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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 325 records · Page 18

Open-air spray deposition of PCBM/BCP electron transport layer for inverted perovskite solar cells

A [6,6]-phenyl C61 butyric acid methyl ester (PCBM) and bathocuproine (BCP) electron transport layer (ETL) is spray deposited in open air directly on top of a perovskite at linear speeds of 9 m/min. The PCBM precursor ink contains a binary mixture of 1:1 chlorobenzene:chloroform, which optimizes spray wettability on the perovskite surface and allows quick solvent evaporation. A near-infrared heating module additionally provides a flash cure (<5 s) for the formation of smooth, large-area PCBM films (∼20 cm 2 ). A BCP solution in isopropanol is subsequently sprayed to form an ultrathin (<5 nm) film and characterized with a suite of high-resolution metrologies. The spray-deposition processing and near-infrared treatment do not damage the underlying perovskite. Inverted architecture devices containing the sprayed ETL achieve a champion efficiency of 20.3% and demonstrate stable performance without additional interlayers or surface treatments. Here, the technoeconomic cost of the open-air spray process is compared against traditional vacuum-based evaporation, resulting in a decrease in manufacturing costs by 26%.

14 SOLAR ENERGY↗

A Three-Dimensional, Analytical Wind Turbine Wake Model: Flow Acceleration, Empirical Correlations, and Continuity

A new, three-dimensional, analytical, steady-state wake model is presented that includes local flow acceleration near the rotor, improving the wake description compared to existing models. Wake structures such as the momentum deficit and regions of accelerated flow are concisely described with compound and normal Gaussian functions. Large-eddy simulations (LES) are used as training data to develop the model using two in-line turbines under various inflow conditions parameterized by hub-height wind speed and turbulence intensity. Mass conservation is considered by fixing two components of the wake velocity model and optimizing the third to best satisfy continuity; after which, the model performs comparably if not better than existing work with regards to both relative error and mass consistency. The final model demonstrates a high degree of flexibility, making use of empirical correlations to scale across different inflow conditions. The inclusion of these effects is capable of revealing unused opportunities for enhanced power generation by aligning wake trajectories with these regions of accelerated flow.

modeling↗

Pareto Optimization of Oligomer Polarizability and Dipole Moment Using a Genetic Algorithm

High-performance electronic components are highly sought after in order to produce increasingly smaller and cheaper electronic devices. Drawing inspiration from inorganic dielectric materials, in which both polarizability and polarization contribute, organic materials can also maximize both. For a large set of small molecules drawn from PubChem, a Pareto-like front appears between the polarizability and dipole moment, indicating the presence of an apparent trade-off between these two properties. We tested this balance in π-conjugated materials by searching for novel conjugated hexamers with simultaneously large polar- izabilities and dipole moments with potential use for dielectric materials. Using a genetic algorithm (GA) screening technique in conjunction with an approximate density functional tight-binding method for property calculations, we were able to efficiently search chemical space for optimal hexamers. Given the scope of chemical space, using the GA technique saves considerable time and resources by speeding up molecular searches compared to a systematic search. Here, we also explored the underlying structure–function relationships, including sequence and monomer properties, that characterize large polarizability and dipole moment regimes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Microstructural and Hall–Petch Analysis of Additively Manufactured Ferritic Alloy Using 2507 Duplex Stainless Steel Powder

The powder bed fusion–laser beam (PBF-LB) process, a method of additive manufacturing (AM), was used to print duplex stainless steel (DSS) using commercial-grade 2507 powders. While conventionally processed DSS has a two-phase microstructure consisting of 50% austenite and 50% ferrite, the PBF-LB-printed 2507 alloy was nearly 100% ferrite. Optimal processing conditions that minimized porosity were determined to be 290 W laser power and 1000 mm/s scan speed, and grain size, texture, and phases were characterized as a function of laser power and scan speed. Grain size increased with increasing laser power but decreased with increasing scan speed. A <100> texture diminished with increasing scan speed from 1000 mm/s to 1400 mm/s. No austenite phase was detected. Transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM) characterization revealed nanoscale chromium nitride precipitates in the ferritic matrix (incoherent hexagonal close-packed (HCP) precipitates at grain boundaries and coherent body-centered cubic (BCC) precipitates within the grains) and a high density of tangled dislocations. Tensile tests of as-printed alloys showed a yield strength of 570 MPa, an ultimate tensile strength of 756 MPa, and an elongation to failure of 10%. The tensile properties were analyzed based on the observed microstructure considering grain size, nanoscale precipitates, and the high density of dislocations.

Crystallography↗

An Unobstructive Sensing Method for Indoor Air Quality Optimization and Metabolic Assessment within Vehicles

This work investigates the use of an intelligent and unobstructive sensing technique for maintaining vehicle cabin’s indoor air quality while simultaneously assessing the driver metabolic rate. CO 2 accumulation patterns are of great interest because CO 2 can have negative cognitive effects at higher concentrations and also since CO 2 accumulation rate can potentially be used to determine a person’s metabolic rate. The management of the vehicle’s ventilation system was controlled by periodically alternating the air recirculation mode within the cabin, which was actuated based on the CO 2 levels inside the vehicle’s cabin. The CO 2 accumulation periods were used to assess the driver’s metabolic rate, using a model that considered the vehicle’s air exchange rate. In the process of the method optimization, it was found that the vehicle’s air exchange rate (λ [h –1 ]) depends on the vehicle speeds, following the relationship: λ = 0.060 × (speed) – 0.88 when driving faster than 17 MPH. An accuracy level of 95% was found between the new method to assess the driver’s metabolic rate (1620 ± 140 kcal/day) and the reference method of indirect calorimetry (1550 ± 150 kcal/day) for a total of N = 16 metabolic assessments at various vehicle speeds. The new sensing method represents a novel approach for unobstructive assessment of driver metabolic rate while maintaining indoor air quality within the vehicle cabin.

passive sensing↗

Light Duty Engine Performance Characteristics with Dimethyl Ether and Propane

Here, this paper explores the performance characteristics of a compression ignition HYUNDAI 2.2L engine operating with Dimethyl Ether (DME). Test are carried out at three operating conditions that weigh heavily in the FTP75 certification cycle (1000rpm-12Nm, 1500rpm-50Nm, 2000rpm-100Nm). The engine features a high-pressure common rail fuel injection system designed to operate with liquified gases. The main component of the fuel system is a high-pressure pump that incorporates an electronic inlet metering valve commanded on a crank-angle base to control the rail pressure. The pump, which requires no pressure regulator, provides the flow needed to the injectors without flow returning to the inlet. This novel fueling system is leveraged in tests that are conducted to examine the impact of EGR, combustion phasing, injection pressure on efficiency and emissions. In addition, the impact of introducing 15% Propane by mass is examined. During the tests, the engine ECU is aided by an Engine Controller High Speed Oversight unit (ECHO) to provide combustion phasing control, improved cylinder-to-cylinder uniformity, and an effective optimization over the testing effort. The use of DME and Propane allowed for peak thermal efficiency of nearly 43%. These fuels enable significant carbon index (CI) reductions over the baseline Diesel fuel, with indications that 50% reduction in CO 2 over the Diesel engine are possible.

33 ADVANCED PROPULSION SYSTEMS↗

Machine-Learning-Driven, Site-Specific Weather Forecasting for Grid-Interactive Efficient Buildings: Preprint

Emerging grid-interactive efficient buildings (GEBs) have great potential to provide much-needed demand flexibility to electric grids while fulfilling their own control targets by co-optimizing smart appliances, solar photovoltaics, electric vehicles, and energy storage at buildings. To enable the optimal operation of GEBs, site-specific weather information—such as temperature, solar irradiance, relative humidity, and wind speed—is crucial; however, this information is generally unavailable or expensive to obtain. This paper develops advanced machine learning methods to provide precise weather forecasts for individual building sites using readily available weather station data. Support vector regression and artificial neural networks have been employed to learn the spatiotemporal correlations between the weather conditions at nearby weather stations and the individual building site. The proposed site-specific weather forecasting methods have been validated using 1-year actual weather measurement data collected in the Denver metro area. Results show that the developed machine-learning-driven methods can accurately forecast the temperature at the target building site 1 hour ahead with mean absolute error less than 0.72°C and a 48% improvement over the persistence method. Site-specific weather forecasts will improve the understanding of the microclimate effect and its impact on building energy consumption. This information will drive efficiency upgrades and adjustments of building control strategies to improve energy savings and increase flexibility in building loads.

30 DIRECT ENERGY CONVERSION↗

GPS-Based Gamma Survey for Characterizing and Decommissioning NORM Sites - 20389

Gamma survey techniques are an especially powerful decommissioning tool at naturally occurring radioactive material (NORM) sites due to both the low cost to obtain data over a large spatial scale and the abundance of gamma emitters in the uranium and thorium decay series. Gamma surveys are executed by coupling a detector - most often a sodium iodide crystal - to a global positioning system (GPS), then reporting a location and gross gamma reading coincidentally to a data logger. Systems may be carried by workers or mounted to a car, all-terrain vehicle, or unmanned aerial system (UAS). The resulting data set provides a high-resolution but low precision map of the gamma radiation field over the area surveyed. Frequently this map is also correlated to soil concentrations of NORM radionuclides (most often, Ra-226) and/or exposure rate. Gamma survey parameters such as movement speed, transect spacing, and data logging frequency define the spatial resolution of the resulting surface, and can be optimized depending on the desired survey sensitivity. This paper examines gamma survey as a tool for decommissioning NORM sites and provides an overview of current gamma survey technology designed to improve the efficiency and effectiveness of the decommissioning process. Topics to be discussed in the paper include: - An overview of gamma survey systems, and the utility of different delivery vehicles depending on desired cost, desired spatial resolution, and site topography. - The influence of physical detector characteristics on detection sensitivity and survey planning. - The tradeoff between high-resolution and large spatial extent, but inherently uncertain data, and low-resolution, low spatial extent, but highly certain data, as well as the specific utility of each of these types of data during NORM facility decommissioning. - Confounding variables that may limit the utility of gamma survey at some sites (e.g., radon gas and spatial heterogeneity / hot spots), and methods to plan for and control these conditions. Results show that the confounding variables, such as radon and data output can greatly influence the overall data quality associated with the decommissioning process. In addition, the use of real-time and aerial survey platforms provides a method for ensuring proper spatial extent of the data. When applied thoughtfully, gamma survey is a powerful tool for detecting NORM radionuclides in the environment and a cost-effective technique for identifying areas requiring remediation. However, entities performing or using gamma survey as a decommissioning tool must be aware of both its advantages and its limitations before basing remediation or regulatory action on gamma survey results. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Efficient and choreographed quality-of- service management in dense 6G verticals with high-speed mobility requirements

Future 6G networks are envisioned to support very heterogeneous and extreme applications (known as verticals). Some examples are further-enhanced mobile broadband communications, where bitrates could go above one terabit per second, or extremely reliable and low-latency communications, whose end-to-end delay must be below one hundred microseconds. To achieve that ultra-high Quality-of-Service, 6G networks are commonly provided with redundant resources and intelligent management mechanisms to ensure that all devices get the expected performance. But this approach is not feasible or scalable for all verticals. Specifically, in 6G scenarios, mobile devices are expected to have speeds greater than 500 kilometers per hour, and device density will exceed ten million devices per square kilometer. In those verticals, resources cannot be redundant as, because of such a huge number of devices, Quality-of-Service requirements are pushing the effective performance of technologies at physical level. And, on the other hand, high-speed mobility prevents intelligent mechanisms to be useful, as devices move around and evolve faster than the usual convergence time of those intelligent solutions. New technologies are needed to fill this unexplored gap. Therefore, in this paper we propose a choreographed Quality-of-Service management solution, where 6G base stations predict the evolution of verticals at real-time, and run a lightweight distributed optimization algorithm in advance, so they can manage the resource consumption and ensure all devices get the required Quality-of-Service. Prediction mechanism includes mobility models (Markov, Bayesian, etc.) and models for time-variant communication channels. Besides, a traffic prediction solution is also considered to explore the achieved Quality-of-Service in advance. The optimization algorithm calculates an efficient resource distribution according to the predicted future vertical situation, so devices achieve the expected Quality-of-Service according to the proposed traffic models. An experimental validation based on simulation tools is also provided. Results show that the proposed approach reduces up to 12% of the network resource consumption for a given Quality-of-Service.

42 ENGINEERING↗

Development of a Multi-physics Model to Optimize Continuous Liquid Interface Production (CLIP) for Additive Manufacturing (Carbon3D HPC4Mfg Final Report)

Continuous Liquid Interface Production (CLIP) is poised to bring additive manufacturing to multiple American manufacturing sectors owing to its unique combination of rapid print speeds and material options that resemble injection molding thermoplastics. In spite of these benefits, CLIP is still a maturing process. To improve our understanding and control of the process, this project developed a multi-physics computational model that encompasses the coupled chemical-physical processes of photopolymerization and fluid flow to predict part outcomes. A physically predictive model can enable rapid optimization of CLIP and reduce the current cycle time and waste associated with optimization by four-fold. Ultimately, this effort will help open the U.S. $400B plastic manufacturing industry to the key benefits of additive manufacturing, namely mass customization, unlimited design space, and a cost- and energy-effective path to mainstream manufacturing. In the course of the project we produced a model which coupled fluid-flow, species transport, and photochemistry to model the Carbon CLIP process. As the development proceeded, we validated the code against theory and experiments. The resulting code was transferred to Carbon, and we expect it to be a useful part of their modeling capability. Future work includes improvements to the fluid solver’s robustness and performance, along with the addition of additional physics models.

36 MATERIALS SCIENCE↗

Machine Learning-Driven Conservative-to-Primitive Conversion in Hybrid Piecewise Polytropic and Tabulated Equations of State

We present a novel machine learning (ML)-based method to accelerate conservative-to-primitive inversion, focusing on hybrid piecewise polytropic and tabulated equations of state. Traditional root-finding techniques are computationally expensive, particularly for large-scale relativistic hydrodynamics simulations. To address this, we employ feedforward neural networks (NNC2PS and NNC2PL), trained in PyTorch (2.0+) and optimized for GPU inference using NVIDIA TensorRT (8.4.1), achieving significant speedups with minimal accuracy loss. The NNC2PS model achieves 𝐿 1 and 𝐿 ∞ errors of 4.54 × 10 −7 and 3.44 × 10−6, respectively, while the NNC2PL model exhibits even lower error values. TensorRT optimization with mixed-precision deployment substantially accelerates performance compared to traditional root-finding methods. Specifically, the mixed-precision TensorRT engine for NNC2PS achieves inference speeds approximately 400 times faster than a traditional single-threaded CPU implementation for a dataset size of 1,000,000 points. Ideal parallelization across an entire compute node in the Delta supercomputer (dual AMD 64-core 2.45 GHz Milan processors and 8 NVIDIA A100 GPUs with 40 GB HBM2 RAM and NVLink) predicts a 25-fold speedup for TensorRT over an optimally parallelized numerical method when processing 8 million data points. Moreover, the ML method exhibits sub-linear scaling with increasing dataset sizes. We release the scientific software developed, enabling further validation and extension of our findings. By exploiting the underlying symmetries within the equation of state, these findings highlight the potential of ML, combined with GPU optimization and model quantization, to accelerate conservative-to-primitive inversion in relativistic hydrodynamics simulations.

conservative-to-primitive conversion↗

State preparation of lattice field theories using quantum optimal control

Here, we explore the application of quantum optimal control (QOC) techniques to state preparation of lattice field theories on quantum computers. As a first example, we focus on the Schwinger model, quantum electrodynamics in 1+1 dimensions. We demonstrate that QOC can significantly speed up the ground state preparation compared to gate-based methods, even for models with long-range interactions. Using classical simulations, we explore the dependence on the interqubit coupling strength and the device connectivity, and we study the optimization in the presence of noise. While our simulations indicate potential speedups, the results strongly depend on the device specifications. In addition, we perform exploratory studies on the preparation of thermal states. Our results motivate further studies of QOC techniques in the context of quantum simulations for fundamental physics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Sucrose transport inside the phloem: Bridging hydrodynamics and geometric characteristics

In plants, the delivery of the products of photosynthesis is achieved through a hydraulic system labeled as phloem. This semi-permeable plant tissue consists of living cells that contract and expand in response to fluid pressure and flow velocity fluctuations. The Münch pressure flow theory, which is based on osmosis providing the necessary pressure gradient to drive the mass flow of carbohydrates, is currently the most accepted model for such sucrose transport. When this hypothesis is combined with the conservation of fluid mass and momentum as well as sucrose mass, many simplifications must be invoked to mathematically close the problem and to resolve the flow. Here this study revisits such osmotically driven flows by developing a new two-dimensional numerical model in cylindrical coordinates for an elastic membrane and a concentration-dependent viscosity. It is demonstrated that the interaction between the hydrodynamic and externally supplied geometrical characteristic of the phloem has a significant effect on the front speed of sucrose transport. These results offer a novel perspective about the evolutionary adaptation of plant hydraulic traits to optimize phloem soluble compounds transport efficiency.

59 BASIC BIOLOGICAL SCIENCES↗

Offline Arterial Signal Timing Optimization for Closely Spaced Intersections

The stop-and-go driving behavior at a busy arterial causes a significant amount of fuel waste and emissions that could be reduced. For closely spaced intersections, the traditional bottom-up signal timing approach could fail under high volumes when the queues reach the upstream intersections. A well-coordinated arterial should manage the queue length to prevent the control from failing. Traditionally, coordination among signalized intersections for an arterial means finding the good offsets for each intersection. The control of the intersections along an arterial can also be coordinated by optimizing splits. Splits impact the capacity of an intersection. Similar to the highway, the capacity drop could cause growing queues. This work is based on the Virtual Phase-Link (VPL) model, a street traffic model designed for online traffic model predictive control, to obtain a top-down offline arterial signal timing. The VPL-based model can guarantee capacity consistency in intersections along an arterial. We, therefore, adopted the VPL-based model and developed an offline signal timing optimization approach. The proposed timing derived from the VPL-based offline signal timing optimization showed very good results in simulation. We also collected field experiment data, which demonstrated overall energy reductions and speed improvements on some sections of the study arterial.

47 OTHER INSTRUMENTATION↗

Thermal Management System of an Outer-Rotor-Motor-Based Traction Drive With Integrated Power Electronics in its Central Cavity

Increasing power densities of electric vehicle traction drive systems necessitates combining the electric motor and the power electronics into one unit. A compact, integrated traction drive unit with fewer components also drives production costs down, enabling wider adoption of electric vehicles. However, the integration of power electronics in the electric machine is associated with challenges of designing an effective thermal management solution for the combined traction drive system. This paper focuses on the thermal management approach selected for Oak Ridge National Laboratory’s outer-rotor-motor-based integrated traction drive and evaluates its potential performance. The outer-rotor-motor configuration provided an opportunity for integration of the six-phase inverter in the available space in the central cavity of the internal stator. A cylindrical inverter enclosure with integrated coolant (water-ethylene glycol) channels in its walls was designed to enable heat removal from the power electronics. Numerical thermal-fluid modeling and initial channel/fin optimization results for the cylindrical heat sink are presented here. As permanent magnets are integrated in a high-speed (20 000 RPM) outer rotor, forced air convection provides cooling for the magnets. The magnets were segmented axially to mitigate the eddy current losses. Heat generated in the stator windings and laminations is removed by water-ethylene glycol coolant circulating in interpolar T-shape ceramic heat exchangers inserted between windings. General design concepts and numerical thermal-fluid simulations illustrating the electric motor thermal management solution are also presented.

Kekelia, Bidzina↗

LightMAT - Continuous fiber malleable thermoset composites with sub-1-minute dwell times; validation of impact performance and evaluation of the efficacy of the compression forming process (CRADA 409 Final Report)

In spite of carbon fiber composite materials’ significant impact on light-weighting, performance, and efficiency in the aerospace industry, adoption of these materials has been slow in high-volume industries such as automotive. Two major barriers to adoption are cost and cycle-time. Current approaches to thermoset composite part production are dependent on in-mold curing of thermosets which are not optimal for high volume, high throughput production due to limitations and inefficiencies associated with the in-mold cure itself. In addition, ancillary activities, such as transport and storage of shelf-life-limited uncured, or B-staged prepreg materials typically necessitate refrigerated transport and storage which significantly impacts the economic and energy costs associated with manufacturing. Furthermore, limited out-life means that trimmings cannot typically be used as they partially cure during initial production leading to high scrap rates (+20% is common). Finally, the need to cure in-mold drives cycle times to multiple minutes in the best cases, and 10’s of minutes to hours in most cases. Mallinda is developing polyimine malleable thermoset prepreg composite materials which have excellent mechanical properties (100 GPa tensile modulus, 2 GPA tensile strength, 2.4% elongation at break) and high operating temperatures (Tg>200°C). At scale, polyimine resins are commensurate in price with commodity epoxy resins. What distinguishes malleable thermoset prepreg from traditional thermoset prepreg materials, is that they are fully cured during Mallinda’s roll-to-roll production of prepreg laminate. This results in 5 key value-differentiating benefits. First, it simplifies manufacturing logistics by enabling ambient transportation and storage, and by significantly extending out-life and shelf-life almost indefinitely. Second, elimination of autoclave curing reduces the economic and energy costs to the customer. Third, scrap rates can be reduced as malleable thermoset prepreg materials are directly reusable. Fourth, the manufacturing consolidation step can be roughly 10x faster than traditional thermosets, because the resin is already cured. Parts can be made via compression forming by the application of heat and pressure to quickly vitrify and consolidate a multilayer part – easily leading to sub 3-minute cycle times (at lab scale we have demonstrated a 20 second dwell time, with room for further optimization). Finally, the closed-loop cradle-to-cradle solution-based recyclability of malleable thermoset composites can also contribute significantly to the future of sustainable lightweight materials. The focus of this project was the development, optimization and validation of malleable thermoset composite materials which exhibit manufacturing cycle times of 3-minute or less, high speed impact performance on par with incumbent technologies, and defect-free consolidation of 3 dimensional parts. Government funding is required on this project because Mallinda is a start-up company whose focus is the development and scale-up of the described technology for introduction to the transportation segment. Unlike incumbent industry players, Mallinda is bringing a completely new and highly relevant malleable thermoset technology to bear on the problem of high throughput composites. As a small business, Mallinda relies on a combination of government R&D funding and private capital to perform development work.

36 MATERIALS SCIENCE↗

Continuous fiber malleable thermoset composites with sub-1-minute dwell times; validation of impact performance and evaluation of the efficacy of the compression forming process. CRADA Final Report

Mallinda is developing polyimine malleable thermoset prepreg composite materials which have excellent mechanical properties (100 GPa tensile modulus, 2 GPA tensile strength, 2.4% elongation at break) and high operating temperatures (Tg>200°C). At scale, polyimine resins are commensurate in price with commodity epoxy resins. What distinguishes malleable thermoset prepreg from traditional thermoset prepreg materials, is that they are fully cured during Mallinda’s roll-to-roll production of prepreg laminate. This results in 5 key value-differentiating benefits. First, it simplifies manufacturing logistics by enabling ambient transportation and storage, and by significantly extending out-life and shelf-life almost indefinitely. Second, elimination of autoclave curing reduces the economic and energy costs to the customer. Third, scrap rates can be reduced as malleable thermoset prepreg materials are directly reusable. Fourth, the manufacturing consolidation step can be roughly 10x faster than traditional thermosets, because the resin is already cured. Parts can be made via compression forming by the application of heat and pressure to quickly vitrify and consolidate a multilayer part – easily leading to sub 3-minute cycle times (at lab scale we have demonstrated a 20 second dwell time, with room for further optimization). Finally, the closed-loop cradle-to-cradle solution-based recyclability of malleable thermoset composites can also contribute significantly to the future of sustainable lightweight materials. The focus of this project was the development, optimization and validation of malleable thermoset composite materials which exhibit manufacturing cycle times of 3-minute or less, high speed impact performance on par with incumbent technologies, and defect-free consolidation of 3 dimensional parts.

36 MATERIALS SCIENCE↗