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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Tethered Small-Molecule Acceptors Simultaneously Enhance the Efficiency and Stability of Polymer Solar Cells

For polymer solar cells (PSCs), the mixture of polymer donors and small-molecule acceptors (SMAs) is fine-tuned to realize a favorable kinetically trapped morphology and thus a commercially viable device efficiency. However, the thermodynamic relaxation of the mixed domains within the blend raises concerns related to the long-term operational stability of the devices, especially in the record-holding Y-series SMAs. Here, a new class of dimeric Y6-based SMAs tethered with differential flexible spacers is reported to regulate their aggregation and relaxation behavior. In their polymer blends with PM6, it is found that they favor an improved structural order relative to that of Y6 counterpart. Most importantly, the tethered SMAs show large glass transition temperatures to suppress the thermodynamic relaxation in mixed domains. For the high-performing dimeric blend, an unprecedented open circuit voltage of 0.87 V is realized with a conversion efficiency of 17.85%, while those of regular Y6-base devices only reach 0.84 V and 16.93%, respectively. Most importantly, the dimer-based device possesses substantially reduced burn-in efficiency loss, retaining more than 80% of the initial efficiency after operating at the maximum power point under continuous illumination for 700 h. In conclusion, the tethering approach provides a new direction to develop PSCs with high efficiency and excellent operating stability.

14 SOLAR ENERGY↗
DOE OSTI2026

Quantifying Energy Storage Density Utilization Trends in Redox Flow Battery Chemistries

The transition to new energy resources is driving the need for efficient energy storage. Redox flow batteries (RFBs) are a promising solution due to their flexible design and safer materials, particularly for long-duration storage applications. Despite these advantages, RFB technologies still have considerable room for growth in terms of utilizing all of their available energy storage density. Herein, we assess RFB energy storage density utilization trends for multiple chemistries by accounting for their unique thermodynamic limits, energy efficiencies, and charge capacity constraints. Of the RFBs chemistries analyzed, most still use less than 60% of their theoretical energy storage capacity. The conventional all-vanadium RFB was the closest to its thermodynamic limit available. Moreover, the volumetric footprint and electrolyte cost analyses demonstrate the real-world implications of these inefficiencies. This analysis further indicates that future studies would benefit from clearer reporting of two key quantities: discharge efficiency, which is more directly tied to practically recoverable energy density than round-trip energy efficiency, and state-of-charge or capacity-utilization limits, which govern access to theoretical storage capacity. More consistent reporting of these factors would improve the accuracy and comparability of energy storage utilization analyses across RFB chemistries.

battery energy storage↗
DOE OSTI2022

Dry cooler contribution to LCOE in a sCO 2 power cycle for CSP

In order to maintain viability as a future power-generating technology, concentrating solar power (CSP) must reduce its levelized cost of electricity (LCOE). One component of solving this problem is reducing the cost of the power block while simultaneously increasing the efficiency of the thermodynamic cycle. One disruptive technology that has the promise to accomplish this is supercritical CO 2 (sCO 2 ) based power cycles. Here, these cycles are conceptually similar to steam cycles; however, they have substantially smaller turbomachinery at equivalent power while also delivering more efficiency at turbine inlet temperatures of 500-700 °C.

14 SOLAR ENERGY↗
DOE OSTI2022

AN UPDATE ON THE STATUS OF A REDUCED FLOW TEST OF A 10MW 700⁰C SCO2 INTEGRALLY GEARED COMPANDER

In order to maintain viability as a future power-generating technology, concentrating solar power (CSP) must reduce its levelized cost of electricity (LCOE). One component of solving this problem is reducing the cost of the power block while simultaneously increasing the efficiency of the thermodynamic cycle. One disruptive technology that has the promise to accomplish this is supercritical CO2 based power cycles. These cycles are conceptually similar to steam cycles; however, they have substantially smaller turbomachinery at equivalent power while also delivering more efficiency at turbine inlet temperatures of 500-700℃. This paper will summarize the current status of a US Department of Energy project to develop machinery to support a 10 MW sCO2 power cycle. The team of Southwest Research Institute® (SwRI®) and Hanwha Power Systems America, proposed to develop an integrally-geared (IG) compressor-expander (compander) for use in a nominal 10 MW-scale CSP supercritical carbon dioxide (sCO2) plant application. This integrally-geared compander (IGC) comprises multiple pinion shafts interconnected on a single bull gear to create a compact package, and utilizes a low-cost, low-speed driver. In addition, the integrally-geared architecture allows each pinion to operate at different rotational speeds to optimize performance and easily allow for inter-stage cooling and turbine re-heat to further enhance both stage and cycle efficiency. The close integration of all turbomachinery elements into a single integrally-geared (IG) machine creates a design that lends itself to power block modularization, which makes it suitable for waste heat recovery, fossil fuel power plants, and especially CSP applications.

14 SOLAR ENERGY↗
DOE OSTI2022

An Update on the Status of a Reduced Flow Test of a 10MW 700°C sCO2 Integrally Geared Compander

. In order to maintain viability as a future power-generating technology, concentrating solar power (CSP) must reduce its levelized cost of electricity (LCOE). One component of solving this problem is reducing the cost of the power block while simultaneously increasing the efficiency of the thermodynamic cycle. One disruptive technology that has the promise to accomplish this is supercritical CO2 based power cycles. These cycles are conceptually similar to steam cycles; however, they have substantially smaller turbomachinery at equivalent power while also delivering more efficiency at turbine inlet temperatures of 500-700 degrees Celsius. This paper will summarize the current status of a US Department of Energy project to develop machinery to support a 10 MW sCO2 power cycle. The team of Southwest Research Institute® (SwRI®) and Hanwha Power Systems America, proposed to develop an integrally-geared (IG) compressor-expander (compander) for use in a nominal 10 MW-scale concentrated solar power (CSP) supercritical carbon dioxide (sCO2) plant application. This integrally-geared compander (IGC) comprises multiple pinion shafts interconnected on a single bull gear to create a compact package, and utilizes a low-cost, low-speed driver. In addition, the integrally geared architecture allows each pinion to operate at different rotational speeds to optimize performance and easily allow for inter-stage cooling and turbine re-heat to further enhance both stage and cycle efficiency. The close integration of all turbomachinery elements into a single integrally-geared (IG) machine creates a design that lends itself to power block modularization, which makes it suitable for waste heat recovery, fossil fuel power plants, and especially CSP applications. As part of the commercialization of this technology, it is necessary to reduce risk by validation testing of key components. In the current work, the focus is developing a test loop to enable safe testing of the main compressor stage across a wide range of operating conditions, and to validate the mechanical integrity of the turbine at full pressure, temperature, and speed. Developing a test loop for sCO2 requires balancing a number of design alternatives that impact cost, lead time, safety, and performance. The current work discusses the design process for the reduced flow test loop for the compander, and supporting documentation supporting the viability of the test loop

wilkes, jason↗
NASA NTRS1983

Limits to solar power conversion efficiency with applications to quantum and thermal systems

An analytical framework is presented that permits examination of the limit to the efficiency of various solar power conversion devices. Thermodynamic limits to solar power efficiency are determined for both quantum and thermal systems, and the results are applied to a variety of devices currently considered for use in space systems. The power conversion efficiency for single-threshold energy quantum systems receiving unconcentrated air mass zero solar radiation is limited to 31 percent. This limit applies to photovoltaic cells directly converting solar radiation, or indirectly, as in the case of a thermophotovoltaic system. Photoelectrochemical cells rely on an additional chemical reaction at the semiconductor-electrolyte interface, which introduces additional second-law demands and a reduction of the solar conversion efficiency. Photochemical systems exhibit even lower possible efficiencies because of their relatively narrow absorption bands. Solar-powered thermal engines in contact with an ambient reservoir at 300 K and operating at maximum power have a peak conversion efficiency of 64 percent, and this occurs for a thermal reservoir at a temperature of 2900 K. The power conversion efficiency of a solar-powered liquid metal magnetohydrodydnamic generator, a solar-powered steam turbine electric generator, and an alkali metal thermoelectric converter is discussed.

Byvik, C. E.↗
NASA NTRS1982

Thermodynamic limits to the conversion of blackbody radiation by quantum systems

Using general thermodynamic arguments, we analyze the conversion of the energy contained in the radiation from a blackbody to useful work by a quantum system. We show that the energy available for conversion is bounded above by the change in free energy in the incident and reradiated fields and that this free energy change depends upon the temperature of the receiving device. Universal efficiency curves giving the ultimate thermodynamic conversion efficiency of the quantum system are presented in terms of the blackbody temperature and the temperature and threshold energy of the quantum system. Application of these results is made to a variety of systems including biological photosynthetic, photovoltaic, and photoelectrochemical systems.

Buoncristiani, A. M.↗
DOE OSTI2021

Texture Formation in Polycrystalline Thin Films of All‐Inorganic Lead Halide Perovskite

Abstract Controlling grain orientations within polycrystalline all‐inorganic halide perovskite solar cells can help increase conversion efficiencies toward their thermodynamic limits; however, the forces governing texture formation are ambiguous. Using synchrotron X‐ray diffraction, mesostructure formation within polycrystalline CsPbI 2.85 Br 0.15 powders as they cool from a high‐temperature cubic perovskite (α‐phase) is reported. Tetragonal distortions (β‐phase) trigger preferential crystallographic alignment within polycrystalline ensembles, a feature that is suggested here to be coordinated across multiple neighboring grains via interfacial forces that select for certain lattice distortions over others. External anisotropy is then imposed on polycrystalline thin films of orthorhombic (γ‐phase) CsPbI 3‐ x Br x perovskite via substrate clamping, revealing two fundamental uniaxial texture formations; i) I‐rich films possess orthorhombic‐like texture (<100> out‐of‐plane; <010> and <001> in‐plane), while ii) Br‐rich films form tetragonal‐like texture (<110> out‐of‐plane; <110> and <001> in‐plane). In contrast to relatively uninfluential factors like the choice of substrate, film thickness, and annealing temperature, Br incorporation modifies the γ‐CsPbI 3− x Br x crystal structure by reducing the orthorhombic lattice distortion (making it more tetragonal‐like) and governs the formation of the different, energetically favored textures within polycrystalline thin films.

Steele, Julian A.↗
DOE OSTI2024

Structure Activity Relationships for Second‐Coordination Sphere Functional Group Dependent CO 2 Reduction by Manganese Bipyridyl Electrocatalysts

Abstract A series of twelve second coordination sphere (SCS) functionalized manganese tricarbonyl bipyridyl complexes are investigated for their electrocatalytic CO 2 reduction properties in acetonitrile. A qualitative and quantitative assessment of the SCS functional groups is discussed with respect to the catalysts’ thermodynamic and kinetic efficiencies, and their product selectivities. In probing a broad scope of functional groups, it is clear that only the aprotic ortho‐arylester SCS is capable of promoting the highly desired low‐overpotential proton‐transfer electron‐transfer (PT‐ET) pathway for selective CO production. The ortho‐phenolic analogues cause an increase in overpotential with a product selectivity favoring H 2 evolution, consistent with a high‐overpotential pathway via the anionic [Mn−H] − intermediate. Alternative aprotic Lewis base functional groups such as trifluoromethyl, morpholine and acetamide are shown to also be capable of intermediate manganese hydride generation. The tertiary amine substituent, 2‐morpholinophenyl, exhibits a desirable product distribution characteristic of syn‐gas (CO : H 2 =30 : 48) with an impressive turnover frequency, while the secondary amine group, 2‐acetamidophenyl, induces a notable shift in selectivity with a faradaic yield of 55 % for the formate (HCO 2 − ) product. In addition to their catalytic properties, cyclic voltammetry and infrared spectroelectrochemistry (IR‐SEC) studies are presented to probe pre‐catalyst electronic properties and the two‐electron reduction activation pathway.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Using Flory–Huggins-informed human-in-the-loop Bayesian optimization to map the phase diagram of polymer blends

Mapping the phase diagram of polymer blends is an essential step in controlling the structure–property relationship of polymer-based materials. However, traditional grid-based approaches are inefficient and rely on subjective judgements for terminating the experimental campaign. Artificial intelligence-guided experimentation offers a compelling alternative, especially when data-driven decision-making is interfaced with established polymer thermodynamics to improve efficiency and interpretability. Here, we introduce a physics-informed Bayesian optimization approach to guide the mapping of the phase diagram of a model blend containing poly(methyl methacrylate) and poly(styrene-ran-acrylonitrile). Physical information is derived from a Flory–Huggins representation of the spinodal curve, which is integrated into the Bayesian optimization process as a structured prior mean that acts as a soft constraint. Implemented as a human-in-the-loop workflow, the approach leverages optical imaging of film cloudiness with iterative Gaussian process surrogate modeling and a parameter selection decision policy to identify the composition-temperature conditions for sequential iterations. Convergence of kernel and Flory–Huggins-based hyperparameters provided a stopping criterion, ensuring an objective and interpretable termination of the experimental campaign. The framework recovered the known lower critical solution temperature (∼160 °C), while increasing material efficiency through targeted sampling. This work establishes a proof-of-concept for the application of Bayesian optimization workflows to study polymer blend miscibility.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Development of HPC based phase field simulations tool for modification of alloy morphology to enhance material properties during additive manufacturing (AM) process

Currently, additive manufacturing (AM) technology is extensively used to manufacture aerospace components because of the unique advantages of the technique in producing custom designs, complex geometries in a near-net fashion that significantly reduces the manufacturing cost, and improved energy efficiency. However, the thermodynamic properties of existing aerospace alloys and the thermal conditions that prevail in most of the powder-bed based additive manufacturing processes lead to undesirable columnar / columnar-dendritic microstructures that promote solidification cracking during the process, and the development of anisotropy in the mechanical properties of the as-built components. Time consuming, energy-intensive post AM treatments are required to recover the mechanical properties of the wrought components for which the existing alloy compositions were designed for. However, novel alloy compositions, that exploit the AM thermal conditions to produce fine, equiaxed grain structures in the as-built condition, with mechanical properties equal to or exceeding those of the wrought work-horse alloy, Ti-6Al-4V has recently been demonstrated in Ti-Cu alloys. Significant energy savings up to 66% can be obtained for a typical aerospace component through digitally designing the AM process, process parameters, and alloy composition. The current project focused on developing a fundamental understanding of the evolution of the columnar to equiaxed transition (CET) occurring during solidification under AM thermal conditions in Ti-Cu and Ti-Cu-X alloys using high-fidelity phase field (PF) simulations using the leadership class computing facilities that exist in the national laboratories. The simulations were able to capture the effect of alloy and process conditions on CET, and clearly showed the beneficial effect of a ternary solute addition to Ti-Cu binary alloys on CET. The simulations indicated that bulk nucleation in the liquid ahead of the solidifying epitaxial front was promoted by a large, transient, thermal undercooling promoted by the mismatch between the growth rate of the dendrite tips in the epitaxial front and the imposed solidification rate. AM experiments performed at Raytheon Technologies Research Center using the same thermal conditions used in the PF simulations indicated the formation of equiaxed grains, although the grain size was bigger than the ones reported in the literature. On the other hand, the equiaxed grain size predicted by PF simulations were smaller than the grain size of Ti-Cu alloys reported in the literature. The industry will follow up the existing work in a future program that would involve further optimization of the process for the Ti-Cu-X alloys to demonstrate the application of the process and the alloy to a specific aerospace component.

36 MATERIALS SCIENCE↗
NASA NTRS1971

Study of a heat rejection system using capillary pumping

Results of an analytical study investigating the application of capillary pumping to the heat rejection loop of an advanced Rankine cycle power conversion system are presented. The feasibility of the concept of capillary pumping as an alternate to electromagnetic pumping is analytically demonstrated. Capillary pumping is shown to provide a potential for weight and electrical power saving and reliability through the use of redundant systems. A screen wick pump design with arterial feed lines was analytically developed. Advantages of this design are high thermodynamic and hydrodynamic efficiency, which provide a lightweight easily packaged system. Operational problems were identified which must be solved for successful application of capillary pumping. The most important are the development of start up and shutdown procedures, and development of a means of keeping noncondensibles from the system and of earth-bound testing procedures.

Neal, L. G.↗
NASA NTRS1976

Cold-air annular-cascade investigation of aerodynamic performance of core-engine-cooled turbine vanes. 2: Pressure surface trailing edge ejection and split trailing edge ejection

The aerodynamic performance of two trailing edge ejection cooling configurations of a core-engine stator vane were experimentally determined in an ambient inlet-air full-annular cascade where three-dimensional effects could be obtained. The tests were conducted at the design mean-radius ideal aftermixed critical velocity ratio of 0.778. Overall vane aftermixed thermodynamic and primary efficiencies were obtained over a range of coolant flows to about 10 percent of the primary flow at a primary to coolant total temperature ratio of 1.0. The radial variation in efficiency and the circumferential and radial variations in vane-exit total pressure were determined. Comparisons are made with the solid (uncooled) vane.

Mclallin, K. L.↗
NASA NTRS1981

Orbiter fuel cell improvement assessment

The history of fuel cells and the theory of fuel cells is given. Expressions for thermodynamic and electrical efficiencies are developed. The voltage losses due to electrode activation, ohmic resistance and ionic diffusion are discussed. Present limitations of the Orbiter Fuel Cell, as well as proposed enhancements, are given. These enhancements are then evaluated and recommendations are given for fuel cell enhancement both for short-range as well as long-range performance improvement. Estimates of reliability and cost savings are given for enhancements where possible.

Johnson, R. E.↗
NASA NTRS2018

Electrolyzer Exergy Analysis for an Environmental Control and Life Support System

An exergy based analysis of the Environmental Control and Life Support System (ECLSS) aboard the International Space Station (ISS) is conducted to assess its overall performance. Exergy is chosen as a measure of performance because it accounts for both the first and second laws of thermodynamics. The exergy efficiency of a system is first defined as the total exergy destroyed by the system relative to the total exergy input to the system. To determine the ECLSS exergy efficiency, the system is divided into constituent subsystems which in turn are divided into assemblies and components. Based on this system decomposition, exergy balances are derived for each assembly or component. Exergy balances and supporting calculations are implemented in MATLAB® code. The major subsystems of the ECLSS considered in this analysis include the Atmosphere Revitalization Subsystem (ARS), Atmosphere Control and Supply Subsystem (ACS), Temperature and Humidity Control Subsystem (THC), Water Recovery and Management Subsystem (WRM), and Waste Management Subsystem (WM). This paper focuses on the ARS and its constituent assemblies and components. Exergy efficiency of the ARS and its constituent assemblies and components is first presented. The Oxygen Generation Assembly (OGA), an assembly within the ARS, is then highlighted because the exergy destruction by the OGA is a large magnitude contributor to the overall exergy destruction of the ECLSS. The OGA produces oxygen to meet the crew's metabolic demand via water electrolysis in a proton exchange membrane (PEM) electrolyzer. The exergy destruction of the OGA's PEM electrolyzer is a function of the amount of oxygen produced, which determines the necessary current density and voltage drop across the PEM electrolyzer. In addition, oxygen production in the PEM electrolyzer requires deviation from the Nernst potential, presenting trade-offs between the exergy efficiency and critical life support functions. The results of parametric studies of PEM electrolyzer performance are presented with an emphasis on the impacts of polarization and operational conditions on exergy efficiency.

Chow, Raymond↗
DOE OSTI2023

A carbon-efficient bicarbonate electrolyzer

Carbon efficiency is one of the most pressing problems of carbon dioxide electroreduction today. While there have been studies on anion exchange membrane electrolyzers with carbon dioxide (gas) and bipolar membrane electrolyzers with bicarbonate (aqueous) feedstocks, both suffer from low carbon efficiency. In anion exchange membrane electrolyzers, this is due to carbonate anion crossover, whereas in bipolar membrane electrolyzers, the exsolution of carbon dioxide (gas) from the bicarbonate solution is the culprit. Here, we first elucidate the root cause of the low carbon efficiency of liquid bicarbonate electrolyzers with thermodynamic calculations and then achieve carbon-efficient carbon dioxide electroreduction by adopting a near-neutral-pH cation exchange membrane, a glass fiber intermediate layer, and carbon dioxide (gas) partial pressure management. We convert highly concentrated bicarbonate solution to solid formate fuel with a yield (carbon efficiency) of greater than 96%. A device test is demonstrated at 100 mA cm -2 with a full-cell voltage of 3.1 V for over 200 h.

42 ENGINEERING↗
DOE OSTI2024

Harnessing dimethyl ether with ultra-low-grade heat for scaling-resistant brine concentration and fractional crystallization

Solvent-driven separations may enable scalable concentration of hypersaline brines, supporting a circular resource economy from the extraction of lithium and rare earth elements from spent battery and magnet leachates. This work analyses a novel solvent-driven water extraction (SDWE) system employing dimethyl ether (DME) and ultra-low-grade heat for brine concentration and fractional crystallization. SDWE exploits DME’s unique properties: (1) a low dielectric constant that promotes water solubility over charged solutes by a factor of 10 3 , and (2) a high volatility that facilitate efficient DME reconcentration with ultra-low-grade heat. The techno-economic viability of SDWE is assessed with a computational framework that encompasses a liquid–liquid separator and a solvent concentrator. We integrate the extended universal quasichemical model with the virial equation of state to predict the compositions of the complex three-phase DME-water mixture at vapor–liquid and liquid–liquid equilibrium. Subsequently, we optimize the thermodynamic and economic performance of SDWE, by controlling the interstage flash pressure, heat source temperature, and the number of concentrating stages. DME-based SDWE concentrates an input saline feed to 5.5 M and regenerates over 99 % of the DME using ultra-low-grade heat below 50 °C, with a DME/water selectivity ratio of 125. Here our calculations reveal that optimal performance is achieved at interstage flash pressures of 0.4 – 0.5 bar for heat source temperatures between 323–373 K, with improved exergetic efficiencies at lower temperatures. At a heat source temperature of 323 K and an interstage pressure of 0.489 bar, DME-driven SDWE achieves an optimal thermodynamic efficiency of 20.5 % and a projected specific cost of US$ 1.93 m -3 . These specific costs suggest that SDWE is competitive with commercialized thermal distillation technologies, while mitigating the traditional risks associated with scaling in heat and mass exchangers with hypersaline brines.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗