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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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580 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Modeling phase transformations in Mn-rich disordered rocksalt cathodes with machine-learning interatomic potentials

Mn-rich disordered rocksalt (DRX) cathode materials exhibit a phase transformation from a disordered to a partially disordered spinel-like structure (δ-phase) during electrochemical cycling. Here, in this computational study, we use charge-informed molecular dynamics with a fine-tuned CHGNet foundation potential to investigate the phase transformation in LixMn 0.8 Ti 0.1 O 1.9 F 0.1 . Our results indicate that transition metal migration occurs and reorders to form the spinel-like ordering in an FCC anion framework. The transformed structure contains a higher concentration of nontransition metal (0-TM) face-sharing channels, which are known to improve Li transport kinetics. Analysis of the Mn valence distribution suggests that the appearance of tetrahedral Mn 2+ is a consequence of spinel-like ordering, rather than the trigger for cation migration as previously suggested. Calculated equilibrium intercalation voltage profiles demonstrate that the δ-phase, unlike the ordered spinel, exhibits solid-solution signatures at low voltage. A higher Li capacity is obtained than in the DRX phase. This study provides atomic insights into solid-state phase transformation and its relation to experimental electrochemistry, highlighting the potential of machine-learning interatomic potentials for understanding complex oxide materials.

Zhong, Peichen [University of California, Berkeley↗
NASA NTRS2006

The 2004 NASA Aerospace Battery Workshop

Topics covered include: Super NiCd(TradeMark) Energy Storage for Gravity Probe-B Relativity Mission; Hubble Space Telescope 2004 Battery Update; The Development of Hermetically Sealed Aerospace Nickel-Metal Hydride Cell; Serial Charging Test on High Capacity Li-Ion Cells for the Orbiter Advanced Hydraulic Power System; Cell Equalization of Lithium-Ion Cells; The Long-Term Performance of Small-Cell Batteries Without Cell-Balancing Electronics; Identification and Treatment of Lithium Battery Cell Imbalance under Flight Conditions; Battery Control Boards for Li-Ion Batteries on Mars Exploration Rovers; Cell Over Voltage Protection and Balancing Circuit of the Lithium-Ion Battery; Lithium-Ion Battery Electronics for Aerospace Applications; Lithium-Ion Cell Charge Control Unit; Lithium Ion Battery Cell Bypass Circuit Test Results at the U.S. Naval Research Laboratory; High Capacity Battery Cell By-Pass Switches: High Current Pulse Testing of Lithium-Ion; Battery By-Pass Switches to Verify Their Ability to Withstand Short-Circuits; Incorporation of Physics-Based, Spatially-Resolved Battery Models into System Simulations; A Monte Carlo Model for Li-Ion Battery Life Projections; Thermal Behavior of Large Lithium-Ion Cells; Thermal Imaging of Aerospace Battery Cells; High Rate Designed 50 Ah Li-Ion Cell for LEO Applications; Evaluation of Corrosion Behavior in Aerospace Lithium-Ion Cells; Performance of AEA 80 Ah Battery Under GEO Profile; LEO Li-Ion Battery Testing; A Review of the Feasibility Investigation of Commercial Laminated Lithium-Ion Polymer Cells for Space Applications; Lithium-Ion Verification Test Program; Panasonic Small Cell Testing for AHPS; Lithium-Ion Small Cell Battery Shorting Study; Low-Earth-Orbit and Geosynchronous-Earth-Orbit Testing of 80 Ah Batteries under Real-Time Profiles; Update on Development of Lithium-Ion Cells for Space Applications at JAXA; Foreign Comparative Technology: Launch Vehicle Battery Cell Testing; 20V, 40 Ah Lithium Ion Polymer Battery for the Spacesuit; Low Temperature Life-Cycle Testing of a Lithium-Ion Battery for Low-Earth-Orbiting Spacecraft; and Evaluation of the Effects of DoD and Charge Rate on a LEO Optimized 50 Ah Li-Ion Aerospace Cell.

Source record↗
DOE OSTI2023

Polycarbonate‐Based Solid‐Polymer Electrolytes for Solid‐State Sodium Batteries

Solid-polymer electrolytes comprised of polypropylene carbonate (PPC) and varied sodium bis(fluorosulfonyl)imide (NaFSI) salt concentrations are investigated for implementation as a conductive solid polymer electrolyte into solid-state cathode composites utilizing a sodium-layered oxide active material. The ionic conductivity generally increases with NaFSI salt content, reaching ≈1 mS cm −1 at 80 °C at the highest salt concentration (PPC:NaFSI = 0.5:1). Through an all-in-one slurry casting method, Na 2/3 Ni 1/3 Mn 2/3 O 2 cathode composites are fabricated in which the dispersed PPC electrolyte acts as the primary binder. Enabled by a bilayer polymer electrolyte system, cycling performance with the PPC cathode electrolyte is optimized with respect to salt concentration and anode material. The best cyclability is achieved with a moderate salt concentration electrolyte (PPC:NaFSI = 5:1), showcasing an initial capacity of 83 mA h g −1 with a remarkable 80% capacity retention after 150 cycles at C/5 rate and 60 °C. The superior performance of the lower salt concentration electrolyte is attributed to better electrochemical stability, as confirmed by linear sweep voltammetry and online electrochemical mass spectrometry measurements. In conclusion, these results underscore the potential of carbonate-based polymer electrolytes and the importance of balancing electrolyte conductivity and stability in cell design.

25 ENERGY STORAGE↗
DOE OSTI2026

Asymmetric pathways for lithium extraction and recovery based on the two-phase equilibrium of layered oxides

Electrochemical intercalation offers a promising platform for Li + extraction. However, only limited types of electrode materials have been investigated. The challenge to broaden and tailor materials for electrochemical intercalation-based Li + extraction lies in the lack of understanding of material’s response upon co-intercalation of multiple ions, therefore, paired process design to enable reversible Li + extraction and recovery. Here, we showcase the design of asymmetric ion pathways for Li + extraction and recovery for host material with complex Li + and Na + interaction using layered cobalt oxide as a model material. The two-phase equilibrium of Na 0.48 CoO 2 and Li 0.94 CoO 2 governs Li + selectivity when a high depth of intercalation is achieved (low vacancy level). We show that the relative rate between ion exchange and intercalation is critical to determine the ion pathways. The relationship can be quantitatively compared using the average pseudo ion exchange rate (C pseudoIX ) and the intercalation rate (C inter ). The ion pathways at the three regimes with C pseudoIX > C inter , C pseudoIX ~ C inter , and C pseudoIX < C inter are constructed. By selecting the optimized ion pathway and particle size, we demonstrate 9.7×10 4 Li + selectivity with 99% purity Li + recovery from an initial 1:1000 Li: Na molar ratio solution using 115 mAh/g specific capacity.

electrochemistry↗
DOE OSTI2023

A Self‐Healing System for Polydicyclopentadiene Thermosets

Self-healing offers promise for addressing structural failures, increasing lifespan, and improving durability in polymeric materials. Implementing self-healing in thermoset polymers faces significant manufacturing challenges, especially due to the elevated temperature requirements of thermoset processing. To introduce self-healing into structural thermosets, the self-healing system must be thermally stable and compatible with the thermoset chemistry. This article demonstrates a self-healing microcapsule-based system stable to frontal polymerization (FP), a rapid and energy-efficient manufacturing process with a self-propagating exothermic reaction (≈200 °C). A thermally latent Grubbs-type complex bearing two N-heterocyclic carbene ligands addresses limitations in conventional G2-based self-healing approaches. Under FP's elevated temperatures, the catalyst remains dormant until activated by a Cu(I) co-reagent, ensuring efficient polymerization of the dicyclopentadiene (DCPD) upon damage to the polyDCPD matrix. The two-part microcapsule system consists of one capsule containing the thermally latent Grubbs-type catalyst dissolved in the solvent, and another capsule containing a Cu(I) coagent blended with liquid DCPD monomer. Using the same chemistry for both matrix fabrication and healing results in strong interfaces as demonstrated by lap-shear tests. In an optimized system, the self-healing system restores the mechanical properties of the tough polyDCPD thermoset. Self-healing efficiencies greater than 90% via tapered double cantilever beam tests are observed.

36 MATERIALS SCIENCE↗
NASA NTRS2026

Swamp Works Regolith Compaction Technologies

While the level of compaction below the lunar surface increases quickly after only a few cm of depth, in many cases during a construction mission there will be a need to excavate and transport regolith to a new location for cut-and-fill or horizontal construction of structures such as berms. In these cases to achieve high levels of bulk density, compaction must be per-formed. Additionally, in some cases surface technolo-gies such as systems that sinter/melt the surface may desire the maximum possible compaction at the sur-face to improve melting/heating performance and the final material strength properties. Kennedy Space Center’s (KSC) Swamp Works has developed two means of compaction, lunar and mar-tian compaction. Planetary Autonomous Compaction Technology (PACT) which is part of the Multifunction End Effector for Regolith Compaction Acquisition and Transfer (MEERCAT [1]) robotic arm end effector system’s capabilities and the Site Preparation Tooling for Operations on Mobility Platforms (STOMP [2]) vibratory roller compactor. PACT on MEERCAT has been demonstrated to a TRL 5 and STOMP to a TRL 4 in ambient testing. The results of PACT on MEERCAT and STOMP testing will be shared with results for various simulants including BP-1, ICN-LHT-1G (aka CSM-LHT-1G), RDW-LHT-1GH (a simulant developed for the Mason Tipping Point to match characteristics of ICN-LHT-1G), and Exolith LHS-1E. This will also include discus-sions on methods used to verify relative density before and after compaction and means to verify density effects below depth. To calculate relative density, maximum and minimum densities for simulants were taken from literature [3] [4] [5] and additional lab test-ing (publication in work).

vibration↗
DOE OSTI2026

Conceptual design study of neutron detectors for safeguards measurement of an irradiated pebble

Nuclear material control and accounting (MC&A) of pebble-bed reactors (PBRs) is challenging because a PBR utilizes hundreds of thousands of identical, unmarked pebbles that are continuously recirculated through the core. To develop tools that enable the implementation of international safeguards, especially in the context of MC&A of spent pebbles, we designed and simulated three neutron detection concepts to determine fissile content in individual pebbles: a differential die-away (DDA) detector, a californium interrogation prompt neutron (CIPN) detector, and a passive neutron albedo reactivity (PNAR) detector using Monte Carlo calculations. Burnup calculations were performed on the spent pebbles from the PBMR-400 classic PBR. The varying neutron and gamma source terms, and isotopic compositions in the spent pebbles calculated at various burnup levels were used in the neutron detector models. DDA was found to be sensitive to the number of passes a pebble has had through the core and to the fissile content contained in a spent pebble. Optimization in the DDA design further increased the neutron count rates and thus reduced counting uncertainty. Meanwhile, passive neutron counting using the same detector body could distinguish pebbles with different numbers of passes, but its response was dominated by neutron-emitting actinides and was not sensitive to fissile content. On the other hand, the PNAR technique was not viable for a single pebble but performed reasonably for a 27-pebble array, which suggested potential use for verification measurements of containers filled with 27 or more spent pebbles.

CIPN↗
DOE OSTI2026

Kinetic control of phase evolution and defect-mediated recombination in AACVD-grown copper antimony sulphide thin films

Copper antimony sulphide (CAS) is a multinary chalcogenide semiconductor in which small deviations from stoichiometry can drive phase competition and strong defect-mediated modulation of optoelectronic properties. However, the systematic roles of copper precursor fraction and deposition time in governing phase evolution, off-stoichiometry, and recombination dynamics in aerosol-assisted chemical vapour deposition (AACVD)-grown undoped CAS thin films remain insufficiently understood. In this work, undoped CAS thin films were deposited by AACVD using Cu(dedtc)2 and Sb(dedtc)3 single-source precursors at 550 °C and a carrier gas flow rate of 150 sccm, while the Cu(dedtc)2 mole fraction (x = 0.15 – 0.55) and deposition time (1 – 2 hours) were systematically varied to probe how growth kinetics influence phase composition, microstructure, and defect-mediated optical properties without post-deposition annealing or extrinsic doping. Increasing copper precursor content drives phase evolution toward tetrahedrite-dominant CAS films at intermediate Cu(dedtc)2 mole fractions, with the film deposited at x = 0.35 exhibiting the strongest tetrahedrite character within the parameter space examined. The films are also copper-rich, antimony-poor, and sulphur-deficient, consistent with off-stoichiometric growth and intrinsic defect formation, plausibly including copper interstitials, Cu-on-Sb antisites, and sulphur vacancies. These growth-dependent compositional deviations are accompanied by tunable indirect optical bandgaps of approximately 1.60 – 2.18 eV and weak visible photoluminescence governed by defect-mediated recombination. Time-resolved photoluminescence reveals bi-exponential decay behaviour with lifetimes of approximately 0.1 – 3.6 ns, with emission dominated by slower donor–acceptor pair recombination and a smaller contribution from faster trap-assisted pathways. Collectively, these results establish an explicit kinetic process–structure–defect–property relationship for AACVD-grown CAS thin films and provide a growth–structure–property framework relevant to future optimization of CAS-based optoelectronic and energy materials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Systematic Construction of Time-Dependent Hamiltonians for Microwave-Driven Josephson Circuits

Time-dependent electromagnetic drives are fundamental for controlling complex quantum systems, including superconducting Josephson circuits. In these devices, accurate time-dependent Hamiltonian models are imperative for predicting their dynamics and designing high-fidelity quantum operations. Existing numerical methods, such as black-box quantization (BBQ) and energy-participation ratio (EPR), excel at modeling the static Hamiltonians of Josephson circuits. However, these techniques do not fully capture the behavior of driven circuits stimulated by external microwave drives, nor do they include a generalized approach to account for the inevitable noise and dissipation that enter through microwave ports. Here, we introduce numerical techniques that leverage classical microwave simulations, efficiently executable in finite-element solvers, to obtain the time-dependent Hamiltonian of microwave-driven superconducting circuits with arbitrary geometries under charge, flux, or mixed electromagnetic modulation. Importantly, our techniques do not rely on a lumped-element description of the superconducting circuit, in contrast to previous approaches to tackling this problem. We demonstrate the versatility of our approach by characterizing the driven properties of realistic circuit devices in complex electromagnetic environments, including coherent dynamics due to charge and flux modulation, as well as drive-induced relaxation and dephasing. Our techniques offer a powerful toolbox for optimizing circuit designs and advancing practical applications in superconducting quantum computing.

Lu, Yao [Yale U.; Yale U. (main); Fermilab] (ORCID↗
NASA NTRS2026

Highly Porous Polyimide Gel for Use as Battery Separator with Room Temperature Ionic Liquid Electrolytes

Advanced aerospace vehicular concepts require advances in many existing technologies, including space power and energy storage systems. Batteries represent one of the major areas in need of improvement, both in terms of energy density and safety, with growing concerns over the fire safety of commercial lithium-ion batteries. This has prompted efforts to develop nonflammable battery components, namely the electrolyte and separator. Existing commercial lithium-ion batteries utilize polyolefin microporous membranes as separators with an electrolyte consisting of a lithium salt dissolved in a mixture of cyclic carbonate solvents. This separator/electrolyte combination has ionic conductivities in the range of 10 −2 to 10 −3 S/cm. However, the cyclic carbonate solvents are inherently flammable. Room-temperature ionic liquids (RTILs) appear to be a safer alternative. They offer good ionic conductivities and are inherently nonvolatile and nonflammable, giving them a safety advantage. However, many promising RTILs for battery electrolytes are not compatible with commercial polyolefin separator materials. Alternative separator materials, such as polyimides, are non-flammable and are capable of accepting RTILs into their structure. Polyimide gels, with a composition of 4,4′-oxydianiline, 3,3′,4,4′-tetracarboxylic dianhydride and cross-linked with Desmodur N3300A, possess an open-porous, fibrillar network architecture which offers a high degree of porosity (typically greater than 85% porosity) for lithium-ion transport and conduction, as well as good mechanical properties. Furthermore, these polyimide gels are compatible with selected imidazolium-based RTILs. Nonflammable separator/electrolyte systems with room-temperature conductivities in the range of 10 −3 S/cm have been evaluated. It has been demonstrated that 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide was the most promising among six RTILs screened, in terms of both ionic conductivity and constant current cycling.

Polyimide↗
DOE OSTI2025

Photosynthetic capacity is reduced by warming but unaffected by elevated CO2 in seedlings of five boreal tree species

Abstract Increasing atmospheric CO2 concentrations fuel global warming, with boreal regions warming at a faster rate than many other areas. Boreal forests are an important component of the global carbon cycle, yet we have little data on photosynthetic responses of boreal trees to elevated CO2 (EC) and warming. We grew seedlings of 5 widespread North American boreal tree species (from Betula, Larix, Picea, and Pinus) under current (410 ppm) or elevated (750 ppm) CO2 and either ambient (+0 °C) or increased (+4 °C or +8 °C) temperature, then measured photosynthetic traits over a range of leaf temperatures. Our results were generally consistent across species: photosynthetic capacity (maximum rates of Rubisco carboxylation, Vcmax, and electron transport, Jmax) was unaffected by EC but decreased under +8 °C warming. Accordingly, net photosynthesis measured at the growth CO2 concentration (Agrowth) was reduced under warming and increased under EC. The thermal optimum for Agrowth (ToptA) increased by ∼1.8 °C with EC but increased with warming in only two species. In contrast, the activation energies and thermal optima for Vcmax and Jmax, which are used to estimate photosynthesis in Earth System Models, were unaffected by growth environment. There were a few interactions between growth, CO2, and warming. These results suggest increased photosynthesis of widespread boreal tree species under EC may be offset by future reductions in photosynthetic capacity related to warming. We also show that the temperature sensitivities of parameters used to estimate global photosynthesis in large-scale models are generally unaffected by simulated climate change in these species.

Plant Sciences↗
NASA NTRS1995

Analysis of Gas Absorption to A Thin Liquid Film in the Presence of A Zero-Order Chemical Reaction

The paper presents a detailed theoretical analysis of the process of gas absorption to a thin liquid film adjacent to a horizontal rotating disk. The film is formed by the impingement of a controlled liquid jet at the center of the disk and subsequent radial spreading of liquid along the disk. The chemical reaction between the gas and the liquid film can be expressed as a zero-order homogeneous reaction. The process was modeled by establishing equations for the conservation of mass, momentum, and species concentration and solving them analytically. A scaling analysis was used to determine dominant transport processes. Appropriate boundary conditions were used to solve these equations to develop expressions for the local concentration of gas across the thickness of the film and distributions of film height, bulk concentration, and Sherwood number along the radius of the disk. The partial differential equation for species concentration was solved using the separation of variables technique along with the Duhamel's theorem and the final analytical solution was expressed using confluent hypergeometric functions. Tables for eigenvalues and eigenfunctions are presented for a number of reaction rate constants. A parametric study was performed using Reynolds number, Ekman number, and dimensionless reaction rate as parameters. At all radial locations, Sherwood number increased with Reynolds number (flow rate) as well as Ekman number (rate of rotation). The enhancement of mass transfer due to chemical reaction was found to be small when compared to the case of no reaction (pure absorption), but the enhancement factor was very significant when compared to pure absorption in a stagnant liquid film. The zero-order reaction processes considered in the present investigation included the absorption of oxygen in aqueous alkaline solutions of sodiumdithionite and rhodium complex catalyzed carbonylation of methanol. Present analytical results were compared to previous theoretical results for limiting conditions, and were found to have very good agreement.

S Rajagopalan↗
NASA NTRS2026

Modeling Large Dust Aerosols in the Community Earth System Model Version 2 (CESM2)

Dust aerosols have a wide size distribution from less than 0.1 to over 100 μm and dominate Earth's atmospheric aerosol mass. However, most Earth system models (ESMs) inadequately represent dust aerosols larger than 10 μm in diameter, limiting the accuracy of the simulated dust cycle and climate impacts. Here, we introduce a new modeling framework that captures the full observed size distribution of dust aerosols, incorporating recent advances into a mineral-resolved version of the Community ESM, while addressing known issues in previous versions. Comprehensive evaluation against diverse observations of bulk dust and component minerals demonstrates that the model reproduces the observed dust cycle across particle sizes. Incorporating the previously unrepresented large-dust fractions substantially alters dust budget estimates, highlighting potential changes in simulated climate impacts and underscoring the importance of comprehensive size-resolved dust modeling. Despite these advancements, uncertainties persist. Our results indicate that a size-dependent reduction in settling velocity is required to reproduce the observed dust size distribution downwind of source regions. Specifically, in the new model, the gravitational settling velocity of dust particles larger than 10 μm in diameter must be reduced by as much as 85% to achieve agreement with observations. This empirical reduction serves as a constraint on physics-based models of dust settling. Future developments should address misrepresented physical processes that hinder accurate modeling of the large dust aerosol transport. Expanding observational data sets covering the full-size distribution is also essential to better constrain the dust cycle and improve the representation of dust optical properties and climate effects.

mineral dust↗
DOE OSTI2025

Tree tensor network hierarchical equations of motion based on time-dependent variational principle for efficient open quantum dynamics in structured thermal environments

In this work, we introduce an efficient method, TTN-HEOM, for exactly calculating the open quantum dynamics for driven quantum systems interacting with highly structured bosonic baths by combining the tree tensor network (TTN) decomposition scheme with the bexcitonic generalization of the numerically exact hierarchical equations of motion (HEOM). The method yields a series of quantum master equations for all core tensors in the TTN that efficiently and accurately capture the open quantum dynamics for non-Markovian environments to all orders in the system–bath interaction. These master equations are constructed based on the time-dependent Dirac–Frenkel variational principle, which isolates the optimal dynamics for the core tensors given the TTN ansatz. The dynamics converges to the HEOM when increasing the rank of the core tensors, a limit in which the TTN ansatz becomes exact. We introduce TENSO, tensor equations for non-Markovian structured open systems, as a general-purpose Python code to propagate the TTN-HEOM dynamics. We implement three general propagators for the coupled master equations: two fixed-rank methods that require a constant memory footprint during the dynamics and one adaptive-rank method with a variable memory footprint controlled by the target level of computational error. We exemplify the utility of these methods by simulating a two-level system coupled to a structured bath containing one Drude–Lorentz component and eight Brownian oscillators, which is beyond what can presently be computed using the standard HEOM. Our results show that the TTN-HEOM is capable of simulating both dephasing and relaxation dynamics of driven quantum systems interacting with structured baths, even those of chemical complexity, with an affordable computational cost.

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

Effect of Thermodynamic and Environmental Factors on Crystallization of DNA‐Origami Superlattices

The directed self‐assembly of nanoscale materials into ordered superlattices presents a powerful strategy for creating next‐generation materials with programmable mechanical, optical, and photonic properties. Deoxyribonucleic acid (DNA) origami has emerged as a versatile scaffold for encoding nanoscale geometry and guiding the crystallization of complex 3D architectures. However, a systematic understanding of the parameters that govern the efficiency and quality of superlattice formation remains limited. In this study, we utilize octahedral DNA nanoscale frames as a model system to investigate the relative influence of key factors, including buffer composition, ionic strength, frame concentration, and thermal annealing protocols, on the size, order, and reproducibility of the resulting superlattices. Our findings provide a quantitative framework to rationally optimize DNA‐based assembly pathways. Structural characterization via small‐angle x‐ray scattering (SAXS), scanning electron microscopy (SEM), and optical microscopy validates the quality and fidelity of the assembled lattices. Moreover, by templating these DNA frameworks into inorganic replicas, we establish general design principles that extend beyond biomolecular systems, providing a foundation for the synthesis of programmable materials in broader nanofabrication contexts.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRSDate not supplied

A GPU-based Approach for Turbomachinery Application

Accurate modeling of coolant airflows, which form protective films over turbine blades, is essential for designing fuel-efficient and environmentally sustainable gas turbine engines. Excessive coolant reduces thermal efficiency, while insufficient coolant leads to blade overheating and causes damage. Therefore, precise prediction of flow field interactions with cooling air is critical for optimizing turbine performance. This study numerically investigates the cooling effectiveness of purge and film cooling flows within a high-pressure turbine (HPT) rotor using Large Eddy Simulation (LES). The study utilizes NASA Glenn Research Center’s Glenn-HT solver. The simulation models ethe conditions of the Penn State University START rotating rig. A high-fidelity structured mesh comprising up to 800 million cells is employed to resolve high-Reynolds number flow (Re ≈ 350,000) and to capture intricate secondary flow structures, including tip leakage and purge-induced vortices. Film cooling effectiveness computations are highly sensitive to boundary conditions at the cooling holes and to grid resolution. Even with well-resolved grids and included plena, strong mixing challenges traditional eddy viscosity models. To address this, a simplified configuration is simulated: a truncated row of shaped holes on the suction side near the leading edge and a row on the pressure side, both fed from internal plena while the purge slot and tip clearance are also modeled. Two isothermal LES cases are conducted at two distinct wall temperatures, which yield the adiabatic wall temperature and the heat transfer coefficient. The definition and means of computation of the effectiveness is discussed in this paper. The simulations reveal detailed three-dimensional unsteady flow features, including coherent vortical structures and secondary flows originating from the purge cavity. Film cooling effectiveness and Nusselt number distributions are presented for both the blade surface and tip, highlighting regions of elevated heat transfer and complex thermal behavior. These findings underscore the importance of high-resolution LES and realistic boundary conditions in capturing the dynamics of purge and film cooling, offering valuable insights for improving turbine blade design and thermal management strategies.

Gas Turbine↗
DOE OSTI2025

Influence of functional additives, fillers, and pigments on thermal and catalytic pyrolysis of polyethylene for waste plastic upcycling

Pyrolysis offers a relatively green and economical method to convert waste plastics into valuable chemicals and fuels without the need for harmful solvents, toxic chemicals, or costly high-pressure reactors. Despite its popularity among chemical upcycling technologies, industrial adoption suffers from feedstock heterogeneity, low-quality products, and catalyst deactivation. Most plastics in our daily lives are formulated with functional additives, fillers, and colorants. These additives remaining in end-of-life waste streams increase feedstock heterogeneity, creating a challenging issue in recycling plastics. Still, the potential impacts of additives on the chemical upcycling of plastics have been poorly understood. In this study, polyethylene compounded with a range of widely used additives (antioxidants, stabilizers, pigments, fillers, slip agents, and flame retardants) was subjected to both thermal pyrolysis and catalytic pyrolysis in different catalyst-to-feedstock contact modes. It showed that many inorganic additives, such as talc, kaolin, CaCO 3 , TiO 2 , carbon black, and zinc stearate, facilitated polymer decomposition during pyrolysis, increasing light hydrocarbons while also promoting aromatic and carbon residue formation. Conversely, antioxidants and stabilizers inhibited depolymerization, favoring heavier hydrocarbons. During catalytic pyrolysis with HZSM-5 zeolite, additives strongly enhanced aromatic and catalytic coke formation, especially when there was direct contact between plastics and catalysts. Although certain additives seem beneficial in the short term by promoting polymer cracking and improving the selectivity of aromatics, the transport of the additives and their degradation products and increased carbon coking can contaminate products, deactivate or modify catalysts, and foul reactors. These findings address a critical knowledge gap in effectively converting waste plastics via a greener route.

42 ENGINEERING↗
NASA NTRS1999

Dynamics and Structure of Weakly-Strained Flames In Normal- and Micro-Gravity

Strained laminar flames have been systematically studied, as the understanding of their structure and dynamic behavior is of relevance to turbulent combustion. Most of these studies have been conducted in opposed-jet, stagnation-type flow configurations. Flame studies in stagnation flows also allow for the determination of fundamental flame properties such as laminar flame speeds and extinction states that can be also conveniently modeled in detail. Studies at high strain rates are important in quantifying and understanding the response of vigorously-burning flames under conditions in which the transport time scales become comparable to the chemical time scales. Studies of weakly-strained flames can be of particular interest for all stoichiometries. For example, the laminar flame speeds for any equivalence ratio, phi, can be accurately determined by using the counterflow technique only if measurements are obtained at very low strain rates. Furthermore, near-limit flames can be only stabilized by weak strain rates. Previous studies have shown that weakly-burning flames are particularly sensitive to chain mechanisms, thermal radiation, and unsteadiness. The stabilization and study of weakly-strained flames is complicated by the presence of buoyancy that can render the flames unstable to the point of extinction. Such instabilities are caused either by the induced natural convection or the fact that higher density fluid can find itself on top of a lower density fluid. Thus, the use of microgravity (mu-g) becomes essential in order to provide meaningful insight into this important combustion regime. In view of the foregoing considerations, the main objectives of the program are to: (1) Experimentally determine the laminar flame speed at near-zero strain rates; (2) Experimentally determine the extinction limits of near-limit flames; (3) Experimentally determine the response of near-limit flames to unsteadiness and heat loss; (4) Introduce Digital Particle Image Velocimetry (DPIV) in microgravity; (5) Conduct detailed numerical simulations of the experiments; and (6) Provide physical insight into the underlying physico-chemical mechanisms.

Hai Zhang↗