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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Hierarchical Speed Planner for Automated Vehicles: A Framework for Lagrangian Variable Speed Limit in Mixed-Autonomy Traffic

Here, this article presents a novel hierarchical speed planning framework for variable speed limits in mixed-autonomy traffic environments, leveraging server-side macroscopic control and vehicle-side microscopic execution. The framework integrates real-time traffic state estimation (TSE) and reinforcement learning (RL)-based control to mitigate congestion and improve traffic flow. A TSE enhancement module combines macroscopic data from sources like INRIX with high-resolution observations from connected autonomous vehicles (CAVs), enabling predictive modeling to address latency and noise. The target speed design module employs kernel smoothing and a buffer zone strategy to optimize traffic density and flow around bottlenecks. The proposed system was validated in the largest open-road test to date with 100 CAVs, demonstrating an overall 8% traffic density decrease, with a specific decrease of 7% upstream, 10% downstream, and a 52% decrease during the congestion formation phase at bottlenecks.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

A Two-Stage Decomposition Approach for AC Optimal Power Flow

The alternating current optimal power flow (AC-OPF) problem is critical to power system operations and planning, but it is generally hard to solve due to its nonconvex and large-scale nature. Furthermore, this paper proposes a scalable decomposition approach in which the power network is decomposed into a master network and a number of subnetworks, where each network has its own AC-OPF subproblem. This formulates a two-stage optimization problem and requires only a small amount of communication between the master and subnetworks. The key contribution is a smoothing technique that renders the response of a subnetwork differentiable with respect to the input from the master problem, utilizing properties of the barrier problem formulation that naturally arises when subproblems are solved by a primal-dual interior-point algorithm. Consequently, existing efficient nonlinear programming solvers can be used for both the master problem and the subproblems. The advantage of this framework is that speedup can be obtained by processing the subnetworks in parallel, and it has convergence guarantees under reasonable assumptions. The formulation is readily extended to instances with stochastic subnetwork loads. Numerical results show favorable performance and illustrate the scalability of the algorithm which is able to solve instances with more than 11 million buses.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Co-Extrusion of Dissimilar Aluminum Alloys via Shear-Assisted Processing and Extrusion

Bimetallic tubes are used when a component requires more than one performance requirement, for instance, strength/creep resistance and oxidation/corrosion resistance. Shear-assisted processing and extrusion (ShAPE) can be used to fabricate extrudates that are comparable or superior in performance relative to conventionally manufactured extrudates. For the first time, ShAPE has been successfully employed in producing bimetallic Al tubing consisting of 6061 and 7075 Al alloys. Both light and electron microscopy techniques were used to investigate the integrity of the tubes, especially the interface between the core and cladding of the bimetallic tubes. Void-free bimetallic tubes were produced using ShAPE. Quantification of tube integrity was carried out with tensile testing under as-extruded and post-aged conditions. All the bimetallic tubes in the as-extruded samples exhibited uniform elongation above 5% with good tensile strength. Key insights such as material flow during bimetallic tube extrusion were obtained from the characterization of remnant billet and simulation results from a smoothed particle hydrodynamics model.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Modelling a Heaving Point-Absorber with a Closed-Loop Control System Using the DualSPHysics Code

The present work addresses the need for an efficient, versatile, accurate and open-source numerical tool to be used during the design stage of wave energy converters (WECs). The device considered here is the heaving point-absorber developed and tested by Sandia National Laboratories. The smoothed particle hydrodynamics (SPH) method, as implemented in DualSPHysics, is proposed since its meshless approach presents some important advantages when simulating floating devices. The dynamics of the power take-off system are also modelled by coupling DualSPHysics with the multi-physics library Project Chrono. A satisfactory matching between experimental and numerical results is obtained for: (i) the heave response of the device when forced via its actuator; (ii) the vertical forces acting on the fixed device under regular waves and; (iii) the heave response of the WEC under the action of both regular waves and the actuator force. This proves the ability of the numerical approach proposed to simulate accurately the fluid–structure interaction along with the WEC’s closed-loop control system. In addition, radiation models built from the experimental and WAMIT results are compared with DualSPHysics by plotting the intrinsic impedance in the frequency domain, showing that the SPH method can be also employed for system identification.

42 ENGINEERING↗
DOE OSTI2025

Additive Manufacturing of Thermal Energy Storage Composites with Microencapsulated Phase Change Materials Supported in a Multipolymer Matrix

Additive manufacturing (AM) techniques to directly integrate phase change materials (PCMs) are of interest for efficient thermal energy storage (TES) architectures. Complex, high surface-to-volume ratio composites embedded with PCM can improve thermal management with reduced material waste for customizable device fabrication. Reducing feature sizes of TES-integrated heat exchangers using AM can increase heat transfer without thermal conductivity enhancement. Here, composite AM materials containing 60 wt% microencapsulated phase change materials (MEPCM) are fabricated using off-the-shelf printers at common speeds and resolutions. High MEPCM loading in filaments is achieved with powder extrusion using two polymers, thermoplastic-polyurethane (TPU) and polycaprolactone (PCL), that mediate flexibility and rigidity for effective extrusion and printing without filament fracture or buckling. Furthermore, with PCL and TPU at 20 wt% each and 60 wt% MEPCM (P 20 T 20 M 60 ), smooth, form-stable filaments are consistently printed. Powder-based extrusion displays negligible damaging effects on the MEPCM. Printed P 20 T 20 M 60 demonstrates 105 J/g of energy storage with no degradation through 250 thermal cycles, within 5% of the theoretical storage enthalpy. Combining PCL/TPU shows good interfacial adhesion between print layers and produces high surface area objects, like 15% gyroids, and dense, 100% infilled pucks. Prints are also scalable to a 900 cm 3 honeycomb heat exchanger with an estimated 9 Wh energy storage.

25 ENERGY STORAGE↗
DOE OSTI2022

Shape-Controlled NaTaO 3 by Flux-Mediated Synthesis

NaTaO 3 is a stable and wide bandgap n-type semiconductor material with many different applications. Here, a flux-mediated synthesis method is presented for NaTaO 3 resulting in highly distinctive, substrate covering shapes via precursor chemistry variation at comparatively low temperatures. It is found that the microstructure of the resulting NaTaO 3 films can be varied from nanocubes to smooth thin films. These shapes and surface chemistries can be correlated by employing density functional theory calculations and surface sensitive X-ray photoemission spectroscopy. This study provides guidance on how to synthesize the material and tailor its shape and surface termination for different applications. Finally, as a proof of concept of one possible application, NaTaO 3 is applied to perovskite solar cells as the electron transport layer, resulting in conversion efficiencies of >19%. Further, this study provides a new strategy for designing ternary oxide thin films for renewable energy applications.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2020

Potassium Metal Batteries: Stable Potassium Metal Anodes with an All-Aluminum Current Collector through Improved Electrolyte Wetting (Adv. Mater. 49/2020)

An explorer is kayaking in uncharted territory, representing the exciting scientific pursuit of emerging metal batteries (MBs). Water is flowing smoothly over the jagged rocks, representing dendrite-free metal anodes as well as enhanced electrolyte wetting, both due to geometrical roughness. The electric eels underneath represent potassium-based energy storage, as they utilize potassium and sodium ions for electricity. In article number 2002908, Pengcheng Liu, David Mitlin, and co-workers present a route via improved electrolyte wetting toward stable potassium metal batteries with an all-aluminum current collector.

25 ENERGY STORAGE↗
DOE OSTI2021

Precipitation Hardening in Ferroelectric Ceramics

Domain wall motion in ferroics, similar to dislocation motion in metals, can be tuned by well-concepted microstructural elements. In demanding high-power applications of piezoelectric materials, the domain wall motion is considered as a lossy hysteretic mechanism that should be restricted. Current applications for so-called hard piezoelectrics are abundant and hinge on the use of an acceptor-doping scheme. However, this mechanism features severe limitations due to enhanced mobility of oxygen vacancies at moderate temperatures. By analogy with metal technology, the authors present here a new solution for electroceramics, where precipitates are utilized to pin domain walls and improve piezoelectric properties. Through a sequence of sintering, nucleation, and precipitate growth, intragranular precipitates leading to a fine domain structure are developed as shown by transmission electron microscopy, piezoresponse force microscopy, and phase-field simulation. This structure impedes the domain wall motion as elucidated by electromechanical characterization. As a result, the mechanical quality factor is increased by ≈50% and the hysteresis in electrostrain is suppressed considerably. This is even achieved with slightly increased piezoelectric coefficient and electromechanical coupling factor. This novel process can be smoothly implemented in industrial production processes and is accessible to simple laboratory experimentation for microstructure optimization and implementation in various ferroelectric systems.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Multifunctional Separator Allows Stable Cycling of Potassium Metal Anodes and of Potassium Metal Batteries

Here, this is the first report of a multifunctional separator for potassium-metal batteries (KMBs). Here, double-coated tape-cast microscale AlF 3 on polypropylene (AlF 3 @PP) yields state-of-the-art electrochemical performance: symmetric cells are stable after 1000 cycles (2000 h) at 0.5 mA cm –2 and 0.5 mAh cm –2 , with 0.042 V overpotential. Stability is maintained at 5.0 mA cm –2 for 600 cycles (240 h), with 0.138 V overpotential. Postcycled plated surface is dendrite-free, while stripped surface contains smooth solid electrolyte interphase (SEI). Conventional PP cells fail rapidly, with dendrites at plating, and “dead metal” and SEI clumps at stripping. Potassium hexacyanoferrate(III) cathode KMBs with AlF 3 @PP display enhanced capacity retention (91% at 100 cycles vs 58%). AlF 3 partially reacts with K to form an artificial SEI containing KF, AlF 3 , and Al 2 O 3 phases. The AlF 3 @PP promotes complete electrolyte wetting and enhances uptake, improves ion conductivity, and increases ion transference number. The higher of K + transference number is ascribed to the strong interaction between AlF 3 and FSI – anions, as revealed through 19 F NMR. The enhancement in wetting and performance is general, being demonstrated with ester- and ether-based solvents, with K-, Na-, or Li- salts, and with different commercial separators. In full batteries, AlF 3 prevents Fe crossover and cycling-induced cathode pulverization.

NMB↗
DOE OSTI2022

Three‐Tier Hierarchical Structures for Extreme Pool Boiling Heat Transfer Performance

Abstract Boiling is an effective energy‐transfer process with substantial utility in energy applications. Boiling performance is described mainly by the heat‐transfer coefficient (HTC) and critical heat flux (CHF). Recent efforts for the simultaneous enhancement of HTC and CHF have been limited by an intrinsic trade‐off between them—HTC enhancement requires high nucleation‐site density, which can increase bubble coalescence resulting in limited CHF enhancement. In this work, this trade‐off is overcome by designing three‐tier hierarchical structures. The bubble coalescence is minimized to enhance the CHF by defining nucleation sites with microcavities interspersed within hemi‐wicking structures. Meanwhile, the reduced nucleation‐site density is compensated for by incorporating nanostructures that promote evaporation for HTC enhancement. The hierarchical structures demonstrate the simultaneous enhancement of HTC and CHF up to 389% and 138%, respectively, compared to a smooth surface. This extreme boiling performance can lead to significant energy savings in a variety of boiling applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Multimorphic Materials: Spatially Tailoring Mechanical Properties via Selective Initiation of Interpenetrating Polymer Networks

Access to multimaterial polymers with spatially localized properties and robust interfaces is anticipated to enable new capabilities in soft robotics, such as smooth actuation for advanced medical and manufacturing technologies. Here, orthogonal initiation is used to create interpenetrating polymer networks (IPNs) with spatial control over morphology and mechanical properties. Base catalyzes the formation of a stiff and strong polyurethane, while blue LEDs initiate the formation of a soft and elastic polyacrylate. IPN morphology is controlled by when the LED is turned “on”, with large phase separation occurring for short time delays (≈1–2 min) and a mixed morphology for longer time delays (>5 min), which is supported by dynamic mechanical analysis, small angle X-ray scattering, and atomic force microscopy. Through tailoring morphology, tensile moduli and fracture toughness can be tuned across ≈1–2 orders of magnitude. Furthermore, a simple spring model is used to explain the observed mechanical behavior. Photopatterning produces “multimorphic” materials, where morphology is spatially localized with fine precision (<100 µm), while maintaining a uniform chemical composition throughout to mitigate interfacial failure. As a final demonstration, the fabrication of hinges represents a possible use case for multimorphic materials in soft robotics.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Combination of Counterion Size and Doping Concentration Determines the Electronic and Thermoelectric Properties of Semiconducting Polymers

In both chemical and electrochemical doping of organic semiconductors (OSCs), a counterion, either from the electrolyte or ionized dopant, balances the charge introduced to the OSC. Despite the large influence of this counterion on OSC optical and electronic response, there remains substantial debate on how a fundamental parameter, ion size, impacts these properties. Here, this work resolves much of this debate by accounting for two doping regimes. In the low-doping regime, the Coulomb binding energies between charge carriers on the OSC and the counterions are significant, and larger counterions lead to decreased Coulomb interactions, more delocalized charge carriers, and higher electrical conductivities. In the high-doping regime, the Coulomb binding energies become negligible due to the increased dielectric constant of the films and a smoothing of the energy landscape; thereby, the electrical conductivities depend primarily on the extent of morphological disorder in the OSC. Moreover, in regioregular poly(3-hexylthiophene), rr-P3HT, smaller counterions lead to greater bipolaron concentrations in the low-doping regime due to the increased Coulomb interactions. Emphasizing the impact of the counterion size, it is shown that larger counterions can lead to increased thermoelectric power factors for rr-P3HT.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Effect of Thermal Oxidation on the Structure, Surface Texturing, and Microstructure Evolution in Nanocrystalline Ga-O-N Films

An extensive examination of the nanoscale, crystallographic growth dynamics of the system, which is impacted by the thermal energy given to the GaN, is carried out to derive a deeper understanding of the growth kinetics, morphology and microstructure evolution, chemical bonding, and optical properties of Ga-O-N films. Thermal annealing of GaN films is performed in the temperature range of 900–1200 °C. Crystal structure, phase formation, chemical composition, surface morphology, and microstructure evolution of Ga-O-N films are investigated as a function of temperature. Increasing temperature induces surface oxidation, which results in the formation of stable β-Ga2O3 phase in the GaN matrix, where the overall film composition evolves from nitride (GaN) to oxynitride (Ga-O-N). While GaN surfaces are smooth, planar, and featureless, oxidation induced granular-to-rod shaped morphology evolution is seen with increasing temperature to 1200 °C. The considerable texturing and stability of the nanocrystalline Ga-O-N on Si substrates can be attributed to the surface and interface driven modification because of thermal treatment. Corroborating with structure and chemical changes, Raman spectroscopic analyses also indicate that the chemical bonding evolution progresses from fully Ga-N bonds to Ga-O-N. While the GaN oxidation process starts with the formation of β-Ga 2 O 3 at an annealing temperature of 1000 °C, higher annealing temperatures induce structural distortion with the potential formation of Ga-O-N bonds. The structure-phase-chemical composition correlation, which will be useful for nanocrystalline materials for selective optoelectronic applications, is established in Ga-O-N films made by thermal treatment of GaN.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Spatiotemporal Reaction Dynamics Control in Two‐Photon Polymerization for Enhancing Writing Characteristics

Since 2001, 3D microfabrication based on two‐photon polymerization (TPP) has drawn extensive attention and interest in biology, optics, photonics, material science, and high‐energy physics. The in‐volume fabrication capability due to the threshold behavior of two‐photon absorption enables TPP higher flexibility compared with other nanofabrication techniques. However, as determined by the in‐volume fabrication feature as well as various reaction dynamics, the writing characteristics of TPP, such as throughput, accuracy, surface quality, and fabrication capability, are still limited. Herein, a comprehensive study is performed on the spatiotemporal behavior of reaction dynamics during TPP fabrication, mainly focusing on spatiotemporal characteristics of radical diffusion, photothermal effect, microscale mechanics, and voxel stacking process. Based on the study, a nonsequential fabrication method is established to simultaneously improve key writing characteristics of TPP and realize sharp features, high speeds, large overhang structure, and smooth surfaces. The method established in this work can be applied to improve the performance of functional devices for various fields.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Uncooled GeSn MWIR Photodetectors Using Fully Relaxed Thin Triple‐Step Buffer

GeSn photodetectors monolithically grown on Ge virtual substrates demonstrate mid-wave infrared (MWIR) detection at room temperature. The lattice mismatch between GeSn and Ge causes dislocations and compressive strain, creating leakage pathways and unwanted indirect band transitions. Designed thin Ge 0.91 Sn 0.09 triple-step buffer layers of ≈175 nm total thickness reduce dislocations and enable full relaxation, showing 100% lattice relaxation and smooth surface roughness of 0.83 nm with shorter auto-correlation length in surface morphology compared to single-step buffers. Ge 1-x Sn x photodetectors (x = 0.09, 0.12, and 0.15) on triple-step buffers with n-i-p configurations achieve lattice strain relaxations of 99%, 88%, and 80%, respectively. Ge 0.91 Sn 0.09 and Ge 0.88 Sn 0.12 show gradual variation in auto-correlation amplitude, while Ge 0.85 Sn 0.15 shows an increase due to lattice mismatch. Shockley–Read–Hall recombination current dominates at low reverse bias due to mismatch-induced dislocations, while band-to-band tunneling current dominates at higher reverse bias due to narrowing bandgap under strong electric fields. Here, the photodetectors show extended spectral response with increasing Sn composition of i-GeSn active layer sandwiched by barriers. Ge 0.88 Sn 0.12 and Ge 0.85 Sn 0.15 exhibit extended wavelength cut-offs of 3.12 and 3.27 µm at room temperature, demonstrating significant potential for silicon-based MWIR applications.

GeSn↗
DOE OSTI2020

Robustness of Optical Response for Self-Assembled Plasmonic Metamaterials with Morphological Disorder and Surface Roughness

Bottom-up fabrication of metallized biotemplated nanostructures to form specific plasmonic nanoresonators holds promise as a means of achieving large-scale optical metamaterials. However, in contrast to top-down methods, the stochastic growth of self-assembled nanoresonators is prone to significant disorder and surface roughness, which naturally raise an important question about the robustness of their resonant properties in terms of structural imperfections. An aggregated-random-sphere model is developed to mimic the nucleated growth of metallized DNA origami assembly, leading to meta-atoms with realistic, experimentally observed morphological disorder and surface roughness. Using the well-known split-ring-resonator (SRR) motif as an example, the resonant properties of meta-atoms under different levels of roughness are investigated and a strong tolerance of optical response against morphological disorder is revealed. It is found that in SRRs, even with dramatic roughness introduced, the expected resonances are still observed, despite broadening line shapes compared to ideal smooth structure. Only for extreme disorder, which causes drastic segmentation of SRRs, does the resonant response disappear. Finally, the demonstrations are very encouraging for the prospects of bottom-up fabrication toward versatile functional metamaterials and metadevices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Significantly Promoting the Thermal Conductivity and Machinability of Negative Thermal Expansion Alloy via In Situ Precipitation of Copper Networks

Rapid advancements in electronic devices yield an urgent demand for high-performance electronic packaging materials with high thermal conductivity, low thermal expansion, and great mechanical properties. However, it is a great challenge for current design philosophies to fulfill all the requirements simultaneously. Here, an effective strategy is proposed for significantly promoting the thermal conductivity and machinability of negative thermal expansion alloy (Zr,Nb)Fe 2 through eutectic precipitation of copper networks. The eutectic dual-phase alloy exhibits an isotropic chips-matched thermal expansion coefficient and a thermal conductivity enhancement exceeding 200% compared with (Zr,Nb)Fe 2 , along with an ultimate compressive strength of 550 MPa. The addition of copper reorganizes the composition of (Zr,Nb)Fe 2 , which smooths the magnetic transition and shifts it toward higher temperature, resulting in linear low thermal expansion in a wide temperature range. The highly fine eutectic copper lamellae construct high thermal conductivity networks within (Zr,Nb)Fe 2 , serving as highways for heat transfer electrons and phonons. The in situ forming of eutectic copper lamellae also facilitates the mechanical properties by enhancing interfacial bonding and bearing additional stress after yielding of (Zr,Nb)Fe 2 . This work provides a novel strategy for promoting thermal conductivity and mechanical properties of negative thermal expansion alloys via eutectic precipitation of copper networks.

36 MATERIALS SCIENCE↗