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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 163 records · Page 9

Comparative Life Cycle Assessment of Injection Molded and Big Area Additive Manufactured NdFeB Bonded Permanent Magnets

Permanent magnets are expected to play a crucial role in the realization of the clean economy. In particular, the neodymium-iron-boron (Nd2Fe14B or NdFeB) magnets, which have the highest energy density among rare earth permanent magnets, are needed for building more efficient windmill generators, electric vehicle motors, etc. Currently, near-net shape magnets can be either made through sintering and compression molding with extensive post machining or directly through injection molding. However, injection molding has a loading volume fraction limitation of 0.65 for nylon binders. A novel method of manufacturing bonded permanent magnets with loading fraction greater than 0.65 has been demonstrated using Big Area Additive Manufacturing (BAAM) printers. As energy density is directly proportional to the square of the magnet loading fraction, magnets produced using BAAM printers require less volume and magnetic material compared to that of injection molded magnets on average. A comparative LCA shows that this difference in magnetic powder consumption nearly constitutes the difference in the environmental impact categories. Even after assuming recycled magnetic input, the BAAM magnets perform better environmentally than injection molded magnets, especially in the ozone depletion category. Since BAAM printers can accommodate even higher loading fractions, at scale, BAAM printers possibly can bring about a significant decrease in rare earth mineral consumption and environmental emissions. So furthermore, single screw extrusion enables BAAM printers to have high print speeds and allow them to be economically competitive against injection molding. Therefore, BAAM printed magnets show promise in transitioning towards the clean economy.

36 MATERIALS SCIENCE↗

Self-Assembling Cell-Free Systems for Scalable Bioconversion

This project focused on developing cell-free systems to directly express multi-enzyme catalysts and perform CO2 bioconversions for industrial chemical production. The use of cell-free expression (CFE) systems derived from bacterial lysates is emerging as a promising approach for biomanufacturing. CFEs are genetically programmable, permit the expression of toxic enzymes, and allow for rapid prototyping of metabolic pathways. Research Contributions: 1. Understanding the Area Investigated: This research advances the understanding of cell-free systems by demonstrating their capability to perform complex multi-enzyme reactions. By directly expressing multi-gene systems, CFEs avoid the high costs and inefficiencies associated with producing and purifying enzymes for multi-step pathways. 2. Technical Effectiveness and Economic Feasibility: The project successfully engineered a CFE-based multienzyme biocatalyst for the de novo synthesis of serine and glycine from CO2 equivalents (formate and bicarbonate) and ammonia. This method achieved a 30% conversion rate of formate into these industrially important amino acids. Additionally, an 8-gene CFE biocatalyst was developed to produce malate, conserving 43% of carbon that would otherwise be lost as CO2. This approach has the potential to reach higher carbon efficiency than microbial production. 3. Public Benefit: The cell-free production of chemicals like serine, glycine, and malate using electrochemically generated formate could significantly reduce CO2 emissions. For example, satisfying the global malate market with this method could avoid approximately 400,000 tons of CO2 emissions annually. This work demonstrates the potential of CFE systems to produce platform chemicals, contributing to environmental sustainability and reducing reliance on petrochemicals. Future Prospects: The CFE-based biocatalyst process could be extended to produce a variety of chemicals, including other industrial di-acids, aromatics, terpenes, alcohols, and polymers. This project showcases the capabilities of cell-free expression systems for prototyping carbon-conserving pathways and sustainably bioproducing platform chemicals, marking a significant step towards economically-viable industrial processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Three-in-One Hybrid Strategy for High-Performance Semiconducting Polymers Processed from Anisole

The development of semiconducting polymers with good processability in green solvents and competitive electrical performance is essential for realizing sustainable large-scale manufacturing and commercialization of organic electronics. A major obstacle is the processability-performance dichotomy that is dictated by the lack of ideal building blocks with balanced polarity, solubility, electronic structures, and molecular conformation. Herein, through the integration of donor, quinoid and acceptor units, an unprecedented building block, namely TQBT, is introduced for constructing a serial of conjugated polymers. The TQBT, distinct in non-symmetric structure and high dipole moment, imparts enhanced solubility in anisole—a green solvent—to the polymer TQBT-T. Furthermore, PTQBT-T possess a highly rigid and planar backbone owing to the nearly coplanar geometry and quinoidal nature of TQBT, resulting in strong aggregation in solution and localized aggregates in film. Remarkably, PTQBT-T films spuncast from anisole exhibit a hole mobility of 2.30 cm 2 V -1 s -1 , which is record high for green solvent-processable semiconducting polymers via spin-coating, together with commendable operational and storage stability. The hybrid building block emerges as a pioneering electroactive unit, shedding light on future design strategies in high-performance semiconducting polymers compatible with green processing and marking a significant stride towards ecofriendly organic electronics.

36 MATERIALS SCIENCE↗

Hybrid polymer network cathode-enabled soluble-polysulfide-free lithium–sulfur batteries

Among the emerging 'beyond lithium-ion' technologies for maximized sustainability, lithium-sulfur (Li-S) is a favoured chemistry because of its exceptional energy density from the conversion of sulfur, an element in abundant supply. However, the dissolution of several intermediate polysulfides formed during conversion leads to rapid performance degradation over cycling. Here, in this study, we address this issue by sulfurizing a hybrid polymer network with polyphosphazene and carbon as a cathode for Li-S batteries. With rich sites to re-bond and adsorb dissociative sulfur species, this hybrid polymer network circumvents the formation of soluble polysulfides and enables a unique, reversible inserting conversion reaction. Thus, our cathode delivers both high capacity (~900 mAh g -1 cathode ) and excellent cycling stability in Li-S coin cells, with a pouch cell demonstration of projected energy density of ~300 Wh kg -1 and 84.9% capacity retention after 150 cycles. The strategy can be extended to other cost-effective, recyclable polymers, advancing sulfur-based batteries towards practical energy storage application.

25 ENERGY STORAGE↗

Application of Regolith Polymer Composite FFF Construction in Simulated Lunar Conditions

NASA’s Artemis program has the lofty goal of creating a sustained lunar presence to provide unprecedented opportunities for scientific discovery and to ensure American industry’s access to the unlimited resources and commercial potential in space. To achieve this goal, NASA must incrementally develop and expand its capabilities beyond the short lunar stays of the Apollo program to a robust continued presence with infrastructure and equipment to reduce mission risk by providing safer and more reliable access to the surface, its resources, and protection from the environment. Kennedy Space Center’s Swamp Works Granular Mechanics and Regolith Operations laboratory has partnered with AI SpaceFactory to develop the architectural and structural design of a robotically constructable unpressurized shelter. The shelter, called Lina is designed to protect astronauts and surface assets from radiation, meteoroid impact, moon quakes and thermal gradients. A Fused Filament Fabrication (FFF) construction process using regolith polymer composites was developed. The construction system and associated print parameters are discussed along with the environmental simulation equipment and a summary of test conditions. Test samples were printed in simulated lunar dirty thermal vacuum conditions (~-180 C, ~10-3 torr) and subjected to a series of tests. The resulting strength properties are summarized here, the full details of the material characteristics are provided in a related paper. Lina’s structural design criteria and the resulting initial structure design are detailed in two related papers, this paper presents an update to Lina’s design based on the achieved material strength properties. Finally, a scaled down version of the updated Lina was built on a regolith simulant surface using a novel anchoring technique in simulated lunar vacuum conditions.

lunar infrastructure↗

Tailoring the Properties of Chemically Recyclable Polyethylene‐Like Multiblock Polymers by Modulating the Branch Structure

Abstract Developing plastics that fill the need of polyolefins yet are more easily recyclable is a critical need to address the plastic waste crisis. However, most efforts in this vein have focused on high‐density polyethylene (PE), while many different types of PE exist. To create broadly sustainable PE with modular properties, we present the synthesis, characterization, and demonstration of materials applications for chemically recyclable PE‐like multiblock polymers prepared from distinct hard and soft blocks using ruthenium‐catalyzed dehydrogenative polymerization. By altering the branching pattern within the soft blocks, a series of PE‐like multiblock polymers were synthesized with tunable glass transition temperatures ( T g ) while maintaining consistent high melting temperatures ( T m ). A clear U‐shape trend between T g and mechanical properties was found, showcasing their potential as sustainable materials with tailored properties spanning commercial linear low‐density polyethylene (LLDPE) and low‐density polyethylene (LDPE). These materials offer adjustable adhesive strength to metal and demonstrate chemical recyclability and selective depolymerization in mixed plastic streams, promoting circularity and separation.

Zhao, Yucheng↗

Self-assembly of wood-based shape memory composites triggered by solar-thermal energy

Transporting and assembling large, complex structures poses significant challenges due to their size, geometry, and cost. Additionally, the installation sites are often inaccessible or hazardous for humans, necessitating self-assembling capabilities in these structures. To mitigate these challenges, we propose using 3D printing materials with shape memory effect (SME) for both transport and construction. This approach involves developing 3D modular components into flat sheets for easier transportation, and then self-assembling into 3D structures on-site using solar energy. To gain a deeper understanding of the factors influencing material memory performance, we have chosen a composite PLA/WF, which is polylactic acid (PLA) with 20 wt% wood flour (WF) for this purpose, leveraging its high tensile modulus at 0.966 GPa, low cost, and sustainability. Printed shapes with this material can maintain a recovery ratio over 90% after 3 cycles. While traditional composites fillers (e.g. glass or carbon fiber) are added to enhance mechanical and thermal properties, the addition of bio-based fillers like WF accomplish similar goals without compromising sustainability. We conducted multiple experiments to demonstrate how environmental conditions (i.e. temperature) maximize the material’s SME. Although still at an early stage, this study provides initial insights into bridging the gap between the small-scale nature of shape memory polymers (SMPs) and their potential for large-scale additive manufacturing, addressing a critical need for efficient and sustainable construction. In the long term, we hope our study contributes to the design vision of utilizing SMPs for transportation, assembly, and deployment of complex structures, providing a new pathway for sustainable construction and transportation of large-scale structures to hard-to-access locations such as disaster-affected areas and remote deserts, etc.

4D printing↗

Structural Tuning of Self‐Conductive Polymer as Gas Diffusion Layer for Electrocatalytic Reactions at High Current

Electrocatalytic conversions offer a promising route for sustainable chemical production using renewable energy. Gas diffusion layers (GDLs) enable selective product formation at high current densities but suffer from electrolyte flooding, and polytetrafluoroethylene (PTFE)-based GDLs typically require metal conductive layers, which constrain catalyst development. A recently developed GDL configuration, electropolymerized poly(3,4-ethylenedioxythiophene) (PEDOT)-coated PTFE, demonstrates notable flooding resistance, but suffers from gas diffusion limitations at elevated currents due to limited gas diffusion through the PEDOT layer. Here, different dopants in PEDOT are exploited to modify the physical properties and enhance gas transport. ClO 4 − -doped PEDOT exhibits superior performance due to optimized physical structure, leading to increased gas permeance and faradaic efficiency (FE) for CO production during electrocatalytic CO 2 reduction. Further optimization of coverage and thickness achieved by adjusting charge density led to an optimal configuration at 33 mC cm −2 . This GDL supports various metal electrocatalysts and demonstrates FE CO of > 90% for over 150 h at −200 mA cm −2 using a commercial silver electrocatalyst. This work highlights the importance of GDL engineering in enhancing performance and durability for long-term electrocatalytic processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Application of Regolith Polymer Composite Fused Granular Fabrication Construction in Simulated Lunar Conditions

NASA’s Artemis program has the goal of creating a sustained lunar presence to provide unprecedented opportunities for scientific discovery and to ensure industry’s access to the unlimited resources and commercial potential in space. To achieve this goal, NASA must incrementally develop and expand its capabilities beyond the short lunar stays of the Apollo program to a robust continued presence with infrastructure and equipment to reduce mission risk. Kennedy Space Center’s Granular Mechanics and Regolith Operations laboratory (a.k.a. Swamp Works) has partnered with SpaceFactory and LERA Consulting Structural Engineers to develop the architectural and structural design of a robotically constructable unpressurized shelter. The shelter, called Lunar Infrastructure Asset (LINA), is designed to protect astronauts and surface assets from radiation, meteoroid impact, thermal gradients, and to withstand moonquakes. A Fused Granular Fabrication (FGF) construction process using regolith polymer composites was developed. The construction system and associated print parameters are discussed along with the environmental simulation equipment and a summary of test conditions. Test samples were printed in dirty thermal vacuum conditions (~10-3 torr, ~-200 °C,) and subscale versions of LINA were printed on a regolith simulant substrate in vacuum (~10-4 torr). Full scale LINA design optimization, simulation, and construction concept of operations are discussed.

lunar infrastructure↗

Reversibly growing crosslinked polymers with programmable sizes and properties

Growth constitutes a powerful method to post-modulate materials’ structures and functions without compromising their mechanical performance for sustainable use, but the process is irreversible. To address this issue, we here report a growing-degrowing strategy that enables thermosetting materials to either absorb or release components for continuously changing their sizes, shapes, compositions, and a set of properties simultaneously. The strategy is based on the monomer-polymer equilibrium of networks in which supplying or removing small polymerizable components would drive the networks toward expansion or contraction. Using acid-catalyzed equilibration of siloxane as an example, we demonstrate that the size and mechanical properties of the resulting silicone materials can be significantly or finely tuned in both directions of growth and decomposition. The equilibration can be turned off to yield stable products or reactivated again. During the degrowing-growing circle, material structures are selectively varied either uniformly or heterogeneously, by the availability of fillers. Our strategy endows the materials with many appealing capabilities including environment adaptivity, self-healing, and switchability of surface morphologies, shapes, and optical properties. Since monomer-polymer equilibration exists in many polymers, we envision the expansion of the presented strategy to various systems for many applications.

36 MATERIALS SCIENCE↗

Adaptive Data-Driven Deep-Learning Surrogate Model for Frontal Polymerization in Dicyclopentadiene

Frontal polymerization (FP) is a self-sustaining curing process that enables rapid and energy-efficient manufacturing of thermoset polymers and composites. Computational methods conventionally used to simulate the FP process are time-consuming, and repeating simulations are required for sensitivity analysis, uncertainty quantification, or optimization of the manufacturing process. Here, in this work, we develop an adaptive surrogate deep-learning model for FP of dicyclopentadiene (DCPD), which predicts the evolution of temperature and degree of cure orders of magnitude faster than the finite-element method (FEM). The adaptive algorithm provides a strategy to select training samples efficiently and save computational costs by reducing the redundancy of FEM-based training samples. The adaptive algorithm calculates the residual error of the FP governing equations using automatic differentiation of the deep neural network. A probability density function expressed in terms of the residual error is used to select training samples from the Sobol sequence space. The temperature and degree of cure evolution of each training sample are obtained by a 2D FEM simulation. The adaptive method is more efficient and has a better prediction accuracy than the random sampling method. With the well-trained surrogate neural network, the FP characteristics (front speed, shape, and temperature) can be extracted quickly from the predicted temperature and degree-of-cure fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Molecular dynamics simulations for glass transition temperature predictions of polyhydroxyalkanoate biopolymers

Polyhydroxyalkanoates (PHAs) represent an emerging class of biosynthetic and biodegradable polyesters that exhibit considerable potential to replace petroleum-based plastics towards a sustainable future. Despite the promise, general structure–property mappings within this class of polymers remain largely unexplored. An efficient exploration of this vast chemical space calls for the development and validation of predictive methods for accurate estimation of a diverse range of properties for PHA-based polymers. Towards this aim, we present and validate in this work the results of our molecular dynamics (MD) simulation based approach aimed at predicting glass transition temperatures (T g ) of PHA-based polymers. Since generally available and widely used polymer forcefields exhibit a relatively poor performance for T g predictions, we have developed a new forcefield by modifying the polymer consistent force field (PCFF) via refining a selected set of torsion potentials of the polymer backbone using accurate density functional theory (DFT) computations. After carefully assessing the dependence of critical simulation parameters, such as, polymer chain length, number of polymer chains, supercell size, and thermal quenching rate used in the simulation, the applicability and transferability of the modified PCFF (mPCFF) is demonstrated by directly comparing the computed T g predictions of various polymers with different chemistries, polymer side chain lengths and functional groups forming the polymer side chains against the respective experimentally measured values. Furthermore, the transport properties such as self-diffusion coefficient and viscosity are computationally determined and their well-known correlation with the target properties is demonstrated. Lastly, we have employed the developed approach to predict T g values for a number of yet-to-be-synthesized PHA-based polymers with a diverse set of functional groups in the polymer side chains. The results are further rationalized by correlating the predicted T g values with the inter-chain H-bond formation tendencies of the different side chain functional groups. This work represents an important first step towards computationally guided design of PHA-based functional polymers and opens up new directions for a systematic investigation of composition- and configuration-dependent structure–property relationships in more complex binary and ternary copolymer systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

RB-TnSeq elucidates dicarboxylic-acid-specific catabolism in β-proteobacteria for improved plastic monomer upcycling

Dicarboxylic acids are key components of many polymers and plastics, making them a target for both engineered microbial degradation and sustainable bioproduction. In this study, we generated a comprehensive data set of functional evidence for the genetic basis of dicarboxylic and fatty acid metabolism using randomly barcoded transposon sequencing (RB-TnSeq). We identified four β-proteobacteria that displayed robust growth with dicarboxylic acid sole carbon source and cultured their mutant libraries with dicarboxylic and fatty acids with carbon chain lengths from C3 to C12. The resulting fitness data suggested that dicarboxylic and fatty acid metabolisms are largely distinct, and different sets of β-oxidation genes are required for catabolizing dicarboxylic versus fatty acids of the same carbon chain lengths. In addition, we identified transcriptional regulators and transporters with strong fitness phenotypes related to dicarboxylic acid utilization. In Ralstonia sp. UNC404CL21Col (R. CL21), we deleted two transcriptional repressors to improve its utilization of short-chain dicarboxylic acids. We exploited the diacid-utilizing catabolism of R. CL21 to upcycle a mock mixture of the dicarboxylic acids produced when polyethylene is oxidized. After introducing a heterologous indigoidine production pathway, this engineered Ralstonia produced 0.56 ± 0.02 g/L indigoidine from a mixture of dicarboxylic acids as a carbon source, demonstrating the potential of R. CL21 to upcycle plastic wastes to products derived from tricarboxylic acid (TCA) cycle intermediates. IMPORTANCE: Upcycling the carbon in plastic wastes to value-added products is a promising approach to address the plastic waste and climate crises, and dicarboxylic acid metabolism is an important facet of several approaches. Improving our understanding of the genetic basis of this metabolism has the potential to uncover new enzymes and genetic parts for engineered pathways involving dicarboxylic acids. Our data set is the most comprehensive interrogation of dicarboxylic acid catabolism to date, and this work will be of utility to researchers interested in both plastics bioproduction and upcycling applications.

Pearson, Allison N↗

Hydrogen Fuel System Design Trades for High-Altitude Long-Endurance Remotely- Operated Aircraft

Preliminary design trades are presented for liquid hydrogen fuel systems for remotely-operated, high-altitude aircraft that accommodate three different propulsion options: internal combustion engines, and electric motors powered by either polymer electrolyte membrane fuel cells or solid oxide fuel cells. Mission goal is sustained cruise at 60,000 ft altitude, with duration-aloft a key parameter. The subject aircraft specifies an engine power of 143 to 148 hp, gross liftoff weight of 9270 to 9450 lb, payload of 440 lb, and a hydrogen fuel capacity of 2650 to 2755 lb stored in two spherical tanks (8.5 ft inside diameter), each with a dry mass goal of 316 lb. Hydrogen schematics for all three propulsion options are provided. Each employs vacuum-jacketed tanks with multilayer insulation, augmented with a helium pressurant system, and using electric motor driven hydrogen pumps. The most significant schematic differences involve the heat exchangers and hydrogen reclamation equipment. Heat balances indicate that mission durations of 10 to 16 days appear achievable. The dry mass for the hydrogen system is estimated to be 1900 lb, including 645 lb for each tank. This tank mass is roughly twice that of the advanced tanks assumed in the initial conceptual vehicle. Control strategies are not addressed, nor are procedures for filling and draining the tanks.

Millis, Marc G.↗

Precious metal recovery from electronic waste by a porous porphyrin polymer

Significance Electronic waste, also called e-waste, is rapidly becoming a major industrial hazard because of the increased use of circuits and screens. With the right technology, however, this waste could become a sustainable source for precious metals. Such a solution requires selectivity toward the precious metals, as this characteristic is even more important than capacity. A porphyrin-based porous polymer with selective binding shows remarkable selectivity and a reductive mechanism, a combination which makes for record-high recycling of precious metals––particularly gold––from e-waste.

Hong, Yeongran↗

A Comparative Techno-Economic Analysis of Sustainable Methanol Synthesis Pathways from Biomass and CO2

The call to reduce global CO2 emissions is at the forefront of research and development in the transportation and petrochemical industries. A potential solution which intersects both sectors is the adoption and commercialization of more sustainable technologies for methanol production. Currently, methanol is gaining popularity as a possible fuel additive, and as a polymer precursor via established methanol-to-olefins routes which are increasing in capacity and utilization, putting methanol in the spotlight and global methanol production on the rise. At the same time, experimental and computational studies have surged, illuminating a wide array of novel process designs to introduce sustainable methanol into the market. However, with numerous competing pathways identified across a variety of fossil and non-fossil feedstocks, there is a need to harmonize the analyses of these pathways using a consistent techno-economic approach and compare them to current commercial pathways to better understand the benefits or limitations inherent to each technology. In this work we conduct a consistent comparative analysis of three sustainable methanol synthesis pathways versus a commercial baseline, with biomass, CO2, and natural gas as the carbon sources. The three sustainable pathways of interest are biomass gasification to syngas with subsequent catalytic conversion of syngas to methanol, indirect conversion of CO2 to syngas via electrolysis with subsequent catalytic conversion of syngas to methanol, and direct conversion of CO2 to methanol via electrolysis. To elucidate the challenges and opportunities in the path to commercialization of each sustainable pathway, we investigate five key process metrics: production cost, carbon efficiency, carbon intensity, energy efficiency, and technology readiness level (TRL).

biomass↗

Polyolefin Innovations Toward Circularity and Sustainable Alternatives

The unprecedented growth and socioeconomic impacts of polyolefins clearly outline a major success story in the world of polymer science. Polyolefins revolutionizes industries such as health care, construction, and food packaging. Despite the benefits of polyolefins, there is a rising concern for the environment due to high production volume (i.e., fossil fuel consumption), often short usage time, and problems related to waste management and accumulation in the natural environment. Creating a circular economy for polyolefins through effective recycling technologies has the potential to decrease the environmental impact of these materials. This perspective discusses polyolefins and their impact, existing and emerging recycling/upcycling solutions, and recycle-by-design alternatives that are challenging the status quo.

circular economy↗

Solubilization of PET in binary mixtures of HFIP and DCM

The dissolution of polyethylene terephthalate (PET) is a critical step for a solvent-based process, yet it typically requires highly corrosive or toxic solvents. Here, we investigate the solubilization and conformational behavior of PET in binary mixtures of hexafluoro-2-propanol (HFIP) and dichloromethane (DCM) as a strategy to reduce HFIP usage while maintaining effective dissolution. Small-angle neutron scattering (SANS) measurements reveal that PET remains molecularly dissolved in HFIP/DCM mixtures up to 50 vol% DCM. Analysis of PET chain conformations shows a transition from Gaussian behavior at low HFIP fractions to more swollen chains at intermediate compositions, accompanied by a counter-intuitive minimum in the radius of gyration at 50% HFIP. Complementary SANS measurements of the binary solvents demonstrate that compositional heterogeneity is maximized at this same solvent composition, suggesting a direct coupling between solvent microstructure and polymer dimensions. Molecular dynamics simulations corroborate the experimental findings, revealing solvent domain formation, preferential solvation of PET by HFIP, and a “caging” effect arising from solvent heterogeneity that leads to polymer coil compaction. Together, these results provide molecular-level insight into polymer behavior in mixed solvent systems and establish HFIP/DCM mixtures as a promising, more sustainable solvent platform for the PET post-process.

Arifuzzaman, Arif [ORNL]↗