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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Study of Poly(ether ketone ketone) (PEKK): Outgassing Characteristics and Likely Residual Synthesis Impurities

In May-June, 2020, a study was conducted to characterize the outgassing properties of a series PEKK (Poly(ether ketone ketone)) samples using cryo-GC/MS headspace analysis. Three sets of samples were interrogated: sample group 1 consisted of 2 additively manufactured PEKK samples (PEKK "ole and "New") prepared by KCNSC from powder material from Solvay Specialty Polymers USA, LLC. Sample groups 2 and 3 consist of 5 PEKK powder types (used as feedstock for additive manufacturing processes) and 4 additively-manufactured PEKK material lots, respectively. Contrary to expectations, all samples of PEKK material were observed to outgas sulfur-containing compounds. Other analyses (EDS/EMA, GC-TOF/MS of PEKK sample extractions) confirmed the presence of sulfur in the PEKK bulk material. Specifically, Diphenyl sulfone (used as a reagent or high-temperature solvent in the synthesis of Polyaryletherketone or PAEK polymers) was observed in three of the powders and in both the PEKK "Old" and "New" samples, suggesting that the source of the sulfur can be traced to impurities in the material left over from the synthesis process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Structural stability of thin overhanging walls during material extrusion additive manufacturing of thermoset-based ink

Recent developments have enabled material extrusion additive manufacturing of thermoset-based composite inks on the large scale. In addition, printing out-of-plane components is of broad interest to the polymer material extrusion community. Here, we address some of the challenges associated with both large-scale and out-of-plane thermoset material extrusion additive manufacturing by studying the height at which thin overhanging walls collapse. Walls at a range of overhang angles were printed until they collapsed. An optical camera captured the profile of each wall throughout the print, allowing the collapse height to be identified and the geometric fidelity to the programmed angle to be evaluated. Using previously measured rheological properties, predictive models were generated to approximate the collapse height and profile of the deflected walls. First, an analytical model was created to predict the height at which the walls would yield. The analytical model assumes the walls exhibit a perfectly linear profile; however, experiments proved this assumption to be false. Therefore, a finite element simulation was developed to account for the elastic deflection that occurs during printing. The finite element simulation predicts both the yield height and the deflected profile after the deposition of each layer. For the properties of the thermoset ink used here, the yield height predicted by the analytical model and finite element simulation are virtually identical. These predictions match experimental data reasonably well, but minor errors are observed. Accounting for the fully plastic moment appears to explain the small mismatch between experimental data and predictions. Additionally, the finite element simulation provides an excellent prediction of the deflected profile before the wall begins to collapse. Finally, by demonstrating that the collapse height and deflected profile of thin overhanging walls can be predicted, this work illustrates how the soft viscoelastic properties of thermoset-based composite inks limit the scale of a key feature required to print some nonplanar components. It also provides a basis to tailor in-process curing systems to suppress deflection and collapse of thin overhanging walls.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Improve durability and surface quality of additively manufactured molds using carbon fiber prepreg

Hybrid tooling is an emerging concept introduced in the aerospace industries to reduce weight and cost of traditional tools. A hybrid tool features a skin, which provides desired surface quality, durability, and a low-density substrate to reduce the weight of the mold. The big area additive manufacturing (BAAM) technology permits rapid production of thermoplastic polymer intensive large-scale structures. The present study features a carbon fiber reinforced polyphenylene sulfide (CF-PPS) substrate fabricated using Oak Ridge National Laboratory's BAAM system. Carbon fiber-bismaleimide (CF-BMI) prepreg skin was then bonded to the BAAM tool through high-pressure autoclave molding. Process optimization was conducted to improve the bonding between CF-PPS and CF-BMI (transverse tensile strength increased from 0.54 to 4.8 MPa). Durability of the mold was demonstrated from fabricating seven (7) carbon fiber-Huntsman epoxy hand lay-up parts utilizing the mold.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Alginate–Sodium Sulfate Decahydrate Phase Change Composite with Extended Stability

Here, this study reports on the use of sodium alginate to effectively stabilize sodium sulfate decahydrate (Na 2 SO 4 ∙10H 2 O, SSD) based phase change material (PCM) for application as a thermal energy storage material. Alginate/SSD composite PCMs were prepared by blending SSD with different concentrations of alginate polymer. The resulting composite PCMs demonstrate high phase change enthalpy ~160 J/g and extended cycling stability compared to existing PCM composites. The analysis carried out by optical microscopy, X-ray scattering, and periodic density functional theory (DFT) calculations demonstrated that the stabilization effect was caused by the interplay between ionic and hydrogen bond interactions between the alginate and SSD. Additionally, the variation in mechanical properties of PCM composites with polymer concentrations made it possible to formulate a composite that maintains stable performance after 3D printing. The advanced properties make this composite a promising candidate for application as a thermal energy storage material.

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

Thermal stability of filler‐based ethylene/vinyl acetate/vinyl alcohol terpolymer in nitroplasticizer oxidative environment

Abstract To study the thermal stability of ethylene/vinyl acetate/vinyl alcohol (EVA‐OH) composite with filler particles, systematic thermogravimetric analysis (TGA) investigation was conducted in both nonisothermal and isothermal modes. The effect of polymer concentration on the aging behavior of EVA‐OH was investigated in the nitroplasticizer (NP) environment. Fourier transform infrared spectroscopy was used to probe chemical structural changes in the EVA‐OH polymer before and after thermal aging. The results suggest that filler addition accelerates the rate of NP exudation out of the EVA‐OH composites and deteriorates the thermal stability of NP at moderate temperatures (up to 70°C). The degradation of NP, in turn, accelerates the degradation of EVA‐OH polymer in its composite form through oxidation and hydrolysis indicating the importance of antioxidants in such phase blends.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A machine learning approach to determine the elastic properties of printed fiber-reinforced polymers

This work focuses on the simultaneous determination of the elastic constants and the fiber orientation state for a short fiber-reinforced polymer composite by performing a minimum of experimental tests. Here we introduce a methodology that enables the inverse determination of fiber orientation state and the in-situ polymer properties by performing tensile tests at the composite coupon level. We demonstrate the approach for the extrusion deposition additive manufacturing (EDAM) process to illustrate one application of the methodology, but the development is such that it can be applied to short fiber-reinforced polymer (SFRP) systems processed via other methods. Currently, developing composites additive manufacturing digital twins require extensive material characterization. In particular, the mechanical characterization of the orthotropic elastic properties of a composite involves extensive sample preparation and testing, therefore the elasticity tensor is generally populated using a micromechanics model. This, however, requires measuring the fiber orientation state in addition to knowing the constituent material properties. Experimentally measuring the fiber orientation state can be tedious and time consuming. Further, optical methods are limited to resolving the orientation of cylindrical fibers or cluster of non-cylindrical fibers, and computed tomography (CT) methods scan regions of volume that are much smaller than a full printed bead. Therefore, we propose a methodology, accelerated by machine learning, to identify the anisotropic mechanical properties and fiber orientation state at the same time. Early results show that inference of the fiber orientation and composite properties is possible with as few as three tensile tests. Our results show that a combination of the choice of the micromechanics model and reliable set of experiments can yield the nine elastic constants, as well as, the fiber orientation state.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Life cycle cost, energy, and carbon emissions of molds for precast concrete: Exploring the impacts of material choices and additive manufacturing

Molds for precast concrete are commonly used to create simple- to complex-shaped concrete products away from construction sites. These molds are often handmade from wood; however, additively manufacturing (AM, or 3D printing) fiber-reinforced polymer composites is an advantageous alternative, producing significantly more durable, highly complex molds faster, but likely at a higher cost. Here, this study explores the impact of material and production variables on the cost, energy, and carbon emissions of employing composite AM molds over the full lifecycle. The case study employed techno-economic and life cycle assessments to show that using wood flour–poly(lactic acid) or recycled carbon fiber–acrylonitrile butadiene styrene for AM molds can be less expensive than conventional wood molds, especially when considering use phase costs. While wood molds have the least environmental impacts due to wood's higher biogenic carbon sequestration and minimal processing, optimizing AM designs could reduce energy demand, carbon emissions, and cost.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Development of Antimicrobial PLA Composites for Fused Filament Fabrication

In addition to possessing the desirable properties of being a biodegradable and biocompatible polymer fabricated from renewable resources, poly (lactic acid) (PLA) has useful mechanical and thermal attributes that has enabled it to be one of the most widely-used plastics for medicine, manufacturing, and agriculture. Yet, PLA composites have not been heavily explored for use in 3D-printing applications, and the range of feasible materials for the technology is limited, which inhibits its potential growth and industry adoption. In this study, tunable, multifunctional antimicrobial PLA composite filaments for 3D-printing have been fabricated and tested via chemical, thermal, mechanical, and antimicrobial experiments. Thermally stable antimicrobial ceramics, ZnO and TiO2, were used as fillers up to 30 wt%, and poly (ethylene glycol) (PEG) was used as a plasticizer to tune the physical material properties. Results demonstrate that the PLA composite filaments exhibit the thermal phase behaviors and thermal stability suitable for 3D-printing. Additionally, PEG can be used to tune the mechanical properties while not affecting the antimicrobial efficacy that ZnO and TiO2 imbue.

TiO2↗
DOE OSTI2023

Binding of Li + to Negatively Charged and Neutral Ligands in Polymer Electrolytes

Conceptually, single-ion polymer electrolytes (SIPE) with the anion bound to the polymer could solve major issues in Li-ion batteries, but their conductivity is too low. Experimentally, weakly interacting anionic groups have the best conductivity. To provide a theoretical basis for this result, density functional theory calculations of the optimized geometries and energies are performed for charged ligands used in SIPE. Comparison is made to neutral ligands found in dual-ion conductors, which demonstrate higher conductivity. Further, the free energy differences between adding and subtracting a ligand are small enough for the neutral ligands to have the conductivity seen experimentally. However, charged ligands have large barriers, implying that lithium transport will coincide with the slow polymer diffusion, as observed in experiments. Overall, SIPE will require additional solvent to achieve a sufficiently high conductivity. Additionally, the binding of mono- and bidentate geometries varies, providing a simple and clear reason that polarizable force fields are required for detailed interactions.

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

Tuning the Mechanical Properties of Crosslinked Copolymers via Sequence and Solvent‐Selective Swelling for Vat Photopolymerization

Block copolymers (BCPs) offer distinct advantages for vat photopolymerization by enabling mechanically programmable network structures through microphase-separated morphologies that can be kinetically trapped during curing, yielding properties unattainable in homogeneous resins. However, the respective roles of repeat-unit sequence and solvent environment, together with their interplay in directing network formation and mechanical performance, remain unclear. Here, we synthesize a series of CO 2 -based polycarbonate copolymers comprising a crosslinkable glassy poly(vinyl cyclohexene carbonate) (PVCHC, A block) and a non-crosslinkable soft poly(propylene carbonate) (PPC, B block). The polymer sequence is systematically varied (ABA, BAB, and statistical), and solvent choice controls block-selective swelling to jointly control gelation behavior, microphase morphology, and mechanical response through changes in the accessibility and local environment of photocrosslinkable vinyl groups during network formation, as revealed by photorheology and small angle x-ray scattering. By tuning polymer sequence and curing solvent, we transform nominally identical formulations from brittle to highly ductile materials, achieving a three-orders-of-magnitude range in toughness (0.003 to 9.1 MJ m −3 ). These results establish clear structure–processing–property relationships and identify polymer sequence and selective solvation as powerful strategies for programming both printability and performance of block copolymer resins for additive manufacturing.

additive manufacturing↗
DOE OSTI2022

Evaluating Use of Boron- and Hafnium-Modified Polysilazanes for Ceramic Matrix Minicomposites

In this study, the potential of polymer-derived Ceramic Matrix Composites (CMCs) is demonstrated by addition of thin ceramic coatings on Carbon Fiber (CF) bundles. Boron- and hafnium- modified polysilazane liquid precursors were synthesized and used to infiltrate the fiber bundles of CF to fabricate lab-scale Si(B)CN/CF and Si(Hf)CN/CF CMC mini-composites, respectively. The precursor-to-ceramic conversion process was achieved at 800°C with crosslinked precursor to ceramic yield of approx. 90% in Ar environment. The Si(B)CN/CF contained Si-N and B-N bonds, while Si-N and Hf-O-Si bonds were observed for Si(Hf)CN/CF sample with uniform and dense surfaces. Room-temperature tensile tests showed that the Si(Hf)CN/CF sample could reach a tensile strength of ~790 MPa and elastic modulus of 66.88 GPa among the composites. Oxidation study of the Si(Hf)CN/CF mini-composites showed higher stability compared to SiCN/CF and Si(B)CN/CF mini-composites up to 1500°C.

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

Mastering the Copolymerization Behavior of Ethyl Cyanoacrylate as Gel Polymer Electrolyte for Lithium‐metal Battery Application

Polymers with strong electron-withdrawing groups (e.g., cyano-containing polymers) are attractive for a wide range of applications due to their high dielectric constant and outstanding electrochemical stability. However, the polymerization of such monomers is difficult to control with trace of water affording instant reactions, and copolymerization with other monomers without using strong acid is even more challenging. The present study demonstrates a facile approach enabling efficient and controllable copolymerization of ethyl cyanoacrylate (ECA) without adding undesired additives, achieving mechanically robust and high ion-conduction gel polymer electrolyte (GPE) for safe and long cycle-life lithium-metal batteries (LMBs). The incorporated dual-lithium salts, i.e., lithium difluoro(oxalato)borate (LiDFOB) and lithium bis(trifluoromethanesulphonyl)imide (LiTFSI) not only facilitate radical polymerization of ECA monomers by suppressing their anionic polymerization, but also promote the formation of high-ionic conducting GPE. The incorporated methyl methacrylate (MMA) monomer accelerates the radical polymerization of ECA (confirmed by DFT calculations), achieving controlled copolymerization of ECA-based copolymers. Here, the mechanically robust polymer network made by the ECA copolymer enables LMBs with both LFP cathodes and high-voltage LCO cathodes (4.5 V) operatable at different temperatures with ultra-long cycle life at 1 C (capacity retention of 81.1 % and 83.8 %, respectively, over 1000 cycles).

Min, Weixing [Nankai University, Tianjin (China)]↗
DOE OSTI2022

Developing New Polymeric Powder Feedstocks for Selective Laser Sintering: Emphasizing Particle Size and Shape

Although selective laser sintering is considered a major player in the additive manufacturing community, significant limitations exist when it comes to processing the polymeric powder feedstocks in the laser sintering machine. While these limitations – such as inadequate and uneven heating and complex thermal phenomena leading to curling and shrinkage – cannot be ignored and are being addressed in the community, it is also vitally important to turn our attention to the expansion of commercially available powder feedstocks. A major drawback of SLS is the lack of available feedstocks. At Los Alamos National Laboratory, a primary desire for advancement in the manufacturing or development of new feedstocks lies in the nuclear weapons applications program. New feedstocks with greater thermal stability and performance would provide the opportunity for insertion of production parts, rather than just prototype parts. Additionally, the ability to print with so-called commodity polymers like polyethylene and polypropylene poses great economic advantages for prototyping and production of large batches of parts. However, a gap exists between the Lab’s needs and what is commercially available – a gap which could be filled by collaboration with the broader industrial sector. Furthermore, connecting with and building relationships with industry partners allows for greater control and input in the developmental process of new powders. This would provide reliable feedstocks, improved quality assurance, and overall higher performance of processes across the additive manufacturing community.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A Multi-Streamline Approach for Upcycling PET into a Biodiesel and Asphalt Modifier

The non-degradable nature of petroleum-based plastics and the dependence on petroleum-based products in daily life and production are dilemmas of human development today. We hereby developed a plastic waste upcycling process to address these challenges. A multi-stream fraction strategy was developed to process poly (ethylene terephthalate) (PET) plastics into soluble and insoluble fractions. The soluble fraction was used as a sole carbon source for microbial fermentation to produce biodiesel precursor lipids with an appreciable bioconversion yield. The insoluble fraction containing fractionated polymers was used as the asphalt binder modifiers. The downsized PET additive improved the high-temperature performance of the asphalt binder by 1 performance grade (PG) without decreasing the low-temperature PG. Subsequent SEM imaging unveiled alterations in the micromorphology induced by PET incorporation. Further FTIR and 1 H NMR analysis highlighted the aromatic groups of PET polymers as a crucial factor influencing performance enhancement. The results demonstrated the multi-stream fraction as a promising approach for repurposing plastic waste to produce biodiesel and modify asphalt. Finally, this approach holds the potential to tackle challenges in fuel supply and enhance infrastructure resilience to global warming.

09 BIOMASS FUELS↗
DOE OSTI2021

An approach to identifying fibers and evolved compounds from flame resistant fabrics

Flame resistant (FR) fabrics have use in civilian, military, and industrial applications. Herein, this work describes the development of a methodology aimed at identifying the fiber composition of blended fabrics of unknown composition. Here, FR fabrics used in military uniforms, are studied using a combination of X-ray photoelectron spectroscopy (XPS), isothermal thermogravimetric analysis (TGA) and pyrolysis gas chromatography/mass spectrometry (Py-GC-MS). Elemental analysis of the fabrics using XPS yielded a preliminary determination of the composition of the polymer(s) and aided in the identification of FR additives. TGA and Py-GC-MS experiments were used for subsequent compound identification. In TGA the temperature of mass loss events was compared to reference materials, and in Py-GC-MS the pyrolysis products of the blended FR fabrics were compared to those from a series of potential parent fibers. It was possible to discern the composition of the parent fibers and the type of FR treatment added to fabrics because the thermal decomposition chemistry did not significantly change by blending the fibers to make fabrics.

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

High performance polymers for oil and gas applications

Proper material selection has been one of the most important aspects in the design of chemical process equipment. In particular, the oil and gas industry has transitioned from using metals to non-metals (e.g. advanced and high performance polymeric materials) in most of their structural components, coatings, equipment parts, and the like. It is therefore imperative to understand the advantages and limitations of these polymer materials before they can be effectively used for a specific application. This review article aims to provide an overview of the properties, applications, and durability against reactivity and degradation of high performance polymers commonly used in the oil and gas industry. These include polysulfone, polyetherimide, polyphenylene sulfide, polyetheretherketone, fluoropolymers, and other high performance thermosets, elastomers, and polymer nanocomposites. Further, this article covers the current research efforts in improving the properties of high performance polymers and expanding their applications (including 3D printing or additive manufacturing) in the oil and gas industry.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Solution Blowing Synthesis of Li-Conductive Ceramic Nanofibers

Solid state electrolytes (SSEs) offer great potential to enable high-performance and safe lithium (Li) batteries. However, the scale-up synthesis and processing of SSEs is a major challenge. In this work, three-dimensional networks of lithium lanthanum titanite (LLTO) nanofibers are produced through a scale-up technique based on solution blowing. Compared with the conventional electrospinning method, the solution blowing technique enables high-speed fabrication of SSEs (e.g., 15 times faster) with superior productivity and quality. Additionally, the room-temperature ionic conductivity of composite polymer electrolytes (CPEs) formed from solution-blown LLTO fibers is 70% higher than the ones formed from electrospun fibers (1.9 x 10 -4 vs 1.1 x 10 -4 S cm -1 for 10 wt % LLTO fibers). Furthermore, the cyclability of the CPEs made from solution-blown fibers in the symmetric Li cell is more than 2.5 times that of the CPEs made from electrospun fibers. These comparisons here show that solution-blown ion-conductive fibers hold great promise for applications in Li metal batteries.

36 MATERIALS SCIENCE↗