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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Analysis of ducted fuel injection at high-pressure transcritical conditions using large-eddy simulations

Ducted fuel injection (DFI) is a proposed fuel injection concept for achieving substantial reductions in emissions. In this concept, the fuel is injected through a coannular duct, resulting in increased fuel-air mixing and minimized formation of soot and other unwanted combustion products. Apart from comprehensive experimental investigations on DFI, so far computational studies have been limited to single-point Reynolds-averaged Navier Stokes simulations. Therefore, the objective of this work is to complement these studies by performing large-eddy simulations using a diffuse-interface method to examine the physical mechanisms and combustion processes of DFI, specifically focusing on the mixing process and the effect of fuel-ducting on combustion and pollutant emissions. To this end, finite-rate chemistry simulations are performed of the DFI configuration corresponding to the Engine Combustion Network Spray A injector at transcritical conditions (n-dodecane fuel, 60 bar pressure and 1000 K temperature chamber conditions). A two-equation soot model is employed for the qualitative analysis of soot emissions. Direct comparisons of averaged and instantaneous flow field results with the Spray A configuration are performed to assess the effect of DFI on the first- and second-stage ignition and soot formation. Compared to the free-spray condition, the results show that the DFI case exhibits a combination of (i) increased mass flow rate and entrained air, (ii) larger pressure drop magnitude and flow velocity, and (iii) a closer-to-stoichiometric mixture composition (both globally and locally), each of which is conjectured to contribute toward reduced soot production.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Ion-chain sympathetic cooling and gate dynamics

Sympathetic cooling is a technique often employed to mitigate motional heating in trapped-ion quantum computers. However, choosing system parameters such as number of coolants and cooling duty cycle for optimal gate performance requires evaluating trade-offs between motional errors and other slower errors such as qubit dephasing. The optimal parameters depend on cooling power, heating rate, and ion spacing in a particular system. In this study, we aim to analyze best practices for sympathetic cooling of long chains of trapped ions using analytical and computational methods. We use a case study to show that optimal cooling performance is achieved when coolants are placed at the center of the chain and provide a perturbative upper bound on the cooling limit of a mode given a particular set of cooling parameters. In addition, using computational tools, we analyze the trade-off between the number of coolant ions in a chain and the center-of-mass mode heating rate. We also show that cooling as often as possible when running a circuit is optimal when the qubit coherence time is otherwise long. These results provide a roadmap for how to choose sympathetic cooling parameters to maximize circuit performance in trapped-ion quantum computers using long chains of ions.

Cooling & trapping↗
DOE OSTI2020

Constraining the destruction rate of K 40 in stellar nucleosynthesis through the study of the Ar 40 ( p , n ) K 40 reaction

Background: We present that K 40 plays a significant role in the radiogenic heating of Earth-like exoplanets, which can affect the development of a habitable environment on their surfaces. The initial amount of K 40 in the interior of these planets depends on the composition of the interstellar clouds from which they formed. Within this context, nuclear reactions that regulate the production of K 40 during stellar evolution can play a critical role. Purpose: In this study, we constrain for the first time the astrophysical reaction rate of K 40 ( n , p ) Ar 40 , which is responsible for the destruction of K 40 during stellar nucleosynthesis. We provide to the nuclear physics community high-resolution data on the cross section and angular distribution of the Ar 40 ( p , n ) K 40 reaction. These are important to various applications involving Ar 40 . The associated reaction rate of the Ar 40 ( p , n ) K 40 process addresses a reaction rate gap in the Joint Institute for Nuclear Astrophysics REACLIB database in the region of intermediate-mass isotopes. Methods: We performed differential cross-section measurements on the Ar 40 ( p , n ) K 40 reaction, for six energies in the center-of-mass system between 3.2 and 4.0 MeV and various angles between 0 ° and 135 ° . The experiment took place at the Edwards Accelerator Laboratory at Ohio University using the beam swinger target location and a standard neutron time-of-flight technique. We extracted total and partial cross sections by integrating the double differential cross sections we measured. Results: The total and partial cross sections varied with energy due to the contribution from isobaric analog states and Ericson type fluctuations. The energy-averaged neutron angular distributions were symmetrical relative to 90 ° . Based on the experimental data, local transmission coefficients were extracted and were used to calculate the astrophysical reaction rates of Ar 40 ( p , n ) K 40 and K 40 ( n , p ) Ar 40 reactions. The new rates were found to vary significantly from the theoretical rates in the REACLIB library. We implemented the new rates in network calculations to study nucleosynthesis via the slow neutron capture process, and we found that the produced abundance of K 40 is reduced by up to 10% compared to calculations with the library rates. At the same time, the above result removes a significant portion of the previous theoretical uncertainty on the K 40 yields from stellar evolution calculations. Conclusions: Our results support a destruction rate of K 40 in massive stars via the K 40 ( n , p ) Ar 40 reaction that is larger compared to previous estimates. The rate of K 40 destruction via the K 40 ( n , p ) Ar 40 reaction now has a dramatically reduced uncertainty based on our measurement. Lastly, this result directly affects the predicted stellar yields of K 40 from nucleosynthesis, which is a critical input parameter for the galactic chemical evolution models that are currently employed for the study of significant properties of exoplanets.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Color optimization of red OLEDs via periodic and gradient deposition rate of fluorescent dopants

We have investigated a method to enhance the light emission efficiency and color tuning for mixture of dyes with varying the growth parameters, during Alq{sub 3}:Nile Red deposition. We used solvent bath and green laser (532 nm) for improvement of the performance of devices. This paper presents two kind of evaporation method, periodic and gradient. We observed that periodic emission layers can greatly improve the device performances such as electroluminescence, chromaticity coordinates, luminance, and reduced the turn on voltage. The periodic 3 structure with evaporation rate of (0.1 → 3 → 2 → 3 → 2 → 0.1 A°/s) has a luminance of 3000 cd/m{sup 2} and maximum efficiency of 1.8 cd/A at 18 V which are the highest values among devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Twisted nanocolumns for LIBs via phi-sweep method in ion assisted e–beam deposition

In this work, twisted nanostructured silicon-copper (with 19%at. copper) thin film is fabricated by glancing angle deposition phi-sweep process of ion beam assisted electron beam evaporation method. The thin film delivers 977 mAh g(-1) after 100 cycles, when cycled with 100 mA g(-1) rate and performs 280 mAh g(-1) at 2.5 A g(-1) rate. The morphological and the compositional particularities of the electrode might govern this noticeable cycle performance: Gaps among the nanostructures accommodate large volume changes and provide easy access to lithium ions for reacting with silicon to deliver high capacity. Plus, the direct connection of nanostructures to the current collector displays short lithium travelling distance promoting lithiation kinetic. Moreover, small intermetallics creating electronic conductive pathways enhance the reversibility. And finally, 5 min ion assisted deposition increases the adhesion of the film while avoiding possible delamination, hence quick failure of the electrode in the early stages of cycling.

electron beam evaporation method↗
DOE OSTI2024

Rapid and automated design of two-component protein nanomaterials using ProteinMPNN

The design of protein–protein interfaces using physics-based design methods such as Rosetta requires substantial computational resources and manual refinement by expert structural biologists. Deep learning methods promise to simplify protein–protein interface design and enable its application to a wide variety of problems by researchers from various scientific disciplines. Here, we test the ability of a deep learning method for protein sequence design, ProteinMPNN, to design two-component tetrahedral protein nanomaterials and benchmark its performance against Rosetta. ProteinMPNN had a similar success rate to Rosetta, yielding 13 new experimentally confirmed assemblies, but required orders of magnitude less computation and no manual refinement. The interfaces designed by ProteinMPNN were substantially more polar than those designed by Rosetta, which facilitated in vitro assembly of the designed nanomaterials from independently purified components. Crystal structures of several of the assemblies confirmed the accuracy of the design method at high resolution. Our results showcase the potential of deep learning–based methods to unlock the widespread application of designed protein–protein interfaces and self-assembling protein nanomaterials in biotechnology.

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

Development and Validation of MALAMUTE model for Electric Field Assisted Sintering of Structural Materials

Fusion power plant designs feature extreme material performance requirements for structural material candidates. In addition to conventional alloys, more advanced composites and oxide dispersion strengthened (ODS) alloys are being explored, however, achieving the desired microstructures to maximize performance using traditional manufacturing methods can be challenging. The advanced manufacturing (AM) electric field-assisted sintering (EFAS) technique offers improved control over the final microstructure through higher heating and cooling rates and moderate pressures. Modeling and simulation tools show promise in elucidating the process-structure-property-performance (PSPP) correlation for AM-produced parts, including the EFAS process. An inherently multiscale process, the EFAS technique aligns well with the multiscale modeling capability of the open-source Multiphysics Object-Oriented Simulation Environment (MOOSE)[cite]. We present here an electro-thermo-mechanical approach to modeling the EFAS process using the MOOSE Application Library for Advanced Manufacturing UTilitiEs (MALAMUTE) code. Prediction of the field and gradient distributions across the EFAS tooling is required to accurately describe the conditions for the lower-scale microstructural evolution models. In this work we present the MALAMUTE model developed to predict the electrical potential, temperature, and mechanical stress distribution across the EFAS graphite tooling and part at the larger engineering-scale. Validation of the MALAMUTE engineering-scale model is completed using data from experimental densification and pre-densified runs of iron powder via EFAS at 1000oC. These runs were conducted using a Thermal Technology DCS-5 EFAS system. Data collected during the experiment runs include the direct current (DC) supplied to the graphite tooling, the temperature of the graphite tooling as measured with a pyrometer, and the force applied to the top of the graphite tooling stack, and the data were recorded every 10 seconds. Our validation approach used the current and force data from the EFAS run as boundary condition inputs to the MAMALUTE simulation; the temperature data were used to evaluate the MALAMUTE EFAS model prediction. Results of the MALAMUTE simulations are employed to connect the external pyrometer temperature measurement to the temperature profile across the part undergoing consolidation. We investigate the impact of material property variation and mesh deformation on the temperature profile as predicted by MALAMUTE. We conclude by highlighting projects where the MALAMUTE EFAS modeling and simulation capabilities will be used to assist experimental design.

36 - MATERIALS SCIENCE↗
DOE OSTI2018

Elevated‐Temperature 3D Printing of Hybrid Solid‐State Electrolyte for Li‐Ion Batteries

Abstract While 3D printing of rechargeable batteries has received immense interest in advancing the next generation of 3D energy storage devices, challenges with the 3D printing of electrolytes still remain. Additional processing steps such as solvent evaporation were required for earlier studies of electrolyte fabrication, which hindered the simultaneous production of electrode and electrolyte in an all‐3D‐printed battery. Here, a novel method is demonstrated to fabricate hybrid solid‐state electrolytes using an elevated‐temperature direct ink writing technique without any additional processing steps. The hybrid solid‐state electrolyte consists of solid poly(vinylidene fluoride‐hexafluoropropylene) matrices and a Li + ‐conducting ionic‐liquid electrolyte. The ink is modified by adding nanosized ceramic fillers to achieve the desired rheological properties. The ionic conductivity of the inks is 0.78 × 10 −3 S cm −1 . Interestingly, a continuous, thin, and dense layer is discovered to form between the porous electrolyte layer and the electrode, which effectively reduces the interfacial resistance of the solid‐state battery. Compared to the traditional methods of solid‐state battery assembly, the directly printed electrolyte helps to achieve higher capacities and a better rate performance. The direct fabrication of electrolyte from printable inks at an elevated temperature will shed new light on the design of all‐3D‐printed batteries for next‐generation electronic devices.

Cheng, Meng↗
DOE OSTI2019

Imaging and Endovascular Treatment of Bleeding Pelvic Fractures: Review Article

Pelvic fractures are potentially life-threatening injuries with high mortality rates, mainly due to intractable pelvic arterial bleeding. However, concomitant injuries are frequent and may also be the cause of significant blood loss. As treatment varies depending on location and type of hemorrhage, timely imaging is of critical importance. Contrast-enhanced CT offers fast and detailed information on location and type of bleeding. Angiography with embolization for pelvic fracture hemorrhage, particularly when performed early, has shown high success rates as well as low complication rates and is currently accepted as the first method of bleeding control in pelvic fracture-related arterial hemorrhage. In the current review imaging workup, patient selection, technique, results and complications of pelvic embolization are described.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2026

Full-Strength Additive Manufacturing of Pure Aluminum Alloy 7075 Using Liquid Metal Jet Printing

Additive manufacturing (AM) of high-strength aluminum alloys can produce high-performance aerospace and biomedical parts with unique geometries and functions. However, many high-performance alloy systems such as AA 7075 pose challenges during AM due to thermal cycles that cause hot cracking, limiting AM to casting-friendly alloys. Stock AA 7075 alloy poses additional challenges due to the excessive growth of insoluble precipitates during casting and needs to be thermomechanically processed to obtain acceptable mechanical properties. Here, this work uses liquid metal jet printing to produce high-resolution pure AA 7075 parts at high strength (593 MPa) and ductility (10 pct), surpassing the specific strength of any type of steel. The parts are printed by depositing fine droplets on a high-temperature substrate that reduces cooling rates, preventing hot cracking. The results show that fully dense, crack-free parts can only be printed at substrate temperatures of 500 °C with a cooling rate threshold of < 2000 K/s to prevent cracking and < 500 K/s to eliminate porosity. The tensile strength, microhardness, and ductility of the parts matched or were beyond the wrought alloy specifications after heat treatment, possibly due to high solidification rates that produce finer insoluble precipitates. Our results indicate that many challenging high-performance alloy systems can now be 3D printed based on the critical thresholds for cooling rates using any AM method that can satisfy these conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Unveiling the role of structural vacancies in Mn-based Prussian blue analogues for energy storage applications

Prussian blue analogues (PBAs) are promising cathode materials for monovalent- and multivalent-ion batteries due to their large framework structures. Nevertheless, the influence of lattice vacancies on their electrochemical performance has not been thoroughly clarified, hindering the further development of PBAs. Here we identify two types of functional vacancies, i.e., structural vacancies (SVs) and incidental vacancies (IVs), in manganese hexacyanoferrate (MnHCF) through synchrotron-based X-ray absorption spectroscopy and density functional theory calculations. Unlike structurally disordered IVs, the introduction of structurally ordered SVs promotes ion transport and reduces the interaction between host ions and the framework, enabling improved cycling and rate performance. The controllable adjustment of SVs in K-rich MnHCF is achieved through a co-reactant method. Furthermore, the partial introduction of SVs in K-rich MnHCF is demonstrated to favor both a milder structural evolution by alleviating the Jahn–Teller distortion of Mn 3+ and a stable dynamic process of interface reaction. As a result, this study unveils the potential importance of incorporating structural vacancies into MnHCF for advanced energy storage applications.

Gao, Chongwei↗
DOE OSTI2026

Cold compressor performance and energy consumption improvements at Jefferson Lab’s Central Helium Liquefiers

Abstract Jefferson Lab operates two central helium liquefiers (CHLs) which both utilize full cold compression from the saturation pressure at operating temperature (approximately 2.1 K) to just over atmospheric pressure. The original plant, CHL1, was recently outfitted with a replacement subatmospheric cold box (SC1R) containing state-of-the-art cold compressor technology, while the newer plant, CHL2, uses an older cold compressor system. In both cases, the heat of compression is absorbed at low temperature at the expense of electrical power consumed by the warm compressors. Due to the superior efficiency and turndown capabilities of SC1R, a new operating mode has been identified for CHL1 in which the required number of operating warm compressors is reduced by one. A cost-based method for optimizing cold compressor stability and efficiency has been developed and applied to CHL2, improving its turndown and lowering the warm compressor discharge pressure. As a result of these efforts, power consumption of the combined CHLs during normal operations has been reduced by nearly 10%, or a total of 650 kW. The observed performance of CHL1 with SC1R, as well as the cold compressor optimization method, leading to this improved energy consumption rate will be discussed in detail.

Mastracci, B [Thomas Jefferson National Accelerato↗
DOE OSTI2023

Proton-Conducting Solid Oxide Electrolysis Cells for Large-scale Hydrogen Production at Intermediate Temperatures

Proton-conducting electrolyte based SOECs offer potential for operation at low to intermediate temperatures. Although yttrium-doped barium zirconate (BZY) and ceria-doped barium zirconate (BCY) have conductivity of 0.01 and 0.017 S.cm -1 respectively at 650C in comparison to the conductivity of 0.015 S.cm -1 for 8-YSZ at 850°C, there remains technology gaps and research needs related to understanding of chemical and structural stability in oxidizing and/or reducing atmospheres at intermediate temperatures, material processing and densification techniques, high polarization losses, and electrode poisoning due to intrinsic and extrinsic gas phase contaminants. Synthesis methods have produced proton-conducting materials and cells that met degradation rate targets, showcasing stable hydrogen production. Improved performance was evident in the HSOEC cell, achieving higher hydrogen production at a lower operating temperature compared to standard cells. Collaborations with multiple research facilities ensured scaling up of synthesis processes and milestone achievements for large-scale manufacturing. Assessment of contaminants revealed their adverse effects on electrode performance and structural stability. Contaminants like Cr and Si compounds, in high humidity, degraded electrodes by forming stable silicate and chromates, inhibiting active surface reactions. Getter materials showed promise in capturing contaminants, suggesting potential for mitigation.

08 HYDROGEN↗
DOE OSTI2023

Experimental Analysis of Distribution Network Voltage Regulation Using Smart Inverters: Preprint

Smart inverters (SI) have huge potential in providing grid services which has not been fully realized yet. One of these grid services, distribution network voltage regulation by SI, can improve the network voltage by regulating the SI reactive and active power output. Voltage regulation by SI is much faster compared to traditional voltage regulating devices, e.g. tap changing transformer, capacitor banks. However, there is gap in available published literature on the characteristics of SIs when the SI is controlled by local controller or external control signal. This paper presents the experimental study to characterize SI reactive power regulation response to two different control methods: autonomous control method and remote dispatch method. It was found that IS reactive power regulation response could be significantly different in terms of delay, and ramp rate for these two methods. Finally, Power-Hardware-in-The-Loop (PHIL) tests were conducted to evaluate the performance of these two methods. The PHIL tests results show that SI response characteristics for autonomous control method and remote dispatch method need to be considered during planning for distribution network voltage regulation using SI.

autonomous control↗
DOE OSTI2022

Matrix Multiply Performance of GPUs on Exascale-class HPE/Cray Systems

The computation of dense matrix-matrix products (GEMMs) is central to many modeling and simulation workloads as well as AI/ML deep learning campaigns. In fact, millions of dollars are spent annually on computing GEMMs, and large model training demands are increasing exponentially. Specialized processors such as GPUs are designed to perform well for these operations. However, the performance of GEMMs on GPUs can exhibit complex behaviors depending on many factors, making it challenging to optimize the performance of GEMMs on these processors. In this study we undertake an examination of GEMM performance on several leading GPU models taken from product lines of GPUs to be deployed in forthcoming exascale computing systems. We show results to illustrate the many factors that can affect performance of GEMMs on GPUs. We then present data collected from a large number of test runs for an example GEMM operation to show the dependence behaviors of GEMM rate on matrix dimensions. Finally, we show results from machine learning-based performance models using novel feature engineering methods to fit the measured performance, providing a potential basis for GEMM performance tuning and autotuning methods for GPUs. Recommendations are also given for how to achieve high GEMM performance on modern GPUs.

Melesse Vergara, Veronica↗
DOE OSTI2020

Superconducting nanowires as high-rate photon detectors in strong magnetic fields

Superconducting nanowire single photon detectors are capable of single-photon detection across a large spectral range, with near unity detection efficiency, picosecond timing jitter, and sub-10 µm position resolution at rates as high as 10 9 counts/s. In an effort to bring this technology into nuclear physics experiments, we fabricate Niobium Nitride nanowire detectors using novel material preparation methods and test their performance in strong magnetic fields. Furthermore, we demonstrate that these devices are capable of detection of 400 nm wavelength photons with saturated internal quantum efficiency at liquid helium temperatures and in magnetic fields potentially up to 8 T at high rates and with nearly zero dark counts.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

End-System Aware Peak Link Utilization Transport for Big Data Transfer over Dedicated Connections

High-performance networks provisioning 10/40-Gbps dedicated channels have been rapidly developed andincreasingly deployed to support big data transfers on the order of terabytes or petabytes in large-scale network-intensiveapplications. However, end users have not seen corresponding increase in application throughput mainly because traditional end-to-end transport methods are not optimized for such connections. New congestion or flow control mechanisms are desirable to meet the challenges brought to transport protocol design by dedicated connections. The advent and proliferation of multi-core processors make it now possible to improve application throughput by providing multiple processing and network resources to a single data transfer. Based on the existing PLUT method, we proposed a new dynamic buffer management scheme and an automatic parallelism tuning mechanism to achieve the maximal bottleneck rate. The performance superiority of PLUT is justified by the experimental results collected over a local 10Gbps dedicated connection.

Rao, Nageswara↗
DOE OSTI2022

Mitigation Methods for Piperazine Oxidation in Post-Combustion Carbon Capture

Piperazine is a promising second-generation solvent for amine scrubbing in post-combustion CO2 capture. However, the oxidative degradation of PZ can cause environmental problems and economic loss. This work presents the effects of two mitigation methods: carbon treating and N2 sparging, on the PZ oxidation in long-term operations. The species and their respective quantities adsorbed by the activated carbon were tested in a bench-scale device. The carbon was then tested in the High Temperature Oxidation Reactor (HTOR), where the solvent oxidizes at a reasonably fast rate. Pilot plant campaigns were also performed at the UT Austin SRP and the National Carbon Capture Center (NCCC) and the effects were verified. When dissolved Fe is removed by carbon treating or other methods, available soluble Fe in the system dissolves and replaces the dissolved Fe. Therefore, all available Fe and ligands need to be removed for the mitigation to be effective. The sources of soluble Fe include fly ash and the corrosion of stainless steel, and the ligands are degradation products. 8 All PZ degraded solvents have two absorbance peaks at 320 nm and 538 nm. The 320 nm peak is caused by dissolved metals, especially Fe, complexed by degradation products. The 320 nm peak is related to the amine degradation level and can be used as a simple and efficient method to estimate the amine degradation rate. The pilot plant data suggest that NO2 can oxidize PZ significantly, possibly through radical reactions. 0.01 mmol/kg-hr absorption of NO2 increased the PZ oxidation rate from 1.2 mmol/kg-hr to 2.5 mmol/kg-hr.

Yuying, Wu↗