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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Scaling Laws of Exciton Recombination Kinetics in Low Dimensional Halide Perovskite Nanostructures

Carrier recombination is a crucial process governing the optical properties of a semiconductor. Although various theoretical approaches have been utilized to describe carrier behaviors, a quantitative understanding of the impact of defects and interfaces in low dimensional semiconductor systems is still elusive. Here, we develop a model system consisting of chemically tunable, highly luminescent halide perovskite nanocrystals to illustrate the role of carrier diffusion and material dimensionality on the carrier recombination kinetics and luminescence efficiency. Our advanced synthetic methods provide a well-controlled colloidal system consisting of nanocrystals with different aspect ratios, halide compositions, and surface conditions. Using this system, we reveal the scaling laws of photoluminescence quantum yield and radiative lifetime with respect to the aspect ratio of nanocrystals. The scaling laws derived herein are not only a phenomenological observation but proved a powerful tool disentangling the carrier dynamics of microscopic systems in a quantitative and interpretable manner. The investigation of our model system and theoretical formulation bring to light the dimensionality, as a hidden constraint on carrier dynamics, and identify the diffusion length as an important parameter that distinguishes nanoscale and macroscale carrier behaviors. Furthermore, the conceptual distinction in carrier dynamics in different dimensionality regimes informs new design rules for optical devices where complex microstructures are involved.

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

Developing high performance RF heating scenarios on the WEST tokamak

High power experiments, up to 9.2 MW with LHCD and ICRH, have been carried out in the full tungsten tokamak WEST. Quasi non inductive discharges have been achieved allowing to extend the plasma duration to 53s with stationary conditions in particular with respect to tungsten contamination. Transitions in H mode are obtained lasting up to 4s with weak energy increment at the power crossing the separatrix is close to the threshold. Hot L mode plasmas (Te(0)>3keV) with a confinement time following the ITER L96 scaling are routinely obtained. The weak aspect ratio dependence of this scaling law is confirmed. Tungsten accumulation is generally not an operational issue on WEST. Difficulty of burning through tungsten can prevent from accessing to a hot core plasma in the ramp-up phase or can lead to rapid collapse of the central temperature when radiation is enhanced by a slight decrease of the temperature. Apart few pulses post-boronization, the plasma radiation is rather high (Prad/Ptot~50%) and is dominated by tungsten. This fraction does not vary as the RF power is ramped up and is quite similar in ICRH and/or LHCD heated plasmas. An estimate of the contribution of the RF antennas to the plasma contamination in tungsten is given.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Two-Dimensional Energy Histograms as Features for Machine Learning to Predict Adsorption in Diverse Nanoporous Materials

A major obstacle for machine learning (ML) in chemical science is the lack of physically informed feature representations that provide both accurate prediction and easy interpretability of the ML model. In this work, we describe adsorption systems using novel two-dimensional energy histogram (2D-EH) features, which are obtained from the probe-adsorbent energies and energy gradients at grid points located throughout the adsorbent. The 2D-EH features encode both energetic and structural information of the material and lead to highly accurate ML models (coefficient of determination R2 ~ 0.94–0.99) for predicting single-component adsorption capacity in metal–organic frameworks (MOFs). Here, we consider the adsorption of spherical molecules (Kr and Xe), linear alkanes with a wide range of aspect ratios (ethane, propane, n-butane, and n-hexane), and a branched alkane (2,2-dimethylbutane) over a wide range of temperatures and pressures. The interpretable 2D-EH features enable the ML model to learn the basic physics of adsorption in pores from the training data. We show that these MOF-data-trained ML models are transferrable to different families of amorphous nanoporous materials. We also identify several adsorption systems where capillary condensation occurs, and ML predictions are more challenging. Nevertheless, our 2D-EH features still outperform structural features including those derived from persistent homology. The novel 2D-EH features may help accelerate the discovery and design of advanced nanoporous materials using ML for gas storage and separation in the future.

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

Polypropylene Composites Reinforced With Recycled Waste Cellulosic Fiber/Fine Mixture: The Impact of Cellulose Sieving on Performance

This study explores how a sieving step of waste cellulosic fiber and fine (WCFF) mixture affects the performance of WCFF‐loaded polypropylene (PP) composites and whether the separation of fines from fibers offers an added benefit. The WCFF samples were downsized, and four different filler size ranges were sieved using a series of mesh sizes from 4 to 0.85 mm. The WCFF/PP composites were then compounded at 20 wt.% loading of WCFF using a twin‐screw extruder. Incorporating WCFF increased the tensile strength to 41.28 MPa and the modulus to 3207 MPa, accounting for 28% and 38% enhancements, respectively. Interestingly, the greatest improvements were associated with the nonsieved WCFF case, and the sieved WCFF fibers provided only marginal enhancements over virgin PP. The outperformance of nonsieved WCFF was attributed to the synergistic reinforcement of hybrid fibers and fines as well as the maintenance of longer fibers in the system. However, the strain at break and impact strength of PP decreased after introducing WCFF. Moreover, the complex viscosity and storage modulus increased with an increase in the filler size, due to the formation of a more effective percolative network. The PP's crystallinity exhibited a relatively strong dependency on the sieving, where WCFF samples with short‐aspect‐ratio fillers promoted the crystallinity significantly. It was also found that the WCFF degradation onset temperature increased once it was incorporated into PP. This study suggests that waste cellulosic feedstocks can be utilized as a reinforcement without additional sieving to manufacture high‐performance and cost‐effective composites.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Effect of penetrant–polymer interactions and shape on the motion of molecular penetrants in dense polymer networks

The diffusion of dilute molecular penetrants within polymers plays a crucial role in the advancement of material engineering for applications such as coatings and membrane separations. The potential of highly cross-linked polymer networks in these applications stems from their capacity to adjust the size and shape selectivity through subtle changes in network structures. In this paper, we use molecular dynamics simulation to understand the role of penetrant shape (aspect ratios) and its interaction with polymer networks on its diffusivity. We characterize both local penetrant hopping and the long-time diffusive motion for penetrants and consider different aspect ratios and penetrant–network interaction strengths at a variety of cross-link densities and temperatures. The shape affects the coupling of penetrant motion to the cross-link density- and temperature-dependent structural relaxation of networks and also affects the way a penetrant experiences the confinement from the network meshes. The attractive interaction between the penetrant and network primarily affects the former since only the system of dilute limit is of present interest. These results offer fundamental insights into the intricate interplay between penetrant characteristics and polymer network properties and also suggest future directions for manipulating polymer design to enhance the separation efficiency.

Chemistry↗
DOE OSTI2024

Re‐evaluating the energy balance of the many routes of carbon flow through and from photorespiration

Photorespiration is an essential process related to photosynthesis that is initiated following the oxygenation reaction catalyzed by rubisco, the initial enzyme of the Calvin–Benson–Bassham cycle. This reaction produces an inhibitory intermediate that is recycled back into the Calvin–Benson–Bassham cycle by photorespiration which requires the use of energy and the release of a portion of the carbon as CO 2 . The energy use and CO 2 release of canonical photorespiration form a foundation for biochemical models used to describe and predict leaf carbon exchange and energy use (ATP and NAPDH). The ATP and NADPH demand of canonical photorespiration is thought to be different than that of the Calvin–Benson–Bassham cycle, requiring increased flexibility in the ratio of ATP and NADPH from the light reactions. Photorespiration requires many reactions across the chloroplasts, mitochondria and peroxisomes and involves many intermediates. Growing evidence indicates that these intermediates do not all stay in photorespiration as typically assumed and instead feed into other aspects of metabolism and leave as glycine, serine, and methylene‐THF. Here we discuss how alternative flux through and from canonical photorespiration alters the ATP and NADPH requirements of metabolism following rubisco oxygenation using additional derivations of biochemical models of leaf photosynthesis and energetics. Using these new derivations, we determine that the ATP and NADPH demands of photorespiration are highly sensitive to alternative flux in ways that fundamentally changes how photorespiration contributes to the ratio of total ATP and NADPH demand. Specifically, alternative flows of carbon through photorespiration could reduce ATP and NADPH demand ratio to values below what is produced from linear electron transport.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Low Cost Glass-Ceramic Matrix Composite Heat Exchanger

As part of ARPA-E’s High Intensity Thermal Exchange through Materials and Manufacturing Processes (HITEMMP) program, this project sought to develop novel heat exchanger (HX) capabilities to enable efficient and power dense power generation cycles. This class of HX comes under the category of ceramic/composite materials with the higher temperature goal in the program of ≥1100 °C inlet temperature operation. The enabling capability of this effort is the use of glass-ceramic matrix composite (GCMC) material which provides the high temperature durability of a ceramic, the flaw tolerance of a composite, a significantly faster and lower cost manufacturing process than conventional matrix CMCs and very low porosity levels < 0.5%. For thin-walled HX structures and the need to minimize leakage, the low porosity differentiator is particularly important. RTRC has prior experience with this material system and in the current project advanced the component design and manufacturing methods into new territory to produce features required for effective heat exchange under high pressures. In this approach, silicon carbide fiber is fabricated into a fiber preform using various textile processes. Graphite tooling is used both during the build-up of the fiber preform (interior tooling) and after the fiber preform has been completed (exterior tooling). This tooling assembly is heated to high temperature in an environment that has been evacuated and backfilled with inert gas. A reservoir of specialty glass is present and once the desired temperature has been reached to achieve the desired glass viscosity, an actuator distributes the glass throughout the fiber preform using passageways which are part of the tooling design in a process known as glass transfer molding. After the tooling has been removed, the composite is heat treated to convert the amorphous glass to a crystalline ceramic, providing improved properties. The project was divided into three phases focusing on the following: 1) 10 kW HX design and coupon-level tube sheet fabrication, 2) 10 kW HX fabrication, 3) 50 kW HX fabrication. During Budget Period 1 (BP1), additional risks were encountered and the need for additional funds was agreed upon by ARPA-E program leadership. Due to a variety of factors, the contract modification required nominally 18 months to execute at which time the HITEMMP program was effectively concluding. Because of this and the time that would be required to perform BP2 tasks, it was decided to conclude the project at the end of BP1. During the design of the 10 kW HX, manufacturing constraints were learned and incorporated, leading to a revised configuration for the fiber preform and HX. Heat exchange and pressure drop predictions also played a role in modifying the original design concept to be a higher aspect ratio shell-and-tube HX, simplifying the manufacturing process and improving the heat exchanger performance. Good gravimetric and volumetric thermal power densities of 11.2 kW/kg and 10,200 kW/m3 for the entire HX were projected that involved thermo-structural Finite Element Analysis to determine the structural mass needed for the high operation pressures of 250 bar cold inlet and 80 bar hot inlet. Fiber preforms using textile processes were produced for multiple headered tube sheets. Additional challenges were encountered during the glass transfer molding step for which solutions were identified, but programmatics did not allow them to be implemented in BP1. While complete HX test articles were not fabricated, the benefits of this GCMC material for a variety of high temperature applications remain.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2025

Two-Frequency RF Fields Induced Multipactor in Coaxial Transmission Lines

Multipactor is a nonlinear discharge phenomenon that occurs in vacuum RF systems, potentially leading to signal distortion, power loss, and even permanent damage to high-power components. This study presents a detailed investigation of two-surface multipactor in coaxial transmission lines under two-frequency excitation, using one-dimensional (1D) Monte Carlo simulations validated by three-dimensional (3D) Particle-in-Cell (PIC) results and experimental data. Introducing a second carrier mode is shown to suppress multipactor by reshaping and shrinking the susceptibility region, with the extent and location of suppression strongly dependent on the device aspect ratio and the relative phase of the second mode. Distinct suppression patterns emerge across different frequency–gap distance (fd) regimes, and in certain cases, susceptibility expansion is also observed. The study identifies and distinguishes pure and mixed multipactor modes in coaxial geometry, where analytical mode boundaries are not readily defined. Unlike planar systems, pure-mode regions in coaxial structures overlap with mixed-mode domains, complicating classification. Image charge forces are found to have minimal effect on susceptibility thresholds but do influence electron growth rates. These findings provide new insights into waveform-driven control of multipactor in high-power RF systems.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Predicting phase behavior in high entropy and chemically complex alloys

The interest in high entropy alloys and other metallic compounds with four or more elements at near-equiatomic ratios has drawn attention to the ability to rapidly predict phase behavior of these complex materials, particularly where existing thermodynamic data are lacking. In this paper, we discuss aspects of this from the point of view of predicting without utilizing (or fitting) experimental data. Of particular interest are heuristic approaches that provide prediction of single-phase compositions, more rigorous approaches that tackle the thermodynamics from a more fundamental point of view, and simulation approaches that provide further insight into the behaviors. This paper covers cases of all three of these, in order to examine the strengths and weaknesses of each approach, and to indicate directions where these may be utilized and improved upon. Of particular interest is moving beyond “which composition may form a solid solution,” to recognizing the importance of underlying thermodynamic realities that affect the temperature- and composition-dependent transformations of these materials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Gold Quantum Rods: Modulation of Singlet and Triplet Exciton Populations by the Rod Length

Abstract Gold quantum rods (QRs) of Au60, Au78, Au96, and Au114 (protected by thiolate ligands) exhibit exclusive fluorescence, which is different from the shorter Au42 QR with dual emission (fluorescence + phosphorescence). Herein, we report the excitation wavelength-dependent near-infrared-II photoluminescence (PL) and exciton dynamics of this series of QRs. Interestingly, the fluorescence quantum yield (QY) of the QRs is much higher (2–10×) when the lowest singlet excited state (S1) is excited compared to the excitation of high-lying states (Sn). A metastable intermediate singlet state (denoted S′) is identified by transient absorption spectroscopy when Sn is excited, and this S′ state leads to fast “skybridge” intersystem crossing (ISC), which contributes primarily (>60%) to the total triplet population. With increasing aspect ratio (AR) of QRs (from 6.3 to 18.7), nonradiative processes accelerate, leading to fast decay of the S1 state (hence, less QY) and of the T1 state (barely phosphorescent). A detailed energy flow mechanism is determined for the QRs after photoexcitation, which offers a design principle for manipulation of exciton dynamics toward potential utilization of higher excited states in applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Developing high performance RF heating scenarios on the WEST tokamak

High power experiments, up to 9.2 MW with LHCD and ICRH, have been carried out in the full tungsten tokamak WEST. Here, quasi non inductive discharges have been achieved allowing to extend the plasma duration to 53 s with stationary conditions in particular with respect to tungsten contamination. Transitions to H mode are observed, and H-modes lasting up to 4 s have been obtained. The increase in stored energy is weak since the power crossing the separatrix is close to the L–H threshold. Hot L mode plasmas (central temperature exceeding 3 keV) with a confinement time following the ITER L96 scaling law are routinely obtained. The weak aspect ratio dependence of this scaling law is confirmed. Tungsten accumulation is generally not an operational issue on WEST. Difficulty of burning through tungsten can prevent the discharge from accessing to a hot core plasma in the ramp-up phase, or can lead to rapid collapse of the central temperature when radiation is enhanced by a slight decrease of the temperature. Except a few pulses post-boronization, the plasma radiation is rather high (P rad /P tot ~ 50%) and is dominated by tungsten. This fraction does not vary as the RF power is ramped up and is quite similar in ICRH and/or LHCD heated plasmas. An estimate of the contribution of the RF antennas to the plasma contamination in tungsten is given.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Performance testing of the iX Cameras iSpeed 727 high-speed camera

This work evaluated the iX Cameras iSpeed 727, a commercial CMOS-based continuous- recording high-speed camera. Various parameters of importance in the scheme of accurate time-resolved measurements and photonic quantification have been measured under controlled conditions on the bench, using state-of-the-art instrumentation. We will detail the procedures and results of the tests laid out to measure sensor sensitivity, linearity, signal-to-noise ratio and image lag. We also looked into the electronic shutter performance and accuracy, as exposure time is of particular interest to high-speed imaging. The results of the tests show that this camera matches or exceeds the performance of competing units in most aspects, but that, as is the case for other high-speed camera systems, corrections are necessary to make full use of the image data from a quantitative perspective.

42 ENGINEERING↗
DOE OSTI2020

Infiltration synthesis of hybrid nanocomposite resists for advanced nanolithography

In this work, we demonstrate a simple ex-situ inorganic infiltration route for transforming standard organic resists into highperformance positive tone hybrid resist platform. A model thin film PMMA-AlOx hybrid resist system has been synthesized by hybridization of PMMA with AlOx and investigated for electron beam lithography. The approach possesses full controllability of the resist performance in terms of critical does, patterning contrast reaching up to 30 and etch resistance for plasma-based pattern transfer processes. The high selectivity Si etching capability demonstrated using a lowtemperature cryo-Si etch process, based on the controlled infiltration outperforms commercial resists and typical hard mask material thermal SiO 2 , with estimated achievable selectivity in excess of ~300. Si nanostructures down to ~30 nm with aspect ratio up to ~17 are also transferred into the Si substrate. Easy implementation and adaptability for different inorganic infiltrations, this platform is well capable of potentially delivering the resist performance and throughput necessary for EUV lithography.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Strong effect of liquid Fe–S on elastic wave velocity of olivine aggregate: Implication for the low velocity anomaly at the base of the lunar mantle

The origin of the seismic low velocity zone (LVZ) observed at the base of the lunar mantle is important for understanding the nature of the lunar mantle. Liquid Fe–S is considered as a possible candidate of the cause of the LVZ. However, effect of liquid Fe–S on elastic wave velocity of mantle rock has been considered to be minor, according to theoretical estimation based on the high dihedral angle of liquid Fe–S in olivine aggregate observed in previous microstructural analysis of polished sample cross sections. Here, in this work, we carry out direct measurements of elastic wave velocities of liquid Fe–S-bearing olivine aggregate and report strong reduction of the elastic wave velocities in the presence of liquid Fe–S. The effects of liquid Fe–S in olivine aggregates are much more pronounced than the theoretical estimation. Three-dimensional X-ray microtomography analysis reveals that the geometry of liquid Fe–S strongly depends on the size, with larger liquid Fe–S blobs having low aspect ratios, which may predominantly affect elastic wave velocity. Since smaller spherical Fe–S blobs are much more abundant than the larger elongated blobs, conventional dihedral angle analyses based on scanning electron microscope images tend to statistically over-sample smaller blobs and under-sample larger blobs. Our results suggest that the LVZ at the base of the lunar mantle can be explained by the presence of 4.3–5.0 vol.% liquid Fe–S. The LVZ may be a hidden reservoir of highly siderophile elements (HSEs), which may explain the low abundance of HSEs in the lunar mantle compared to the Earth.

58 GEOSCIENCES↗
DOE OSTI2025

Graphene reinforced UHMWPE fibers

Thermoplastic polymers are increasingly used in electric vehicles, hydrogen fuel cell vehicles, and other decarbonization applications due to their lightweight and formability. Higher-strength polymers are needed to supplant metals in the vehicle structure, thereby reducing mass and improving efficiency. Ultra-high molecular weight polyethylene (UHMWPE) fibers possess one of the highest strength-to-weight ratios of technical polymers, and further improvement via reinforcement by nanofillers, such as graphene, will expand their performance envelope. Here, in this work, UHMWPE/graphene nanocomposite fibers were gel spun and characterized for their morphological, microstructural, thermal, and mechanical properties. The addition of a low fraction of graphene improved the tensile strength of the fibers by 25% and tensile modulus by 32%. Differential scanning calorimetry showed an increase in melting temperature and degree of crystallinity, which indicates improved coordination of the molecular chains induced by the addition of graphene. The reinforcement also affected the cross-sectional shape of the fibers; the aspect ratio of the fibers’ elliptical shape declined with increasing graphene content showing the skeletal effect of the graphene nanofillers in the polymer matrix. The reinforcing effect of graphene declined above a threshold concentration, and theoretical modeling was applied to demonstrate that increased agglomerates led to reduced properties. This work demonstrates a simple, effective method to produce graphene-reinforced UHMWPE fibers and lays a foundation for understanding the potential for leveraging graphene to form ultra-high-performance nanocomposite fibers for myriad engineering applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A magnetic diagnostic suite for the Pegasus-III experiment

Pegasus-III is an ultralow aspect ratio spherical tokamak providing a dedicated US experiment for comparative solenoid-free startup studies. A new magnetic diagnostic suite for equilibrium and low frequency (<200 kHz) magnetohydrodynamic mode analysis has been installed. These new diagnostics address the significant challenges of measuring magnetic field in a high noise environment with the majority constrained to fit in an 8 mm diagnostic gap on the high field side. Electrostatic switching noise generated by the 16 independent current feedback-controlled power supplies produces dV cm /dt ~ 1 kV/μs and volt level common mode noise on the magnetics. Immunity to this switching noise is accomplished through differential signal runs and signal processing, along with end-to-end electromagnetic interference shielding. The magnetic measurements are simultaneously digitized at 1 MHz and conditioned by precision 8 pole Butterworth filters with a corner frequency of 200 kHz to prevent aliasing down to the 16-bit level over the full passband. Ex-vessel calibrations of the B p coils were completed with a typical uncertainty of <0.5%. Stray toroidal field pickup from coil misalignment or positioning errors is corrected using a physics-based model. Comparisons of the corrected measurements to modeling agree to within 1.3% on average. This is within the 1.5% measurement uncertainty that a sensitivity analysis determined is needed for accurate fast boundary and equilibrium reconstruction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

High-heat transfer lithium-ion batteries: A new era in battery thermal management

Despite advances in lithium-ion battery technology, critical challenges remain that must be addressed to accelerate electric vehicle (EV) adoption and global energy transformation. Significantly improved battery thermal management (BTM) is key to overcoming these challenges. BTM approaches focus on increasing heat transfer coefficients via air, liquid, or refrigerant cooling, but less attention is given to reducing the battery's thermal resistance, a major bottleneck for heat transfer. This work introduces a novel approach to reduce battery thermal resistance by integrating in-plane heat transfer with optimized cell geometry, minimized thermal resistances, and reduced interfacial resistances, representing a departure from previous methods. The standard prismatic can cell incorporating this technology is referred to as the high heat transfer (HHT) battery. An equivalent resistance battery thermal model is developed for speed and accuracy, validated against experimental data in the literature, demonstrating strong correlation and ensuring reliable predictions for real-world performance. Thermal performance metrics of the conventional and HHT batteries are compared using a parametric study with air, liquid, and refrigerant boundary conditions across a range of aspect ratios. The HHT battery shows a heat removal rate up to 20 times higher than a conventional battery. These findings suggest that HHT technology could be transformative for EV battery performance, enabling fast charging, mitigating thermal runaway, extending battery life, reducing cold-weather power loss, increasing reliability, lowering costs, and enabling higher energy density, all critical for EV adoption and energy transformation. Future work will focus on prototyping and real-world testing to refine these findings for commercial-scale applications.

25 ENERGY STORAGE↗