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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

16.52% Efficiency All-Polymer Solar Cells with High Tolerance of the Photoactive Layer Thickness

All-polymer solar cells (all-PSCs) have drawn growing attention and achieved tremendous progress recently, but their power conversion efficiency (PCE) still lags behind small-molecule-acceptor (SMA)-based PSCs due to the relative difficulty on morphology control of polymer photoactive blends. Here, in this work, low-cost PTQ10 is introduced as a second polymer donor (a third component) into the PM6:PY-IT blend to finely tune the energy-level matching and microscopic morphology of the polymer blend photoactive layer. The addition of PTQ10 decreases the π–π stacking distance, and increases the π–π stacking coherence length and the ordered face-on molecular packing orientation, which improves the charge separation and transport in the photoactive layer. Moreover, the deeper highest occupied molecular orbital energy level of the PTQ10 polymer donor than PM6 leads to higher open-circuit voltage of the ternary all-PSCs. As a result, a PCE of 16.52% is achieved for ternary all-PSCs, which is one of the highest PCEs for all-PSCs. In addition, the ternary devices exhibit a high tolerance of the photoactive layer thickness with high PCEs of 15.27% and 13.91% at photoactive layer thickness of ≈205 and ≈306 nm, respectively, which are the highest PCEs so far for all-PSCs with a thick photoactive layer.

14 SOLAR ENERGY↗
DOE OSTI2021

Comparison of liquid absorption-release of superabsorbent polymers in alkali-activated slag and Portland cement systems: An NMR study combined with additional methods

In this study, {sup 1}H low-field NMR was used to compare the liquid absorption-release behaviour of superabsorbent polymers (SAPs) in Portland cement (PC) paste, NaOH-activated slag (SH-AAS) paste, and water glass-activated slag (WG-AAS) paste. The liquid absorption of SAPs in the PC paste was lower than that in the SH-AAS paste and the WG-AAS paste. The liquid release was also faster, which was mainly due to the higher Ca{sup 2+} concentration in the pore fluid of the PC system. In the AAS system, although the Ca{sup 2+} concentration in the pore fluid was low, the Na{sup +} concentration was much higher than that in the PC system due to the activator. The Ca{sup 2+} in the PC system is an important factor affecting the swelling of SAPs, while in the AAS system, the swelling limitation of SAPs is the result of the combined effects of Ca{sup 2+} and Na{sup +}, with Na{sup +} being dominant.

36 MATERIALS SCIENCE↗
DOE OSTI2026

3D printed water-stable Cd-doped Cs 4 MnBi 2 Cl 12 /polylactic acid perovskite/polymer composites for high-flux X-ray scintillation

Stable and efficient X-ray scintillators are crucial for medical diagnostics, industrial, and defense applications. However, conventional scintillator technologies face a trade-off between stability, optimal performance, and sustainability. Herein, we introduce 3D-printed Cs 4 MnBi 2 Cl 12 (Pero1) and Cs 4 Cd 0.68 Mn 0.32 Bi 2 Cl 12 (Pero2) perovskite microcrystals embedded within a polylactic acid (PLA) polymer composite as X-ray scintillators, combining efficiency, stability, and sustainability. The orange luminescent perovskite powder phosphors exhibited poor water stability, which was successfully addressed through incorporation into PLA via filament extrusion and fused deposition modeling (FDM) 3D printing. The resulting composite films demonstrated remarkable water stability while maintaining uniform orange emission throughout the polymer matrix, as confirmed by 3D topography scanning and X-ray fluorescence mapping. Structural characterization revealed minimal chemical interaction between the perovskite and PLA matrix, with the composites retaining their crystalline properties. The PLA-Pero2 composite exhibited superior optical properties, with a photoluminescence quantum yield of 47%, nearly 17 times higher than that of PLA-Pero1 (2.8%), attributed to the effective suppression of non-radiative decay pathways through Cd 2+ doping. Under hard X-ray irradiation at synchrotron beamlines, both composites exhibited excellent radioluminescence, with emission peaks at 605 nm, a linear response across a wide X-ray flux range, and remarkable radiation stability, showing less than 3% intensity degradation after 600 seconds of continuous high-dose exposure. The PLA-Pero2 composite achieved a spatial resolution of 5 line pairs per millimeter and a contrast ratio of 0.255. These performance metrics, combined with the polymer's biodegradability and scalability through additive manufacturing, position PLA-based composites as a more sustainable alternative to conventional petroleum-based polymer scintillators for next-generation medical imaging, radiation monitoring, and industrial radiography applications.

3D Printing↗
DOE OSTI2020

Natural optical activity as the origin of the large chiroptical properties in π-conjugated polymer thin films

Polymer thin films that emit and absorb circularly polarised light have been demonstrated with the promise of achieving important technological advances; from efficient, high-performance displays, to 3D imaging and all-organic spintronic devices. However, the origin of the large chiroptical effects in such films has, until now, remained elusive. We investigate the emergence of such phenomena in achiral polymers blended with a chiral small-molecule additive (1-aza[6]helicene) and intrinsically chiral-sidechain polymers using a combination of spectroscopic methods and structural probes. We show that – under conditions relevant for device fabrication – the large chiroptical effects are caused by magneto-electric coupling (natural optical activity), not structural chirality as previously assumed, and may occur because of local order in a cylinder blue phase-type organisation. This disruptive mechanistic insight into chiral polymer thin films will offer new approaches towards chiroptical materials development after almost three decades of research in this area.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Upcycling linear low-density polyethylene waste to turbostratic graphene for high mass loading supercapacitors

Linear low-density polyethylene (LLDPE) waste is difficult to upcycle into more valuable carbon materials because it tends to completely decompose into small molecules during thermal processing. In this work, LLDPE is upcycled into a high quality turbostratic graphene using a pre-treatment step to oxidatively crosslink the polymer with the assistance of solid additives (KCl and K 2 CO 3 ) that improve crosslinking by increasing the effective surface area of the polymer melt during processing. After this pretreatment step, the crosslinked polymer could then be carbonized and catalytically graphenized between 400–950°C without decomposition of the polymer feedstock. The LLDPE derived graphene (LLDPE-G) obtained from this process has a Brunauer–Emmett–Teller (BET) specific surface area, up to 1800m 2 g -1 and average Raman I D /I G and I 2D /I G ratios of 0.85 and 0.57, respectively, indicating high quality graphene. When used as an electrode material in symmetric supercapacitors, LLDPE-G possesses a specific capacitance up to 175Fg -1 at a mass loading of 20mgcm -2 , which is two times the commercial requirement, yielding an areal capacitance of 3.5 Fcm -2 . Moreover, LLDPE-G exhibits exceptional cycling stability with a capacitance retention of 95.8 % after 100,000 cycles at a current density of 4.0 Ag -1 . Additionally, the KCl and K 2 CO 3 solids are recycled and reused over 3 complete reaction cycles to make new LLDPE-G with the material quality and electrocapacitive performance retained and verified after each cycle. Our approach creates new opportunities for upcycling waste LLDPE and other varieties of polyethylene into a higher value graphene used for electrochemical energy storage applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Modifying the pore size distribution in Fe-rich inorganic polymer mortars: An effective shrinkage mitigation strategy

Highlights: • Inorganic polymer mortar has mainly macropores and a drying shrinkage of 5.1 mm/m. • 2-methyl-2,4-pentanediol acts as air entrainer in inorganic polymer mortars. • Optimal dosage 2 wt% 2-methyl-2,4-pentanediol reduced drying shrinkage to 1.8 mm/m. • Heat curing inorganic polymer mortars reduced drying shrinkage more than 50%. • Blast Furnace slag addition increased drying shrinkage and reduced strength. Inorganic polymer (IP) binder is formed upon alkali-activation of Fe-rich (41 wt%) metallurgical slag leading to materials with mechanical properties comparable to ordinary Portland cement binders. Crack formation is reported in IPs, which can be related to volumetric stability, which is to date not thoroughly understood in IPs. This study determined the autogenous and drying shrinkage of IP mortars. Shrinkage mitigation strategies, such as the addition of 2-methyl-2,4-pentanediol (2MPL), blast furnace slag (GGBFS), and applying heat curing, were used separately or in combination. IP mortars exhibited autogenous expansion and high drying shrinkage. The addition of 2MPL led to a porosity increase, as air was entrained, decreasing the drying shrinkage with 64%. Additional heat curing had no effect on samples with 2MPL. Introducing GGBFS resulted in smaller pores, increasing drying shrinkage. Shrinkage in IP mortars is driven by its pore size distribution and higher shrinkage resulted in lower flexural strength.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Multiplexing core & sheath extrusion system development for additive manufacturing for inner-bead multi-material capability

Single-feed polymer extruders are widely used in large-format additive manufacturing (AM) systems; however, the increasing demand for multi-material functionality within a single part has driven significant innovation in this field. One approach involves robotic pick-and-place operations, while another explores mechanical switching of feed lines during extrusion. Although robotic pick-and-drop systems offer flexibility, they introduce longer layer times during material changes, which can negatively affect the structural integrity of the part. On the other hand, mechanical feed switching causes delays in material transitions, as the existing material must be flushed before the new material emerges from the nozzle. This poses particular challenges for smaller or more intricate parts. In this study we are developing a unique multiplexing extrusion system with core & sheath nozzle that combines two extruders via co-extrusion. This allows for a unique inside and outside inner-bead (i.e., within the same bead) multi-material capability. We believe that this technology will allow for combining neat and filled materials, ductile and stronger materials, and many other combinations to address the problems aforementioned above and disrupt the AM technology creating new opportunities and opening application areas.

Tekinalp, Halil [ORNL]↗
DOE OSTI2026

Accelerating ion transport by dynamic asymmetry of alternating polymer electrolytes

Polymer based electrolytes allow the absence of volatile components in batteries thus increasing their safety. Yet, they exhibit drawbacks based on their low conductivity. We have used an alternating polymer consisting of dimethyl siloxane (DMS) and ethylene glycol (EG) blocks to circumvent known disadvantages of the usually used polyethylene glycol (PEG). Incorporating dimethyl siloxane lowers the glass-transition temperature and thus reduces the segmental relaxation time, by dynamic asymmetry or internal plasticization of the constituting polymer blocks. The alternating structure ensures miscibility of the different components and hinders crystallization. Furthermore, the pure polymer, P(DMS 3 -alt-EG 4 ), shows a segmental relaxation time well in the range needed for polymer electrolytes. Mixtures of LiClO 4 and P(DMS 3 -alt-EG 4 ) show a drastically reduced temperature dependence of their DC conductivity in comparison to PEG based systems, resulting in an increase by two orders of magnitude at T = 5 °C and even three to four orders of magnitude at T = 0 °C. Addition of coordinating (acetonitrile) or non-coordinating (toluene) solvent increases conductivity either via additional plasticization or by weakening the Li-binding yet looking at the dynamics at low concentrations of additional solvent the mobility of the polymer is reduced. In conclusion, the solvent addition leads only at higher solvent concentration to a reduction in relaxation time.

Jakobi, Bruno [Louisiana State Univ., Baton Rouge,↗
DOE OSTI2024

H2 Materials Compatibility of Low Cost, High Pressure, Polymer H2 Dispensing Hoses

NanoSonic was recently awarded a DOE Phase IIB SBIR program for the commercialization of an innovative metal-free polymer based H2 dispensing hose to make H2 an economically viable fuel alternative to gasoline. During the Phase I and Phase II base programs, NanoSonic's H2 hose demonstrated ultra-high hydrostatic burst strength values > 31,000 psi where failure occurred due to fitting slippage, rather than hose burst. Additionally, our hoses survived > 51,000 pressure impulse cycles at 12,000 psi over a thermal cycle of -40 °C to 85 °C. These hoses also failed due to fitting slippage. Thus, our Phase IIB program is centralized on the addition of a new fitting, polymer hose refinement, and validation of a complete hose and fitting system certified for use with H2. While NanoSonic has partnered with the National Renewable Energy Laboratory (NREL) to test our hose on their robotic H2 dispensing system, we are also seeking durability with the H2 environment at the molecular level. Here, NanoSonic proposes a CRADA with Pacific Northwest National Laboratory (PNNL), who has expertise in H2 polymer materials compatibility. Together, we will determine the lifetime of our H2 hose polymer and composite constituents via: 1) time-temperature superposition (TTS) studies via dynamic mechanical analysis (DMA) under H2, 2) friction and wear resistance under in situ H2 tribometry, and 3) multi-axis strain testing under cryogenic conditions. PNNL has the unique test equipment essential to gain this type of insight and lifetime prediction data. Importantly, the work conducted under the proposed CRADA will increase the safety and reliability of our H2 hoses while expanding the market for use of our low H2 permeation polymers and durable cryogenic composites to realize the H2@Scale objectives to reduce the cost of H2.

08 HYDROGEN↗
DOE OSTI2025

Recovery of postconsumer mechanically recycled polymers

Mechanical recycling plays a key role in reducing landfill bound plastics that pollute our environment. This process converts plastic waste into marketable pellets by sorting, cleaning, grinding into flakes, compounding in the molten state, and ultimately pelletizing. A primary restriction for the widescale usage of mechanical recycling is the highly variable quality and mechanical properties of the plastic waste feedstock. Degradation can occur during the plastic life cycle with the consumer, during the mechanical processing itself, or during the complex sorting process required to produce the feedstock. This study explores how rheological characterization can mitigate the batch-to-batch variability and identify a potential application for each batch. Shear and extensional rheology of “application-specific” virgin high-density polyethylene (HDPE) and virgin polypropylene (PP) was used as the control for this categorization process. Recycled HDPE and PP from three different streams were then measured and compared to the results from the control study. Rheological measurements proved to be very effective at providing sufficient differentiation to categorize the recycled polymer as suitable for different applications such as injection molding, blow molding, or thermoforming. Finally, the usage of an additional step to sort the recycled polymers by their initial use application was found to achieve a remarkably consistent recovery of application-specific material properties. Furthermore, this secondary sorting could provide significant added value for mechanically recycled polymers.

Differential scanning calorimetry↗
DOE OSTI2024

Toolpath considerations for DED: Arc and laser welding

Directed energy deposition (DED) is a form of additive manufacturing that uses localized melted metal, similar to traditional arc welding, to construct an object. In comparison to polymer systems, metal systems can exert additional control over the build process through manipulation of the pool of melted metal, called the “melt pool.” This is especially important to maintain appropriate layer heights and create high quality builds. Additionally, metal systems allow site-specific control of the printed part, which enables advanced construction techniques that would otherwise not be possible. However, both of these types of control require support from the slicing software and, potentially, sensor feedback. This chapter will discuss these control processes and their basic implementation in a slicing program. The processes described here lay the foundation for more advanced solutions, particularly sensor feedback, that will be discussed later.

Borish, Michael↗
DOE OSTI2023

Nanotomography Investigation of 3D Printed Batteries with a Water-in-Salt Gel Polymer Electrolyte

3D printing, also known as additive manufacturing, has emerged as a promising strategy to design and fabricate future energy storage devices. Although significant progress has been reported, current 3D printed battery designs are still limited by the choice of the electrolyte, such as ceramic or conventional toxic organic electrolytes. Here, we incorporated the latest developments in aqueous batteries into a novel 3D printable battery that can be fabricated directly in an ambient environment that is also more environmentally friendly. Specifically, a gel polymer electrolyte with a water-in-salt concept was introduced in our 3D-printed batteries. Combining their advantages, the resulting 3D printable batteries show promise for much simplified processing conditions. Further, the structural, (electro-)chemical, and morphological evolution batteries are being investigated by synchrotron X-ray nanotomography and electrochemical analysis. Overall, our research explores the possibility of an easier and more environmentally friendly way to build 3D printable, customizable batteries for future technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Quantum chemically calculated Abraham parameters for quantifying and predicting polymer hydrophobicity

The leakage and accumulation of plastic in the environment is a significant and growing problem with numerous detrimental impacts and has led to a push toward the design and development of more environmentally benign materials. To this end, we have developed a quantum chemistry-based model for predicting the mobility of polymer materials from molecular structure. Hydrophobicity is used as a surrogate for mobility given that hydrophobic interactions drive much of the partitioning of contaminants in and out of various environmentally relevant compartments. To model polymer hydrophobicity, we adjusted a previously developed Quantum Chemically Calculated Abraham Parameter model to calculate Abraham parameters of small molecules from molecular structure information. The resulting model predicted the octanol-water partition coefficient (K OW ) of polymer repeating units with a root mean square error (RMSE) of 0.48 (log scale). Additionally, the hydrophobicity of high molecular weight polymer materials was captured through solubility parameters and Nile red staining experiments from the literature and predicted with RMSEs of 1.21 (J/cc) 0.5 and 3.42 nm, respectively. Finally, to test the environmental applicability of the model, the relative adsorption capacity of three polymers was predicted and used to unify sorption isotherms across multiple sorbates and polymer sorbents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

An Assessment of Additively Manufactured Bonded Permanent Magnets for a Distributed Wind Generator

In this paper, we examine and compare the performance of a generator design optimized using additively manufactured NdFeB-SmFeN in nylon-polymer-bonded permanent magnets (PMs) against a generator design with conventional NdFeB sintered PMs. To realize this, a commercially available 15-kW wind generator's rotor is re-optimized using both additively manufactured and sintered NdFeB magnets using simple geometric parameterization that allowed for two specific magnet shapes, namely, arc-shaped and crown-shaped designs. Results showed that for a similar generator performance, the designs with additively manufactured bonded PMs are more cost-competitive in terms of the estimated PM material cost and also have negligible eddy current magnet losses.

additive manufacturing↗
DOE OSTI2022

Additive manufacturing and testing of a ceramic heat exchanger for high-temperature and high-pressure applications for concentrating solar power

Heat exchangers with excellent corrosion and oxidation resistances are essential for the next-generation concentrating solar power (CSP) plants using a molten salt heat transfer fluid and a supercritical CO 2 Brayton power cycle that can operate at temperatures > 700 °C for higher efficiencies. Techniques were developed for additively manufacturing ceramic materials for applications involving high temperature, high pressure, and high corrosion resistance as needed for the CSP application. Based on a previous ceramic heat exchanger design with its cross-section geometry of the flow channels optimized for heat transfer and mechanical strength, lab-scale prototype heat exchangers, with integrated headers and incorporated flow channel dimensional compensations, were fabricated by using the binder jetting process. The printed prototype heat exchangers were successfully densified through the processes of liquid polymer infiltration and pyrolysis. In addition, thermophysical properties of the densified silicon carbide parts were measured to provide necessary design information. Experimental heat transfer testing of the lab-scale prototype heat exchanger was conducted, and the experimental data agreed reasonably well with the simulated results. Furthermore, this agreement provides validation of the simulation models for their applicability to the development of a full-scale ceramic heat exchanger.

14 SOLAR ENERGY↗
DOE OSTI2021

Topological Frustration as a New Parameter to Tune Morphology Revealed through Exploring the Continuum between A-B-C 3-Arm Star and Linear Triblock Polymers

Block polymers assemble into a variety of phase-separated morphologies based on volume fraction (φ) and interactions (χ) of the respective blocks. The arrangement of three different polymer blocks could either be a 3-arm star, with each block having one terminus attached to a common junction point or a linear A-B-C architecture. A versatile strategy is reported to synthesize a series of well-defined graft polymers that lie along the unexplored continuum between a 3-arm star and an A-B-C linear triblock polymer architecture. Using the technique of single-molecule insertion, precise control over the position of graft arm C along the B chain was achieved. A series of discrete graft polymers (PMMA-b-PS-g-PEO) with fixed φ and prescribed ω values that lie on the continuum between a 3-arm star (ω = 0) and linear triblock polymer (ω = 1) were synthesized. Morphological studies using small-angle X-ray scattering and conventional and energy-filtered transmission electron microscopy reveal the transition between lamellae, perforated lamellae, and cylindrical morphologies with systematic variation in the ω values, a trend attributed to the topological frustration and the associated χ values between the three blocks. Molecular dynamic simulations of coarse-grained models were found to predict phase diagrams that are consistent with the experimentally observed morphologies. Furthermore, our results suggest that changes in ω lead to topological frustration which is an important additional new design parameter that can be used to tune the morphology of multiblock polymers in addition to φ and χ.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Data-Efficient Methods for Determining Flory–Huggins χ Parameters in Multicomponent Polymer Formulations

Polymer formulations are essential in diverse applications including personal care products, coatings, paints, adhesives, and plastic materials. Designing these formulations requires navigating large, complex design spaces, where phase and self-assembly behavior critically impact performance. The Flory–Huggins χ parameter, which quantifies segmental miscibility, is widely used to parametrize the excess free energy of mixing in formulation models. In this work, we introduce two data-efficient, top-down methods for estimating χ parameters using the Random Phase Approximation (RPA): (i) Boundary Nonlinear Regression (Boundary-NLR), which fits theoretical spinodal boundaries to experimental phase boundaries, and (ii) Surrogate Model Inverse Parameter Estimation (SMIPE), which uses a Gaussian Process Classifier to fit sparse phase maps via a surrogate model. Both methods allow rapid parametrization of polymer field-theoretic models without the need for additional experiments. We evaluate these approaches on data sets involving polymer–solvent–nonsolvent ternary mixtures and block copolymer–solvent systems, demonstrating their robustness to experimental noise and their relevance for real-world formulation design.

copolymers↗
DOE OSTI2025

3D printed polymer gaskets for custom-form batteries

Additive manufacturing (AM) processes, like 3D printing, help to facilitate complex and customizable battery geometries which can provide design freedom and enhance volumetric energy density within electronic devices. AM materials must have the thermal and mechanical properties that enable printability, and when used in batteries, AM materials must also be chemically and electrochemically compatible with the battery chemistry. The compatibility between AM materials and the battery is of particular importance for the cell packaging materials which must be inert and are often overlooked. This study systematically studies AM-compatible polymeric materials for use as gaskets in lithium-ion cells. The materials investigated include three thermoplastics suitable for material extrusion printing: polylactic acid (PLA), polycarbonate, and polypropylene/polyethylene copolymer (PPPEC); and two photoresins suitable for vat photopolymerization (VPP) printing: an acrylate-based photoresin and a polyethylene glycol diacrylate photoresin. The AM gasket materials were tested in comparison to a conventional commercial polypropylene gasket. Mechanical testing (swell measurements and material stiffness) and electrochemical testing (linear sweep voltammetry and galvanostatic cycling of full cells) demonstrated that PLA and the VPP polymers were the least compatible with the lithium-ion battery chemistry, despite their prevalent use in studies of AM batteries, and that PPPEC was the most compatible.

3D printing↗