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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Unraveling the multi-step crystallization mechanism of polytetrafluoroethylene, modified polytetrafluoroethylene, and their nanocomposites with boron nitride nanobarbs: Experimental insights and theoretical analysis

The non-isothermal crystallization behavior and kinetics of polytetrafluoroethylene (PTFE) composites with boron nitride nanobarb (BNNB), a new generation nanostructure with unique surface morphology and mechanical “barbs” have been analyzed, understanding these properties is essential for their high-end applications as thermal interface materials (TIM) for microwave, 5G and microelectronic devices. The analysis of the crystallization parameters includes crystallization onset, peak and end temperatures, crystallization half-life and overall crystallinity of PTFE, modified PTFE and their BNNB composites. The results were further analyzed using theoretical models such as the combined Avrami-Ozawa model. It was found that BNNB supports crystallization in the modified PTFE but shows minimal effect on the crystallization of PTFE. Due to the limitation of the classical theoretical models used above in fully characterizing the multi-step crystallization process of PTFE, an in-depth analysis using the model-free advanced isoconversional computation was used to characterize the PTFE crystallization based on the evolution of activation energy with fractional crystallinity and for the first time with temperature. Three kinetic regions were identified in the crystallization mechanism. Here, this study investigated the molecular organization and microstructural evolution of PTFE, modified PTFE and their composites during non-isothermal crystallization using advanced X-ray scattering measurements. An insight into the changes undergone by the material's microstructural units including crystallite size and morphology, lamellar thickness and lamellar interfacial layer thickness, and crystallographic phase dynamics during non-isothermal cooling from the melt, was provided here in this work. The effect of copolymer modification of PTFE and the inclusion of pristine and functionalized BNNB (a thermally conductive and electrically insulating ceramic) are both new investigations that provide valuable knowledge for the development of materials with strong matrix-nanofiller interaction and guidance for optimizing sintering and cooling cycles, two key steps in PTFE processing that largely affect the material microstructural features. Overall, the result of the three-part investigation demonstrates that BNNB supports crystallization in the modified PTFE up to 20 wt% concentration and at low and high cooling rates typically used in the industrial processing of PTFE.

36 MATERIALS SCIENCE↗
NASA NTRS1977

Isothermal degradation of poly-2,2'-/m-phenylene/-5,5'-bibenzimidazole

The isothermal degradation of poly-2,2'-(m-phenylene)-5,5'-bibenzimidazole in vacuo has been studied. Measurement of the increase in pressure with time, coupled with infrared analysis, was used to determine the distribution of the degradation products. Processes A and B with different second-order rate laws were determined to be significant in the temperature range of 550-700 C. Process A leads to the formation of equimolar quantities of hydrogen and ammonia and has an activation energy of 68 kcal/mole. Process B leads to the production of HCN, NH3, and H2 in the ratio of 1:1:2.5 and has an activation energy of 77 kcal/mole. The activation energies and the rate laws are consistent with a mechanism in which the initial degradation step is the bimolecular reaction of two aromatic rings.

Lerner, N. R.↗
NASA NTRS1991

Tidal disruption of inviscid protoplanets

Roche showed that equilibrium is impossible for a small fluid body synchronously orbiting a primary within a critical radius now termed the Roche limit. Tidal disruption of orbitally unbound bodies is a potentially important process for planetary formation through collisional accumulation, because the area of the Roche limit is considerably larger then the physical cross section of a protoplanet. Several previous studies were made of dynamical tidal disruption and different models of disruption were proposed. Because of the limitation of these analytical models, we have used a smoothed particle hydrodynamics (SPH) code to model the tidal disruption process. The code is basically the same as the one used to model giant impacts; we simply choose impact parameters large enough to avoid collisions. The primary and secondary both have iron cores and silicate mantles, and are initially isothermal at a molten temperature. The conclusions based on the analytical and numerical models are summarized.

Boss, Alan P.↗
NASA NTRS1992

High pressure experiments with a Mars general circulation model

The interaction of three physical processes will determine the stability of the Martian polar caps as the surface pressure increases: the greenhouse effect, atmospheric heat transport, and the change in the CO2 frost point temperature. The contribution of each is readily determined in the Mars general circulation model (GCM). Therefore, we have initiated experiments with the GCM to determine how these processes interact, and how the atmosphere-polar cap system responds to increasing surface pressure. The experiments are carried out for northern winter solstice and generally assume the atmosphere to be free of dust. Each experiment starts from resting isothermal conditions and runs for 50 Mars days. Mars' current orbital parameters are used. The experiments are for surface pressures of 120, 480, and 960 mb, which represent 16, 64, and 128 times the current value. To date we have analyzed the 120 mb experiment and the results indicate the contrary to the simpler models, the polar caps actually advance instead of retreat. Other aspects of this investigation are presented.

Haberle, R. M.↗
NASA NTRS1978

New High Temperature Cross Linking Monomers

This report describes the results of a one-year program designed to synthesize new, nonvolatile crosslinking monomers and to prove their feasibility in the development of lower temperature curing PMR-polyimide resins with high temperature capability. The objective of this program is to develop PMR-polyimide resins capable of being processed at a maximum temperature of 232C to 288C (450F to 500F) without sacrifice of the high temperature 316C (600F) capability of the state-of-the-art PMR-15 polyimide resin. Four monomethyl esters were synthesized and characterized for use in the crosslinking studies. It was found that all four crosslinkers were capable of entering into a crosslinking reaction to produce polymer specimens which were strong, dense and free of voids. The infrared and DSC studies of each crosslinker with monomers 4,4'-methylenedianiline (MDA) and the dimethyl ester of 3,3',4,4'-benzophenonetetracarboxylic acid (BTDE) comprising the resin systems, crosslinker/MDA/BTDE suggested that curing could be accomplished at 288C (550F). However, fabrication of dense, void free polymer specimens required a temperature of 316C (600F) and a pressure of 0.69 MPa (100 psi). The crosslinkers, monomethyl ester of 2,5-bicyclo[2.2.1]heptadiene-2,3-dicarboxylic acid (NDE) and monomethyl ester of maleic acid (MAE) were selected for evaluation in Celion 6000/PMR polyimide composites. These composites were characterized at RT, 288C (550F) and 316C (600F) initially and after isothermal aging at 288C (550F) and 316C (600F) for several hundred hours. The results of the isothermal aging studies suggested that both PMR systems NDE-MDA-BTDE and MAE-MDA-BTDE are promising candidates as matrices for addition type polyimide composites. These studies demonstrated that alternate crosslinkers to NE/MDA/BTDE are feasible, but mechanisms to lower the crosslinking temperature must be developed to provide lower temperature processing PMR-type polyimides.

Scola, Daniel A.↗
DOE OSTI2025

Simulated Moving Bed Process for CO 2 Capture from Humid Postcombustion Flue Gases Using MUF-16

Simulated moving bed (SMB) designs are increasingly being adapted for the separation of multicomponent gaseous mixtures. In this work, we develop a modified SMB process for capturing CO 2 from humid postcombustion flue gas using MUF-16 (MUF = Massey University Framework). MUF-16 shows excellent selectivity for CO 2 over N 2 , moderate heats of adsorption for CO 2 and H 2 O, and no competitive sorption of CO 2 over water at relative humidities relevant to postcombustion capture. We utilize these characteristics to propose a continuous process that uses N 2 from the feed as the desorbent for the water, eliminating the need for a separate desiccant bed and allowing for localized heating during desorption for H 2 O-saturated MOF beds. Single-component isotherms, single-column breakthrough experiments, and SO 2 stability tests suggest the excellent suitability of MUF-16 to this separation via the proposed SMB design.

CO2 capture from humid flue gas↗
NASA NTRS1976

Refinement of Promising Coating Compositions for Directionally Cast Eutectics

The successful application of high creep strength, directionally solidified gamma/gamma prime-delta (Ni-19.7Cb-6Cr-2.5Al) eutectic superalloy turbine blades requires the development of suitable coatings for airfoil, root and internal blade surfaces. In order to improve coatings for the gamma/gamma prime-delta alloy, the current investigation had the goals of (1) refining promising coating compositions for directionally solidified eutectics, (2) evaluating the effects of coating/ substrate interactions on the mechanical properties of the alloy, and (3) evaluating diffusion aluminide coatings for internal surfaces. Burner rig cyclic oxidation, furnace cyclic hot corrosion, ductility, and thermal fatigue tests indicated that NiCrAlY+Pt(63 to 127 micron Ni-18Cr-12Al-0.3Y + 6 micron Pt) and NiCrAlY(63 to 127 micron Ni-18Cr-12Al-0.3Y) coatings are capable of protecting high temperature gas path surfaces of eutectic alloy airfoils. Burner rig (Mach 0.37) testing indicated that the useful coating life of the 127 micron thick coatings exceeded 1000 hours at 1366 K (2000 deg F). Isothermal fatigue and furnance hot corrosion tests indicated that 63 micron NiCrAlY, NiCrAlY + Pt and platinum modified diffusion aluminide (Pt + Al) coating systems are capable of protecting the relatively cooler surfaces of the blade root. Finally, a gas phase coating process was evaluated for diffusion aluminizing internal surfaces and cooling holes of air-cooled gamma/gamma prime-delta turbine blades.

Strangman, T. E.↗
NASA NTRS1986

Low-cycle thermal fatigue

A state-of-the-art review is presented of the field of thermal fatigue. Following a brief historical review, the concept is developed that thermal fatigue can be viewed as processes of unbalanced deformation and cracking. The unbalances refer to dissimilar mechanisms occurring in opposing halves of thermal fatigue loading and unloading cycles. Extensive data summaries are presented and results are interpreted in terms of the unbalanced processes involved. Both crack initiation and crack propagation results are summarized. Testing techniques are reviewed, and considerable discussion is given to a technique for thermal fatigue simulation, known as the bithermal fatigue test. Attention is given to the use of isothermal life prediction methods for the prediction of thermal fatigue lives. Shortcomings of isothermally-based life prediction methods are pointed out. Several examples of analyses and thermal fatigue life predictions of high technology structural components are presented. Finally, numerous dos and don'ts relative to design against thermal fatigue are presented.

Halford, G. R.↗
DOE OSTI2025

Adsorptive behavior of poly (vinylidene fluoride) membranes for the recovery of lignin-derived hydrophobic deep eutectic solvents

Abstract Recently, membrane technology has gained significant traction as an energy-efficient alternative to traditional thermal processes for solvent recovery. Deep eutectic solvents (DESs) have emerged as sustainable alternatives to conventional organic solvents, yet a systematic methodology for selecting compatible membrane materials for their recovery remains underdeveloped. This study established a predictive framework for membrane material selection in hydrophobic DES applications using Hansen Solubility Parameters (HSP) with inverted criteria targeting materials with relative energy difference (RED) values greater than 1.0. Flat sheet membranes were fabricated via the non-solvent induced phase separation (NIPS) technique. Four NIPS fabricated polymer membranes were evaluated: polysulfone, cellulose acetate, polyvinylidene fluoride (PVDF) fabricated with polyethylene glycol (PEG) as a pore-forming agent, and polybenzimidazole (PBI). The HSP approach successfully predicted membrane-solvent compatibility, with polysulfone (RED = 0.6) and cellulose acetate (RED = 0.9) dissolving completely within 24 h, while PVDF (RED = 1.9) and PBI (RED = 1.1) maintained structural integrity throughout a 7-day exposure period. Furthermore, PVDF demonstrated superior performance with minimal weight gain (3.0%), hydrophobic surface characteristics (122° water contact angle), and enhanced mechanical properties following DES exposure. Comprehensive chemical and morphological characterization confirmed PVDF’s chemical stability and revealed a surface-selective interaction mechanism involving simultaneous PEG (pore-forming agent) extraction and DES component adsorption. Adsorption kinetics followed pseudo-first-order behavior with reversible characteristics, best described by the Temkin isotherm model (R² = 0.9987). PVDF membranes-maintained separation functionality with average lignin rejection (75.2 ± 7.69%) and demonstrated filtration permeability of 2.0 ± 0.34 LMH/bar. This methodology provides a rational approach for membrane selection in emerging solvent systems, contributing to the advancement of sustainable separation technologies for DES-based biomass processing applications.

Science & Technology - Other Topics↗
DOE OSTI2026

Perovskite design principles for efficient microwave dry reforming with noble metal free catalysts

Microwave absorbing catalysts have the potential to electrify high-temperature thermal reactions such as the dry reforming of methane process (DRM: CO 2 + CH 4 → 2CO + 2 H 2 ). However, microwave catalysts present unique challenges due to their dual requirements of maintaining microwave absorption in both oxidative and reductive environments and stability across a range of temperatures in inherently non-isothermal reactors. Here, catalyst candidates from the La 0.8 Sr 0.2 CoO 3 -La 0.8 Sr 0.2 NiO 3 -La 0.8 Sr 0.2 MnO 3 perovskite systems were screened (28 total) to identify promising microwave catalysts free of noble metals for dry reforming methane. The best performing candidates met two main criteria. First, they occurred at crystal phase boundaries, giving rise to a pseudocubic perovskite structure. The combined use of Goldschmidt tolerance factor and octahedral tolerance factors appeared to be suitable for predicting pseudocubic perovskites. Second, they provided a balance of reducible metal sites with an irreducible metal oxide support. The best performing catalyst was found to exsolve Ni-Co alloy particles as active sites for the DRM reaction which offered superior resistance to coking for excellent reforming efficiency and stability.

42 ENGINEERING↗
NASA NTRS1978

Computer-aided analysis and design of the shape rolling process for producing turbine engine airfoils

Mild steel (AISI 1018) was selected as model cold-rolling material and Ti-6Al-4V and INCONEL 718 were selected as typical hot-rolling and cold-rolling alloys, respectively. The flow stress and workability of these alloys were characterized and friction factor at the roll/workpiece interface was determined at their respective working conditions by conducting ring tests. Computer-aided mathematical models for predicting metal flow and stresses, and for simulating the shape-rolling process were developed. These models utilize the upper-bound and the slab methods of analysis, and are capable of predicting the lateral spread, roll-separating force, roll torque and local stresses, strains and strain rates. This computer-aided design (CAD) system is also capable of simulating the actual rolling process and thereby designing roll-pass schedule in rolling of an airfoil or similar shape. The predictions from the CAD system were verified with respect to cold rolling of mild steel plates. The system is being applied to cold and hot isothermal rolling of an airfoil shape, and will be verified with respect to laboratory experiments under controlled conditions.

Lahoti, G. D.↗
NASA NTRS1990

Electron energetics in the inner coma of Comet Halley

A quasi-two-dimensional model of the spatial and energy distribution of electrons in the inner coma of Comet Halley has been constructed from a spherically symmetric ion density profile based on Giotto measurements, using the two-stream electron transport method and the time-dependent electron energy equation. A sharp jump in the electron temperature was found to be present at a cometocentric distance of about 15,000 km. This thermal boundary separates an inner region where cooling processes are dominant from an outer region where heat transport is more important. Both thermal and suprathermal electron populations exist inside the thermal boundary with comparable kinetic pressures. Outside the thermal boundary, a cloud electron population does not exist, and the electrons are almost isothermal along the magnetic field lines.

Gan, LU↗
DOE OSTI2025

Computational investigation of water glasses using machine-learning potentials

The molecular origins of water’s anomalous properties have long been a subject of scientific inquiry. The liquid–liquid phase transition hypothesis, which posits the existence of distinct low-density and high-density liquid states separated by a first-order phase transition terminating at a critical point, has gained increasing experimental and computational support and offers a thermodynamically consistent framework for many of water’s anomalies. However, experimental challenges in avoiding crystallization near the postulated liquid–liquid critical point have focused attention to water’s canonical glassy states: low-density and high-density amorphous ice. Here, we use two Deep Potential machine-learning models, trained on the Strongly Constrained and Appropriately Normed density functional and the highly accurate Many-Body Polarizable potential, to conduct an investigation of water’s glassy phenomenology based on quantum mechanical calculations. Despite not being explicitly trained on amorphous ices, both models accurately capture the structure and transformation of the water glasses, including their interconversion along different thermodynamic paths. Isobaric quenching of liquid water at various pressures generates a continuum of intermediate amorphous ices and density fluctuations increase near the liquid–liquid critical pressure. The glass transition temperatures of the amorphous ices produced at different pressures exhibit two distinct branches, corresponding to low-density and high-density amorphous ice behaviors, consistent with experiment and the liquid–liquid transition hypothesis. Extrapolating transformation pressures from isothermal compressions to experimental compression rates brings our simulations into excellent agreement with data. Our findings demonstrate that machine-learning potentials trained on equilibrium phases can effectively model nonequilibrium glassy behavior and pave the way for studying long-timescale, out-of-equilibrium processes with quantum mechanical accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1982

Equivalent damage: A critical assessment

Concepts in equivalent damage were evaluated to determine their applicability to the life prediction of hot path components of aircraft gas turbine engines. Equivalent damage was defined as being those effects which influence the crack initiation life-time beyond the damage that is measured in uniaxial, fully-reversed sinusoidal and isothermal experiments at low homologous temperatures. Three areas of equivalent damage were examined: mean stress, cumulative damage, and multiaxiality. For each area, a literature survey was conducted to aid in selecting the most appropriate theories. Where possible, data correlations were also used in the evaluation process. A set of criteria was developed for ranking the theories in each equivalent damage regime. These criteria considered aspects of engine utilization as well as the theoretical basis and correlative ability of each theory. In addition, consideration was given to the complex nature of the loading cycle at fatigue critical locations of hot path components; this loading includes non-proportional multiaxial stressing, combined temperature and strain fluctuations, and general creep-fatigue interactions. Through applications of selected equivalent damage theories to some suitable data sets it was found that there is insufficient data to allow specific recommendations of preferred theories for general applications. A series of experiments and areas of further investigations were identified.

Laflen, J. R.↗
DOE OSTI2026

Dynamic Evolution of Mass and Physical Properties of Atmospheric Organic Aerosol under Solar Irradiance

Organic aerosol (OA) particles constitute a substantial fraction of sub-micron particulate mass in the atmosphere and play a critical role in climate system. OA undergoes dynamic aging processes in the atmosphere, with photolytic aging induced by ultraviolet solar irradiance being an important yet poorly characterized mechanism. Knowledge gaps persist regarding the role of volatility transformations during photolytic aging on the OA mass decay kinetics and the evolution of climate-relevant properties, such as hygroscopicity, hindering the model evaluation of OA spatiotemporal distributions and atmospheric budgets. In this study, we conduct isothermal photolytic aging experiments on both laboratory-generated secondary organic aerosols and ambient-collected particles from urban Atlanta, utilizing a high-sensitivity Quartz Crystal Microbalance. Our results reveal that photolytic aging reduces 40–66% of the low-volatility OA mass with lifetimes ranging from 8 to 200 hours under solar irradiance, and 44–92% of the photolytic mass loss is through slow evaporation of semi- or intermediate-volatile products, kinetically limited by their volatility. We observe up to ±50% changes in OA hygroscopicity with the transformation of fresh OA to photo-recalcitrant low-volatility products, associated with changes in oxygen-to-carbon ratio and molecular weight. A kinetic model incorporating photolytic volatility transformation provides a cohesive explanation for the observed photolysis-induced changes in mass, volatility, and hygroscopicity. Our results can help constrain model representation of the dynamic evolutions of mass and climate-relevant properties during photolytic aging processes of the ambient OA, improving our understanding of OA atmospheric behavior and climate impact.

Bai, Bin↗
DOE OSTI2025

A fully light-driven approach to separate carbon dioxide from emission streams

Carbon capture from industrial point sources is an essential component of the global effort to mitigate climate risks. However, traditional approaches require significant energy input—often provided, counterproductively, by fossil fuel combustion. Using sunlight directly as the energy source would significantly improve the energy efficiency of carbon capture processes. Herein, we report the first fully visible-light-driven CO 2 separation system, in which carbon capture is achieved via the photoenolization/addition reaction of inexpensive 2-methylbenzophenone with CO 2 , and CO 2 release is realized through an intramolecular photodecarboxylation reaction. Finally, this system operates isothermally, works with natural sunlight, and facilitates CO 2 removal from natural gas flue emissions, providing a blueprint for other non-thermal chemical separations.

Ahmad, Bayu I. Z. [Cornell Univ., Ithaca, NY (Unit↗
NASA NTRS2001

The Vitrification and Determination of the Crystallization Time Scales of a Zr58.5Nb2.8Cu15.6Ni12.8Al10.3 Bulk Metallic Glass Forming Liquid

Zr58.5Nb2.8Cul5.6Nil2.8All0.3 is the first bulk glass forming liquid that does not contain beryllium to be vitrified by purely radiative cooling in the containerless electrostatic levitation process. The measured critical cooling rate is 1.75 K/s. The sluggish crystallization kinetics enable the determination of the time-temperature-transformation (TTT) diagram between the liquidus and the glass transition temperatures. At the nose of the TTT diagram, the shortest time to reach crystallization in an isothermal experiment is 32 seconds. In contrast to other bulk metallic glasses the scatter in the crystallization onset times are small at both high and low temperatures.

Hays, C. C.↗
NASA NTRS2007

Correlation between Mechanical Behavior and Actuator-type Performance of Ni-Ti-Pd High-temperature Shape Memory Alloys

High-temperature shape memory alloys in the NiTiPd system are being investigated as lower cost alternatives to NiTiPt alloys for use in compact solid-state actuators for the aerospace, automotive, and power generation industries. A range of ternary NiTiPd alloys containing 15 to 46 at.% Pd has been processed and actuator mimicking tests (thermal cycling under load) were used to measure transformation temperatures, work behavior, and dimensional stability. With increasing Pd content, the work output of the material decreased, while the amount of permanent strain resulting from each load-biased thermal cycle increased. Monotonic isothermal tension testing of the high-temperature austenite and low temperature martensite phases was used to partially explain these behaviors, where a mismatch in yield strength between the austenite and martensite phases was observed at high Pd levels. Moreover, to further understand the source of the permanent strain at lower Pd levels, strain recovery tests were conducted to determine the onset of plastic deformation in the martensite phase. Consequently, the work behavior and dimensional stability during thermal cycling under load of the various NiTiPd alloys is discussed in relation to the deformation behavior of the materials as revealed by the strain recovery and monotonic tension tests.

Bigelow, Glen S.↗