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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

4D Printing via an Unconventional Fused Deposition Modeling Route to High-Performance Thermosets

An unprecedented four-dimensional (4D) printing process allowing high-performance and shape memory thermoset to be printed, for the first time, by fused deposition modeling (FDM) with isotropic properties has been achieved. Here, bisphenol A-based epoxy and benzoxazine were formulated to a low-temperature thermoplastic and high-temperature thermoset resin, which is melt-extrudable and can be postcured into covalently cross-linked material. Carbon nanotube (CNT) was added in the resin to work as both mechanical enhancement filler and rheology modifier to prevent shape deformation during postcuring process. The cross-layer reaction fuses individual layers into an integrity, thus eliminating layer delamination induced by FDM, offering isotropic mechanical properties regardless of the printing orientations. The highly cross-linked network provides outstanding mechanical strength and superb thermal stability. The excellent shape memory performance with fast recovery rate and large recovery degree is also obtained in the three-dimensional (3D) printed composites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Interface learning in fluid dynamics: Statistical inference of closures within micro–macro-coupling models

Many complex multiphysics systems in fluid dynamics involve using solvers with varied levels of approximations in different regions of the computational domain to resolve multiple spatiotemporal scales present in the flow. The accuracy of the solution is governed by how the information is exchanged between these solvers at the interface and several methods have been devised for such coupling problems. In this article, we construct a data-driven model by spatially coupling a microscale lattice Boltzmann method (LBM) solver and macroscale finite difference method (FDM) solver for reaction-diffusion systems. The coupling between the micro-macro solvers has one to many mapping at the interface leading to the interface closure problem, and we propose a statistical inference method based on neural networks to learn this closure relation. The performance of the proposed framework in a bifidelity setting partitioned between the FDM and LBM domain shows its promise for complex systems where analytical relations between micro-macro solvers are not available.

42 ENGINEERING↗
DOE OSTI2024

A numerical Poisson solver with improved radial solutions for a self-consistent locally scaled self-interaction correction method

Abstract The universal applicability of density functional approximations is limited by self-interaction error made by these functionals. Recently, a novel one-electron self-interaction-correction (SIC) method that uses an iso-orbital indicator to apply the SIC at each point in space by scaling the exchange-correlation and Coulomb energy densities was proposed. The locally scaled SIC (LSIC) method is exact for the one-electron densities, and unlike the well-known Perdew–Zunger SIC (PZSIC) method recovers the uniform electron gas limit of the uncorrected density functional approximation, and reduces to PZSIC method as a special case when isoorbital indicator is set to the unity. Here, we present a numerical scheme that we have adopted to evaluate the Coulomb potential of the electron density scaled by the iso-orbital indicator required for the self-consistent LSIC calculations. After analyzing the behavior of the finite difference method (FDM) and the green function solution to the radial part of the Poisson equation, we adopt a hybrid approach that uses the FDM for the Coulomb potential due to the monopole and the GF for all higher-order terms. The performance of the resultant hybrid method is assessed using a variety of systems. The results show improved accuracy than earlier numerical schemes. We also find that, even with a generic set of radial grid parameters, accurate energy differences can be obtained using a numerical Coulomb solver in standard density functional studies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Nested solitons in two-field fuzzy dark matter

ABSTRACT Dark matter as scalar particles consisting of multiple species is well motivated in string theory where axion fields are ubiquitous. A two-field fuzzy dark matter (FDM) model features two species of ultralight axion particles with different masses, m1 ≠ m2, which is extended from the standard one-field model with $m_a \sim 10^{-22} \, {\rm eV}$. Here we perform numerical simulations to explore the properties of two-field FDM haloes. We find that the central soliton has a nested structure when m2 ≫ m1, which is distinguishable from the generic flat-core soliton in one-field haloes. However, the formation of this nested soliton is subject to many factors, including the density fraction and mass ratio of the two fields. Finally, we study non-linear structure formation in two-field cosmological simulations with self-consistent initial conditions and find that the small-scale structure in two-field cosmology is also distinct from the one-field model in terms of DM halo counts and soliton formation time.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Cosmological structure formation and soliton phase transition in fuzzy dark matter with axion self-interactions

Herein we investigate cosmological structure formation in fuzzy dark matter (FDM) with the attractive self-interaction (SI) with numerical simulations. Such a SI would arise if the FDM boson were an ultra-light axion, which has a strong CP symmetry-breaking scale (decay constant). Although weak, the attractive SI may be strong enough to counteract the quantum ‘pressure’ and alter structure formation. We find in our simulations that the SI can enhance small-scale structure formation, and soliton cores above a critical mass undergo a phase transition, transforming from dilute to dense solitons.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Application of Frequency Division Multiplexing and Neural Networks in the Operation and Diagnosis of the Stator Current and Shaft Position Sensors Used in Electric/Hybrid Vehicles

Fast, precise and robust sensing of currents and motor shaft angle is essential for the excellent performance of electric and hybrid vehicles (EV/HEV). Multiplexing techniques are commonly applied in data acquisition systems (DAQs) to digitize the signals sensed in EV/HEV drives. Frequency-division multiplexing (FDM) applied to get the signals from current sensors and resolver angular position sensor has advantages over conventional multiplexing approaches. However, problems such as aging and mechanical imperfections distort the outputs of those sensors, producing measurement errors of the angular position and currents. Conventional techniques designed to compensate for those errors cannot be applied in signals multiplexed in frequency. This paper proposes online techniques to detect and compensate for the distortions in the resolver sensor and current sensors. The demultiplexing process was adjusted to allow distortion detection and compensation. An auto-associative neural network (ANN) compensates for the current measurement error, while an energy-based technique is applied to compensate for the distortions in the resolver outputs. The obtained results show that the distortions were compensated, allowing a more accurate estimation of stator currents and angular position when FDM is applied in EV/HEV DAQs.

Pereira Pinto, Joao↗
DOE OSTI2023

Determining the twist angle of stacked MoS 2 layers using machine learning-assisted low-frequency interlayer Raman fingerprints

The investigation of twisted stacked few-layer MoS 2 has revealed novel electronic, optical, and vibrational properties over an extended period. For the successful integration of twisted stacked few-layer MoS 2 into a wide range of applications, it is crucial to employ a noninvasive, versatile technique for characterizing the layered architecture of these complex structures. Here, in this work, we introduce a machine learning-assisted low-frequency Raman spectroscopy method to characterize the twist angle of few-layer stacked MoS 2 samples. A feedforward neural network (FNN) is utilized to analyze the low-frequency breathing mode as a function of the twist angle. Moreover, using finite difference method (FDM) and density functional theory (DFT) calculations, we show that the low-frequency Raman spectra of MoS 2 are mainly influenced by the effect of the nearest and second nearest layers. A new improved linear chain model (TA-LCM) with taking the twist angle into the consideration is developed to understand the interlayer breathing modes of stacked few-layer MoS 2 . This approach can be extended to other 2D materials systems and provides an intelligent way to investigate naturally stacked and twisted interlayer interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

3D printed lignin/polymer composite with enhanced mechanical and anti-thermal-aging performance

Lignin is the most abundant natural aromatic polymer globally but is still underutilized as a renewable material, even with its versatile properties. One approach to using lignin is to incorporate it in polymer composites, but this application is often limited by the poor mechanical performance of the resultant composite due to the poor interfacial adhesion. Following the structure–property relationship, stronger interactions were designed to be enhanced by alternating the functional groups of lignin. Here, this study applied a demethylation method to hardwood lignin (Ori-Lig) to introduce more phenolic hydroxyl groups. Research studies with rheology behavior and molecular simulations demonstrated that an increased phenolic hydroxyl content could improve the adhesion between the modified lignin (OH-Lig) and the polymer matrix at the interface. The tensile performance of the samples from the fused depositional modeling (FDM) 3D printing technique was also improved due to the improved interfacial adhesion. Specifically, by adding 10 wt% of the modified lignin, the tensile strength of the 3D printed samples could reach 46.1 MPa (40.2 MPa of Polyamide 12, PA12), and Young’s Modulus could be improved to 1.73 GPa (1.48 GPa of PA12). OH-Lig also improved anti-aging performance so that the tensile strength of the OH-Lig composite after thermo-aging (100 h at 140 °C) remained ~48MPa. The enhanced mechanical performance with anti-aging properties indicated that the OH-Lig composite may replace PA12 to reduce the use of petrol-based materials. This work showed the method of purposefully designing and modifying lignin structures to fulfill the interaction requirements between lignin and polymer matrix. The as-prepared lignin could be used to prepare functional composites to achieve improved mechanical performance and targeted functions at the same time.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

In-situ X-ray scattering study of isotactic polypropylene/graphene nanocomposites under shear during fused deposition modeling 3D printing

Complementary techniques were applied to characterize the structure property relationships of FDM printed isotactic polypropylene/graphene nanocomposites. Raman spectroscopy indicated that graphene was mostly exfoliated during the nozzle extrusion process. Rheological measurements of the viscosity indicated that the presence of graphene induced shear thinning during extrusion. Azimuthal scans of wide angle x-ray scattering indicate correlated thermal fluctuations of the graphene platelets which stops abruptly at the onset of transcrystallization, or templating of the iPP chains on the graphene. X-ray microbeam SAXS analysis show the formation of ‘shish-kebab’ structures at the core of the unfilled filaments, where the ‘kebab’ component vanishes at the fiber-fiber interface enabling interdiffusion. Weak lamellar structure, and a corresponding decrease in the storage modulus are observed with the addition of 5% graphene. The lamellar structure disappears entirely with the addition of 10% graphene, while the storage modulus is decreased by nearly 50%. Thermal imaging of heat flux dissipation across molded and printed samples shows no orientational effects in pure iPP despite differences in crystal structure. Thermal conductivity increases dramatically in the samples with 10% graphene, and strong orientational effects are observed where the thermal coefficients differ by 180% between samples printed parallel or perpendicular to the heat flux.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Functional characterization of prokaryotic dark matter: the road so far and what lies ahead

Eight-hundred thousand to one trillion prokaryotic species may inhabit our planet. Yet, fewer than two-hundred thousand prokaryotic species have been described. This uncharted fraction of microbial diversity, and its undisclosed coding potential, is known as the “microbial dark matter” (MDM). Next-generation sequencing has allowed to collect a massive amount of genome sequence data, leading to unprecedented advances in the field of genomics. Still, harnessing new functional information from the genomes of uncultured prokaryotes is often limited by standard classification methods. These methods often rely on sequence similarity searches against reference genomes from cultured species. This hinders the discovery of unique genetic elements that are missing from the cultivated realm. It also contributes to the accumulation of prokaryotic gene products of unknown function among public sequence data repositories, highlighting the need for new approaches for sequencing data analysis and classification. Increasing evidence indicates that these proteins of unknown function might be a treasure trove of biotechnological potential. Here, we outline the challenges, opportunities, and the potential hidden within the functional dark matter (FDM) of prokaryotes. We also discuss the pitfalls surrounding molecular and computational approaches currently used to probe these uncharted waters, and discuss future opportunities for research and applications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

3D printing of a recycled copolyester of terephthalic acid, cyclohexanedimethanol and tetramethylcyclobutanediol

2,2,4,4-Tetramethyl-1,3-cyclobutanediol (TMCD) is a diol monomer for terephthalic acid (TPA) class of copolyesters that can increase the glass transition temperature and mechanical strength in comparison to conventional TPA polyesters. TMCD-modified poly (1,4-cyclohexylenedimethylene terephthalate) (PCTT) has been used to manufacture consumer products with good toughness, heat resistance and clarity. However, the suitability of PCTT in 3D printing had not been evaluated. Therefore, consumer plasticware was used as the starting material to investigate the suitability of this copolyester for fused deposition modeling (FDM). Here, chemical structure, mechanical properties, thermal behavior and viscoelastic properties of this copolyester were studied. NMR spectroscopy found that the copolyester had cyclohexanedimethanol (CHDM) and TMCD contents at 76.5 mol% and 20 mol% of total diol, respectively. 280 °C printing temperature and 110 °C bed temperature were suitable conditions for printing. T g of PCTT was 103 °C (25 °C higher than PETG). Young's modulus and impact strength of printed PCTT were at least 100% and 65% higher than printed PETG, respectively. The ease of printing, superior mechanical properties and T g (103 °C) make the PCTT random copolyester highly applicable in additive manufacturing.

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 OSTI2026

Valorization of consolidated bioprocessing residues for bioplastics

This study demonstrates an organic solvent-free processing strategy to valorize consolidated bioprocessing (CBP) residues, from switchgrass and poplar biomass, into functional poly(butylene succinate) (PBS)-based biocomposites using high-shear homogenization (HSH). HSH transformed the switchgrass and poplar CBP residues (CBP-R) into fine, uniformly distributed particles and microfibers. The composites of PBS with homogenized switchgrass residues (H-CBP-R-SG) or homogenized poplar residues (H-CBP-R-P) at a 70/30 weight ratio exhibited improved processability and mechanical integrity, with the Young's modulus for the PBS/H-CBP-R-SG and PBS/H-CBP-R-P nearly doubling to 0.66 ± 0.07 GPa and 0.65 ± 0.04 GPa, respectively, compared to neat PBS (0.36 ± 0.02 GPa). Dynamic Mechanical Analysis (DMA) reveals a significant suppression of the tan δ peak magnitude, indicating that HSH-mediated physical activation facilitates stress transfer in composites typical of covalent chemical grafting systems. While the transition to a stiffness-dominated profile reduces ductility, the resulting composites exhibit the dimensional stability and resistance to thermal warping required for high-fidelity FDM 3D printing and injection molding. Beyond material performance, comprehensive techno-economic analysis (TEA) and life cycle assessment (LCA) confirmed that diverting CBP residues into composite products can improve the economic viability of the biorefinery without substantially increasing biorefinery global warming potential (GWP). At a 30 wt% blend ratio, incorporating residuals into PBS yielded a minimum selling price for the composite of $\$4.07$ per kg compared to the conventional bioplastic price of $\$5.00$ per kg. This approach aligns with circular bioeconomy principles by converting waste streams into value-added products. Furthermore, this innovative strategy addresses key challenges in bioplastic development, including cost, compatibility, and performance, while simultaneously advancing waste minimization strategies for sustainable manufacturing systems.

09 BIOMASS FUELS↗
DOE OSTI2023

A hybrid 3D/2D field response calculation for liquid argon detectors with PCB based anode plane

Liquid Argon Time Projection Chamber (LArTPC) technology is commonly utilized in neutrino detector designs. It enables detailed reconstruction of neutrino events with high spatial precision and low energy threshold. Its field response (FR) model describes the time-dependent electric currents induced in the anode-plane electrodes when ionization electrons drift nearby. An accurate and precise FR is a crucial input to LArTPC detector simulations and charge reconstruction. Established LArTPC designs have been based on parallel wire planes. It allows accurate and computationally economic two-dimensional (2D) FR models utilizing the translational symmetry along the direction of the wires. Recently, novel LArTPC designs utilize electrodes formed on printed circuit board (PCB) in the shape of strips with through holes. The translational symmetry is no longer a good approximation near the electrodes and a new FR calculation that employs regions with three dimensions (3D) has been developed. Extending the 2D models to 3D would be computationally expensive. Fortuitously, the nature of strips with through holes allows for a computationally economic approach based on the finite-difference method (FDM). In this paper, we present a new software package pochoir that calculates LArTPC field response for these new strip-based anode designs. This package combines 3D calculations in the volume near the electrodes with 2D far-field solutions to achieve fast and precise field response computation. We apply the resulting FR to simulate and reconstruct samples of cosmic-ray muons and 39 Ar decays from a Vertical Drift (VD) detector prototype operated at CERN. We find the difference between real and simulated data within 5%. Current state-of-the-art LArTPC software requires a 2D FR which we provide by averaging over one dimension and estimate that variations lost in this average are smaller than 7%.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Late growth of early-type galaxies in low-z massive clusters

ABSTRACT We study a sample of 936 early-type galaxies (ETGs) located in 48 low-z regular galaxy clusters with M200 ≥ 1014 M⊙ at z < 0.1. We examine variations in the concentration index, radius, and colour gradient of ETGs as a function of their stellar mass and loci in the projected phase space (PPS) of the clusters. We aim to understand the environmental influence on the growth of ETGs according to the time since infall into their host clusters. Our analysis indicates a significant change in the behaviour of the concentration index C and colour gradient around $M_{\ast } \approx 2\times 10^{11} ~M_\odot \equiv \tilde{M}_{\ast }$. Objects less massive than $\tilde{M}_{\ast }$ present a slight growth of C with M*, with negative and approximately constant colour gradients in all regions of the PPS. Objects more massive than $\tilde{M}_{\ast }$ present a slight decrease of C with M*, with colour gradients becoming less negative and approaching zero. We also find that objects more massive than $\tilde{M}_{\ast }$, in all PPS regions, have smaller R90 for a given R50, suggesting a smaller external growth in these objects or even a shrinkage possibly due to tidal stripping. Finally, we estimate different dark matter fractions for galaxies in different regions of the PPS, with the ancient satellites having the largest fractions, fDM ≈ 65 per cent. These results favour a scenario where cluster ETGs experience environmental influence the longer they remain and the deeper into the gravitational potential they lie, indicating a combination of tidal stripping + harassment, which predominate during infall, followed by mergers + feedback effects affecting the late growth of ancient satellites and BCGs.

Astronomy & Astrophysics↗
DOE OSTI2023

The bar rotation rate as a diagnostic of dark matter content in the centre of disc galaxies

We investigate the link between the bar rotation rate and dark matter content in barred galaxies by concentrating on the cases of the lenticular galaxies NGC 4264 and NGC 4277. These two gas-poor galaxies have similar morphologies, sizes, and luminosities. But, NGC 4264 hosts a fast bar, which extends to nearly the corotation, while the bar embedded in NGC 4277 is slow and falls short of corotation. We derive the fraction of dark matter ƒ DM, bar within the bar region from Jeans axisymmetric dynamical models by matching the stellar kinematics obtained with the MUSE integral-field spectrograph and using SDSS images to recover the stellar mass distribution. We build mass-follows-light models as well as mass models with a spherical halo of dark matter, which is not tied to the stars. We find that the inner regions of NGC 4277 host a larger fraction of dark matter (⁠ƒ DM,bar = 0.53±0.02⁠) with respect to NGC 4264 (⁠(⁠ƒ DM,bar = 0.33±0.04⁠) in agreement with the predictions of theoretical works and the findings of numerical simulations, which have found that fast bars live in baryon-dominated discs, whereas slow bars experienced a strong drag from the dynamical friction due to a dense DM halo. This is the first time that the bar rotation rate is coupled to fDM, bar derived from dynamical modelling.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Additive Manufactured Compact Microwave Absorbers

A high-performance, compact microwave absorber was created using Fused Deposition Modeling (FDM) 3D printing. Both a narrowband and a broadband absorber were created. The narrowband absorber was designed at 4.9 GHz, mid-band in WR-187 waveguide. The broadband absorber tried to achieve the best attenuation across the entire 3.95 to 5.85 GHz band. Two types of carbon loaded polylactic acid (PLA) plastic and one type of unloaded PLA were 3D printed with variable percentages of air to achieve different values of effective dielectric constant and loss tangent. The absorber comprised five or six rectangular pieces of these plastic materials. The thickness and fill factor values for each piece were optimized to minimize reflection through fast analytic modeling in MATLAB®. The results were then verified by HFSS® simulation as well. The stack progressed from the lowest loss and lowest dielectric constant to the highest at the shorting end. The final narrowband load had simulated return loss of 87 dB at 4.9 GHz with an analytic solution in MATLAB. The measured return loss of the 3D printed attenuator was 73 dB at 4.929 GHz. The total length of the absorber was 2.44 inches. A commercial absorber for WR-187 with return loss of 40 dB has length of 13 inches. The experiment proves that an effective and compact microwave absorber can be created using 3D printing.

36 MATERIALS SCIENCE↗