanisms and electronic transport facilitated by azo groups, with important implications for redox-driven memristive and neuromorphic technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Estimated capital costs of fish exclusion technologies for hydropower facilities

Hydropower is a reliable source of renewable energy, and its future expansion is likely to be in the form of either smaller new stream development (NSD) projects or powering existing non-powered dams. Thresholds for entrainment risk to fish and the requirements for fish exclusion at hydropower facilities often differ depending on the species involved, the characteristics of the facility, and the goals of stakeholders, but little quantitative information is present within the literature regarding the specific costs of fish exclusion measures. Cost data associated with protection, mitigation, and enhancement (PM&E) measures related to positive barrier screening were identified using keyword searches of an existing environmental mitigation cost data set and manual extraction from regulatory licensing documents available in the Federal Energy Regulatory Commission (FERC) eLibrary. This approach yielded a total of 50 p.m.&E mitigation measures with estimated capital construction costs pertaining to positive barrier screens and represented <10% of the 171 total FERC project dockets available in the data set. These data were highly skewed toward conventional relicensing projects, as <7% were associated with NSD projects. Results indicate highly variable costs are associated with fish screening, with flow-normalized costs one to two orders of magnitude higher for screening with the highest exclusion capability (≤0.09 in. spacing) compared with coarser screening (1–2 in.). These data provide an initial baseline for estimating exclusion costs for hydropower development and may help developers consider options for more fish-friendly generation technologies, though gaps remain relating to a lack of data, particularly for NSD projects.

13 HYDRO ENERGY↗

Liquid Flyback Booster Pre-Phase A Study Assessment

Mw concept of a flyback booster has been around since early in the Shuttle program. The original two-stage Shuttle concepts used a manned flyback booster. These boosters were eliminated from the program for funding and size reasons. The current Shuttle uses two Redesigned Solid Rocket Motors (RSRMs), which are recovered and refurbished after each flight; this is one of the major cost factors of the program. Replacement options have been studied over the past ten years. The conclusion reached by the most recent study is that the liquid flyback booster (LFBB) is the only competitive option from a life-cycle cost perspective. The purpose of this study was to assess the feasibility and practicality of LFBBs. The study provides an expansion of the recommendations made during the during the aforementioned study. The primary benefits are the potential for enhanced reusability and a reuction of recurring costs. The potential savings in vehicle turnaround could offset the up-front costs. Development of LFBBs requires a commitment to the Shuttle program for 20 to 30 years. LFBBs also offer enhanced safety and abort capabilities. Currently, any failure of an RSRM can be considered catastrophic since them we no intact abort capabilities during the burn of the RSRMS. The performance goal of the LFBBs was to lift a fully loaded Orbiter under optimal conditions, so as not to be the limiting factor of the performance capability of the Shuttle. In addition, a final benefit is the availability of growth paths for applications other than the Shuttle.

Peterson, W.↗

Analysis of structural perturbations in systems via cost decomposition methods

It has long been common practice to analyze linear dynamic systems by decomposing the total response in terms of individual contributions which are easier to analyze. Examples of this philosophy include the expansion of transfer functions using: (1) the superposition principle, (2) residue theory and partial fraction expansions, (3) Markov parameters, Hankel matrices, and (4) regular and singular perturbations. This paper summarizes a new and different kind of expansion designed to decompose the norm of the response vector rather than the response vector itself. This is referred to as "cost-decomposition' of the system. The notable advantages of this type of decomposition are: (a) easy application to multi-input, multi-output systems, (b) natural compatibility with Linear Quadratic Gaussian Theory, (c) applicability to the analysis of more general types of structural perturbations involving inputs, outputs, states, parameters. Property (c) makes the method suitable for problems in model reduction, measurement/actuator selections, and sensitivity analysis.

Skelton, R. E.↗

Project resource reallocation algorithm

A methodology for adjusting baseline cost estimates according to project schedule changes is described. An algorithm which performs a linear expansion or contraction of the baseline project resource distribution in proportion to the project schedule expansion or contraction is presented. Input to the algorithm consists of the deck of cards (PACE input data) prepared for the baseline project schedule as well as a specification of the nature of the baseline schedule change. Output of the algorithm is a new deck of cards with all work breakdown structure block and element of cost estimates redistributed for the new project schedule. This new deck can be processed through PACE to produce a detailed cost estimate for the new schedule.

Myers, J. E.↗

Insights from NREL’s Electrification Futures and LA100 Studies

Electrification of end-use technologies could have important implications for bulk power sector planning, operations, and impacts. By combining previously-defined electrification scenarios with capacity expansion modeling, we evaluate the potential challenges and opportunities associated with electrification. Our scenario analysis reveals that electrification reduces energy consumption and air emissions from across the energy sector, and its impacts on energy system costs are modest due, in part, to the abundance of low-cost resources in the United States.

43 PARTICLE ACCELERATORS↗

Hydropower expansion in eco-sensitive river basins under global energy-economic change

Vast hydropower resources remain untapped globally, the deployment of which could provide energy-economic benefits but impact riverine ecosystems. Across eco-sensitive river basins, it is unclear how drivers of hydropower expansion, such as rapid economic growth and a low-carbon energy transition, could interact with countervailing forces, such as increasingly cost-competitive variable renewable energy (VRE). Using an integrated energy-water-economy model, we explore the effects of these forces on long-term hydropower expansion in the world’s 20 most eco-sensitive basins, which have high ecological richness and untapped hydropower potential. Here, we find that a low-carbon transition exerts the strongest development pressure, causing deployment exceeding 80% of exploitable potential in more than 72% of eco-sensitive basins by 2050, most of which have limited deployment today. Rapid economic growth induces such extensive deployment in only 44% of eco-sensitive basins. Enhanced integration of VRE reduces deployment, alleviating the impacts of rapid economic growth but not the low-carbon transition.

13 HYDRO ENERGY↗

Role of Renewable Energy, Storage, and Demand Response in Karnataka's Power Sector Future

Karnataka ranks fourth among Indian states in installed capacity of renewable energy, which accounts for over 50% of its resource mix. The state is positioned to play a leading role in India's energy transition and contribute to meeting national targets for renewable energy thanks, in part, to ambitious state goals to develop Karnataka's abundant zero carbon energy resources and plans to phase out new investments in thermal plants. Power system stakeholders in Karnataka are faced with the challenge of planning a generation portfolio that accounts for the variability of wind and solar resources, meets increasing and shifting electricity demand, and satisfies operational and reliability requirements. The objective of this study is to evaluate least-cost pathways for Karnataka's electric power system through 2050. The capacity expansion model developed for this study identifies power system investment and operational decisions for every year (2020-2050) for all of India, with detailed representation of the state of Karnataka. The study led to five high-level results and provides a framework for recurring planning studies to meet changing system conditions and needs.

24 POWER TRANSMISSION AND DISTRIBUTION↗

An evolution strategy for lunar nuclear surface power

The production and transmission of electric power for a permanently inhabited lunar base poses a significant challenge which can best be met through an evolution strategy. Nuclear systems offer the best opportunity for evolution in terms of both life and performance. Applicable nuclear power technology options include isotope systems (either radioisotope thermoelectric generators or dynamic isotope power systems) and reactor systems with either static (thermoelectric or thermionic) or dynamic (Brayton, Stirling, Rankine) conversion. A power system integration approach that takes evolution into account would benefit by reduced development and operations cost, progressive flight experience, and simplified logistics, and would permit unrestrained base expansion. For the purposes of defining a nuclear power system evolution strategy, the lunar base development shall consist of four phases: precursor, emplacement, consolidation, and operations.

Mason, Lee S.↗

Determining the Best-Fit FPGA for a Space Mission: An Analysis of Cost, SEU Sensitivity,and Reliability

This viewgraph presentation reviews the selection of the optimum Field Programmable Gate Arrays (FPGA) for space missions. Included in this review is a discussion on differentiating amongst various FPGAs, cost analysis of the various options, the investigation of radiation effects, an expansion of the evaluation criteria, and the application of the evaluation criteria to the selection process.

Berg, Melanie↗

Tours of High-containment and Pristine Facilities in Support of Mars Sample Return (MSR) Sample Receiving Facility (SRF) Definition Studies

During 2019 and 2020, the NASA Tiger Team RAMA (acronym of the authors) toured several high-containment biosafety laboratories and pristine space-mission facilities worldwide to better understand their practices, capabilities, and lessons-learned to aid in planning a Sample Receiving Facility (SRF) in support of Mars Sample Return (MSR). The team also included tours of a manufacturer of mobile and modular high-containment facilities as well as manufacturers of isolators and gloveboxes. In addition, the team visited the European Space Agency (ESA)ultraclean and sterile ISO 3 / airborne molecular contamination -9 (AMC-9) isolator line to clean and assemble the most critical hardware for ESA’s ExoMars Mars Lander System, and researchers developing a novel double-walled isolator (DWI) and robotic handling techniques in support of an MSR SRF. The RAMA team visits covered several construction modalities for an MSR SRF: (1) a new traditional fixed facility; (2) use of an existing fixed Biosafety Level 4(BSL-4) facility; (3) a novel modular BSL-4 approach; and (4) a hybrid combination of fixed, modular, and existing facilities. A new fixed facility approach can be tailored to MSR’s needs and is the approach used by all U.S. BSL-4 laboratories constructed to date. However, this approach could be the most expensive modality, take the longest to implement (8-12 years), and have significant programmatic risk of delay. The utilization of an existing BSL-4 facility may be possible depending on the final contamination control and science requirements for the MSR SRF. Due to the internal dimensions of the labs visited and facility structural requirements, it is unlikely that any modification can be made to the facility to meet cleanliness requirements. Furthermore, due to possible construction delays, possible capacity issues, and potential cross contamination vectors from in-house select agents, there may also be significant programmatic risks for sharing an existing facility. Another approach is building a contemporary modular facility. This is a novel approach that has recently been used for a BSL-3/3Ag facilities. The modular elements would be installed in a traditional building or shell structure. A modular facility has many advantages over a traditional fixed facility with lower costs, shorter design/construction/ commissioning schedule, and flexibility for easier retrofits and future expansion. Lastly, a hybrid approach of combining the use of either: (1) a modular facility inside a new fixed facility or (2) a modular and/or fixed BSL-4 annex in conjunction with an existing BSL-4 space should be considered. The advantage of a hybrid approach is that the facility could leverage the strengths of other approaches. Beyond facility construction approaches, the RAMA team investigated technologies and techniques for isolating and handling Martian samples in pristine environments. For example, ESA has been studying and developing a DWI breadboard along with other sample-handling technologies. The research and development investment for clean, remote manipulation and robotics at the start of the facility design phase would be beneficial to the SRF. Additionally, under-standing the lessons learned from Thales Alenia Space during the construction and operation of the most advanced state-of-the-art precision cleaning, sterilization, and assembly glovebox isolators ever developed for spacecraft hardware are also critical for the SRF. The RAMA team lays out a summary of the 18 facilities toured, and includes 43 observations,18 findings, and 22 areas of possible follow-up that the RAMA team and others could pursue to enable further findings. The observations and findings illustrate that constructing an MSR SRF would combine the complexity of both high-containment and pristine facilities, and merging these technologies would be challenging, but achievable.

Mars Sample Return↗

Supporting Resource Adequacy via the ReEDS-India Model [Slides]

ReEDS-India is an open-access tool for mid- and long-term capacity expansion modeling that finds the mix of generation, transmission, and storage technologies that meet the anticipated requirements of the electric sector at least cost.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Subspace recursive Fermi-operator expansion strategies for large-scale DFT eigenvalue problems on HPC architectures

Quantum mechanical calculations for material modeling using Kohn–Sham density functional theory (DFT) involve the solution of a nonlinear eigenvalue problem for N smallest eigenvector-eigenvalue pairs, with N proportional to the number of electrons in the material system. Here, these calculations are computationally demanding and have asymptotic cubic scaling complexity with the number of electrons. Large-scale matrix eigenvalue problems arising from the discretization of the Kohn–Sham DFT equations employing a systematically convergent basis traditionally rely on iterative orthogonal projection methods, which are shown to be computationally efficient and scalable on massively parallel computing architectures. However, as the size of the material system increases, these methods are known to incur dominant computational costs through the Rayleigh–Ritz projection step of the discretized Kohn–Sham Hamiltonian matrix and the subsequent subspace diagonalization of the projected matrix. This work explores the potential of polynomial expansion approaches based on recursive Fermi-operator expansion as an alternative to the subspace diagonalization of the projected Hamiltonian matrix to reduce the computational cost. Subsequently, we perform a detailed comparison of various recursive polynomial expansion approaches to the traditional approach of explicit diagonalization on both multi-node central processing unit and graphics processing unit architectures and assess their relative performance in terms of accuracy, computational efficiency, scaling behavior, and energy efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Time propagation of electronic wavefunctions using nonorthogonal determinant expansions

The use of truncated configuration interaction in real-time time-dependent simulations of electron dynamics provides a balance of computational cost and accuracy, while avoiding some of the failures associated with real-time time-dependent density functional theory. However, low-order truncated configuration interaction also has limitations, such as overestimation of polarizability in configuration interaction singles, even when perturbative doubles are included. Increasing the size of the determinant expansion may not be computationally feasible, and so, in this work, we investigate the use of nonorthogonality in the determinant expansion to establish the extent to which higher-order substitutions can be recovered, providing an improved description of electron dynamics. Model systems are investigated to quantify the extent to which different methods accurately reproduce the (hyper)polarizability, including the high-harmonic generation spectrum of H 2 , water, and butadiene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Long-term basin-scale hydropower expansion under alternative scenarios in a global multisector model

Abstract Hydropower is an important source of renewable, low-carbon energy. Global and regional energy systems, including hydropower, may evolve in a variety of ways under different scenarios. Representation of hydropower in global multisector models is often simplified at the country or regional level. Some models assume a fixed hydropower supply, which is not affected by economic drivers or competition with other electricity generation sources. Here, we implement an endogenous model of hydropower expansion in the Global Change Analysis Model, including a representation of hydropower potential at the river basin level to project future hydropower production across river basins and explore hydropower’s role in evolving energy systems both regionally and globally, under alternative scenarios. Each scenario utilizes the new endogenous hydropower implementation but makes different assumptions about future low-carbon transitions, technology costs, and energy demand. Our study suggests there is ample potential for hydropower to expand in the future to help meet growing demand for electricity driven by socioeconomic growth, electrification of end-use sectors, or other factors. However, hydropower expansion will be constrained by resource availability, resource location, and cost in ways that limit its growth relative to other technologies. As a result, all scenarios show a generally decreasing share of hydroelectricity over total electricity generation at the global level. Hydropower expansion varies across regions, and across basins within regions, due to differences in resource potential, cost, current utilization, and other factors. In sum, our scenarios entail hydropower generation growth between 36% and 119% in 2050, compared to 2015, globally.

54 ENVIRONMENTAL SCIENCES↗

Joint Planning of Electricity Transmission and Hydrogen Transportation Networks

The abundance and uneven distribution of renewable energy might cause congestion and curtailment in electric power systems. Transmission expansions can potentially alleviate transmission congestion and reduce renewable energy curtailment. On the other hand, with the substantial cost reduction of electrolyzer technology and the continuing rise of hydrogen demand, converting surplus renewable energy to hydrogen provides synergistic benefits to power and hydrogen systems, but consequently requires joint planning of the two systems. To this end, we propose a joint planning approach for power transmission and hydrogen transportation networks to coordinately optimize the investment and operation of power and hydrogen infrastructure. In our proposed model, detailed truck routing, pipeline, and hydrogen storage are formulated to quantify the flexibility of hydrogen transportation system. A robust joint planning approach is also proposed to address various uncertainties from renewable energy, electric load, and hydrogen demand. Furthermore, our numerical simulations show that the proposed joint planning model can save the total system cost, reduce renewable energy curtailment, and increase the utilization level of transmission lines.

08 HYDROGEN↗