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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 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Adsorption-based direct air capture using hierarchical porous composites prepared via confined-space crystallization

Capturing CO₂ at trace concentration remains a critical challenge in sustainable carbon management via adsorption, as conventional adsorbents suffer from low CO₂ selectivity, poor moisture tolerance, and energy-intensive regeneration requirements. Here, we report a hierarchical Ba²⁺-exchanged silicoaluminophosphate (Ba²⁺-CSAPO-34) composite synthesized via confined-space crystallization within an activated carbon matrix. Comprehensive characterization revealed a confined nucleation mechanism and the successful incorporation of Ba²⁺ active sites within the SAPO-34 framework, achieved via a two-step liquid ion-exchange protocol. The core-shell architecture combines the selective CO₂ binding of Ba²⁺-functionalized SAPO-34 with the hydrophobic protection of the carbon shell. Fixed-bed adsorption tests demonstrated strong CO₂ binding (at 500-2500 ppm), no roll-up, and effective suppression of water affinity, while maintaining high selectivity even at 90% relative humidity. A phenomenological adsorption model, validated against dynamic breakthrough data, accurately predicted dynamic adsorption behavior under real-world operating conditions, enabling rational process design for direct air capture (DAC) and closed-loop life support systems. Furthermore, these results establish Ba²⁺-CSAPO-34 as a scalable, moisture-resistant adsorbent that addresses key limitations in trace CO₂ capture, advancing practical implementation of carbon removal technologies.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

A mesoscale 3D model of irradiated concrete informed via a 2.5 U-Net semantic segmentation

The concrete biological shield in light-water reactors is exposed to neutron and gamma irradiation, which deteriorates the concrete’s mechanical properties in the long term. To assess the irradiation-induced damage, predictive mechanical models are developed and used in parallel with the characterization of irradiated concrete samples. Realistic 3D simulation domains can drastically improve a model’s prediction. In this work, we utilized x-ray computed tomography (XCT) data of a concrete specimen to reconstruct its 3D microstructure. The XCT data shows low contrast between the concrete’s aggregates and cement paste, resulting in poor image segmentation when using traditional unsupervised techniques. To address this issue, we developed and trained a 2.5D U-Net model on only 24 pre-labeled XCT layers to segment 651 layers of the XCT data. The overall F1-score of the model is approximately 96%. Then, we created a 3D finite element (FE) mesh based on the stack of segmented images. The FE model contains radiation-induced expansion, damage, and creep. The constitutive equations are adapted to each phase (aggregates and cement paste). Here, we simulated the effects of neutron irradiation in the concrete specimen as well as the specimen’s mechanical response to uniaxial compression. Finally, model validation was performed using experimental data on similar concrete specimens in the literature.

2.5D U-Net↗
DOE OSTI2019

Comments on “Comparison of energy consumption in desalination by capacitive deionization and reverse osmosis”

Capacitive deionization (CDI) is an emerging brackish water desalination technology in which ions are removed from water by electrostatically adsorbing them onto porous electrodes. Recently, Qin et al. presented an estimate of energy consumption for CDI schemes, and compared the energy consumption of CDI to the energy consumption of a particular reverse osmosis operation scheme which they propose. Qin et al. estimate very high values of energy consumption in CDI for brackish water desalination (e.g. ~1 to 2 g/L salt solution), and these values and trends do not agree with published experiments for CDI or with experimentally validated models for CDI. The current comment identifies important scaling errors and incorrect values in their model resistance parameters, and then discusses unphysical trends predicted by their model. We do not attempt provide a comprehensive review of their model, operation, estimates, and figures, but rather concentrate on several key issues. We present our comments in two sections dealing with resistances and energy metrics, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Evaluation of hybrid evaporative-vapor compression air conditioners for different global climates

Currently, a majority of global residential air-conditioning requirements are met using cooling systems based on the vapor compression cycle (VCC). To meet the future demand for space cooling and to reduce the corresponding environmental impact, there is a need for alternative cooling systems which require less resources and exhibit a higher coefficient of performance (COP). One of proposed alternatives is called the hybrid evaporative-vapor compression (HEVC) cycle, which utilizes adiabatic latent cooling in combination with the VCC. In this paper, we conducted a feasibility analysis of a HEVC system by comparing its performance to that of VCC for various global climates. To accomplish this, we developed and validated models to simulate the performance of residential VCC and HEVC systems. ASHRAE weather data and design conditions were then used to compare the performance of the two systems. In general, HEVC systems are best suited for hot arid climates with energy reduction greater than 20%. Conversely, humid climates are not suitable for HEVC adoption due to degraded performance of evaporative coolers in these climates. In addition to comparing the energy savings from HEVC systems, it is also critical to analyze their water consumption. Generally, climates that benefit the most from HEVC technology tend to also experience water scarcity issues. Thus, both the energy savings and water consumption of HEVC systems must be analyzed to guide the discussion on their adoption.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

A direct contact cooler design for simultaneously recovering latent heat and capturing SO x and NO x from pressurized flue gas

Integrated SO x and NO x removal technology using a direct contact cooler is a promising alternative for cleaning coal combustion flue gas, especially for pressurized combustion systems. Past investigations of integrated SO x and NO x removal have been limited to low-temperature processes, where the flue gas has been cooled upstream of the removal unit, and the moisture in the flue gas has been condensed out. Here this work presents a novel design that recovers the flue gas heat while simultaneously removing SO x and NO x in a single reactive-absorption column – direct contact cooler. A validated model was used to evaluate different direct contact cooler designs. Modeling results suggested that a counter-current column with a single water inlet can scrub 83% of the NO x and 96.5% of the SO x in 115 s, while an optimized design with multiple water inlets enhances the scrubbing of NO x by 9 percentage points and SO x by 3.5 percentage points, due to a 34% increase in residence time. It is also observed that the liquid-phase reaction between absorbed SO x and NO x plays a significant role in the removal of SO 2 from the flue gas for high-temperature scrubbing compared with low-temperature scrubbing. The design reinforces the potential of high-temperature SO x -NO x removal and heat recovery and suggests a means of reducing capital costs for such columns.

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

Air compressor load forecasting using artificial neural network

Air compressor systems are responsible for approximately 10% of the electricity consumed in United States and European Union industry. As many researches have proven the effectiveness of using Artificial Neural Network inair compressor performance prediction, there is still a need to forecast the air compressor electrical load profile. The objective of this study is to predict compressed air systems’ electrical load profile, which is valuable to industry practitioners as well as software providers in developing better practice and tools for load managementand look-ahead scheduling programs. Two artificial neural networks, Two-Layer Feed-Forward Neural Networkand Long Short-Term Memory were used to predict an air compressors electrical load. Compressors with three different control mechanisms are evaluated with a total number of 11,874 observations. Here, the forecasts were validated using out-of-sample datasets with 5-fold cross-validation. Models produced average coefficient ofdetermination values from 0.24 to 0.94, average root-mean-square errors from 0.05 kW - 5.83 kW, and meanabsolute scaled errors from 0.20 to 1.33. The results indicate that both artificial neural networks yield goodresults for compressors using variable speed drive (average R 2 = 0.8 and no naïve forecasting), only the longshort-term memory model gives acceptable results for compressors using on/off control (average R 2 = 0.82 and no naïve forecasting), and no satisfactory results are obtained for load/unload type air compressors (models constituting active forecasting).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2017

Modeling forest site productivity using mapped geospatial attributes within a South Carolina Landscape, USA

Spatially explicit mapping of forest productivity is important to assess many forest management alternatives. We assessed the relationship between mapped variables and site index of forests ranging from southern pine plantations to natural hardwoods on a 74,000-ha landscape in South Carolina, USA. Mapped features used in the analysis were soil association, land use condition in 1951, depth to groundwater, slope and aspect. Basal area, species composition, age and height were the tree variables measured. Linear modelling identified that plot basal area, depth to groundwater, soils association and the interactions between depth to groundwater and forest group, and between land use in 1951 and forest group were related to site index (SI) (R 2 =0.37), but this model had regression attenuation. We then used structural equation modeling to incorporate error-in-measurement corrections for basal area and groundwater to remove bias in the model. We validated this model using 89 independent observations and found the 95% confidence intervals for the slope and intercept of an observed vs. predicted site index error-corrected regression included zero and one, respectively, indicating a good fit. With error in measurement incorporated, only basal area, soil association, and the interaction between forest groups and land use were important predictors (R2 =0.57). Thus, we were able to develop an unbiased model of SI that could be applied to create a spatially explicit map based primarily on soils as modified by past (land use and forest type) and recent forest management (basal area).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Numerical analysis of soot emissions from gasoline-ethanol and gasoline-butanol blends under gasoline compression ignition conditions

In the present work, computational fluid dynamics (CFD) simulations of a single-cylinder gasoline compression ignition (GCI) engine were performed to investigate the impact of blending two biofuels, ethanol and n-butanol, with gasoline on the trade-off between combustion phasing and soot emissions under low load conditions. Here, in order to represent market gasoline (RD5-87), a four-component toluene primary reference fuel (TPRF) + ethanol (ETPRF) surrogate (with 20% ethanol by mole; E20) was formulated using a neural network based octane predictor such that the surrogate had the same ethanol content, Research Octane Number (RON) and Octane Sensitivity (S). In addition, a novel skeletal kinetic mechanism for ETPRF and TPRF + n-butanol (BTPRF) blends, incorporating polycyclic aromatic hydrocarbon (PAH) chemistry, was developed. A three-dimensional (3D) engine CFD formulation employing the skeletal mechanism, adaptive mesh refinement (AMR), finite-rate chemistry approach, and hybrid method of moments (HMOM) was adopted to capture the in-cylinder combustion phenomena and soot emissions. The engine CFD model was validated against RD5-87 experimental data for a broad range of start-of-injection (SOI) timings (-21/-27/-36/-45 crank angle degrees (CAD) after top-dead center (aTDC)), with respect to in-cylinder pressure, heat release rate, combustion phasing, and soot emissions. The closed-cycle simulation results were analyzed to elucidate the non-monotonic trend of soot emissions versus SOI timing: SOI-36 > SOI-45 > SOI-21 > SOI-27. Thereafter, the validated CFD model was employed to simulate the combustion of a gasoline-ethanol blend with 45% (by mole) ethanol (E45) and a gasoline-butanol blend with 45% (by mole) n-butanol (B45) under the same operating conditions to study the effects of fuel composition and SOI timing on combustion phasing and soot emissions. The sooting propensity followed the trend: B45 > E20 > E45 at all SOI timings. Overall, it was observed that the autoignition propensity was primarily related to fuel chemistry. On the other hand, sooting propensity showed strong coupling with both fuel chemistry and physical properties, with greater impact of fuel physical properties at advanced SOI timings.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

A computational parametric study of ducted fuel injection implementation in a heavy-duty diesel engine

Experiments have shown that ducted fuel injection (DFI) effectively reduces soot emissions from direct-injection diesel engines. Although many computational studies have evaluated DFI’s spray development and soot reduction mechanisms in constant volume chambers, only limited computational work on internal combustion engines exists. The DFI duct assembly changes the engine’s in-cylinder flow, spray, and combustion development. Therefore, current production engine designs might not be optimal for achieving the best engine performance with DFI. Here, this work conducted an extensive numerical study to evaluate how parameter changes affect DFI performance. The parameters include swirl ratio, piston geometry, compression ratio (CR), number of injector orifices, split injection strategy, and exhaust gas recirculation (EGR) in a heavy-duty diesel engine utilizing DFI. The combustion and soot emission data from the Sandia compression ignition optical research engine were used for model validation. Simulations showed that an increased swirl ratio resulted in more intense jet flame-piston interaction, slowing down the combustion heat release during the late combustion stage and leading to lower indicated thermal efficiency (ITE) due to higher exhaust losses. A piston-bowl design with a reentrant inner piston edge yielded the highest thermal efficiency, due to the reduced cylinder head heat transfer loss. Additional injector orifices led to higher efficiency owing to a more advanced combustion phasing. Nevertheless, the maximum pressure rise rate (MPRR) and oxides of nitrogen (NO x ) emissions also increased with the number of injector orifices due to more rapid heat release and higher combustion temperature. Implementation of a split injection strategy combined with a higher EGR rate effectively inhibited the excessive MPRR and NO x formation. In general, the study concluded that DFI is not sensitive to most parameter changes but will benefit from future parameter optimization.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Double cylinder implosion experiments at the National Ignition Facility

Here, cylindrical implosion experiments are used to directly measure instability growth in a convergent geometry, providing a wealth of data for model validation. Double cylinders are a natural extension of the platform and enable measurements at a classically unstable interface, the outer surface of the inner cylinder, which experiences no ablative stabilization from the laser drive. However, the utility of this platform relies upon maintaining adequate axial uniformity of the inner cylinder during the implosion. Although previous smaller-scale double cylinder experiments exhibited acceptable levels of axial uniformity, radiation-hydrodynamics simulations of larger-scale double cylinders predict more axial non-uniformity induced by the impedance mismatch as the shock wraps around the axial ends of the inner cylinder. A mechanism to reduce axial non-uniformity in these larger double cylinder implosions is presented, and preliminary experimental data confirms the efficacy of the selected mitigation approach.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Dispersion of cryogenic hydrogen through high-aspect ratio nozzles

Liquid hydrogen is increasingly being used as a delivery and storage medium for stations that provide compressed gaseous hydrogen for fuel cell electric vehicles. In efforts to provide scientific justification for separation distances for liquid hydrogen infrastructure in fire codes, the dispersion characteristics of cryogenic hydrogen jets (50–64 K) from high aspect ratio nozzles have been measured at 3 and 5 bar abs stagnation pressures. These nozzles are more characteristic of unintended leaks, which would be expected to be cracks, rather than conventional round nozzles. Spontaneous Raman scattering was used to measure the concentration and temperature field along the major and minor axes. Within the field of interrogation, the axis-switching phenomena was not observed, but rather a self-similar Gaussian-profile flow regime similar to room temperature or cryogenic hydrogen releases through round nozzles. The concentration decay rate and half-widths for the planar cryogenic jets were found to be nominally equivalent to that of round nozzle cryogenic hydrogen jets indicating a similar flammable envelope. The results from these experiments will be used to validate models for cryogenic hydrogen dispersion that will be used for simulations of alternative scenarios and quantitative risk assessment.

08 HYDROGEN↗
DOE OSTI2021

3D optical diagnostics for explosively driven deformation and fragmentation

High-speed, optical imaging diagnostics are presented for three-dimensional (3D) quantification of explosively driven metal fragmentation. At early times after detonation, Digital Image Correlation (DIC) provides non-contact measures of 3D case velocities, strains, and strain rates, while a proposed stereo imaging configuration quantifies in-flight fragment masses and velocities at later times. Experiments are performed using commercially obtained RP-80 detonators from Teledyne RISI, which are shown to create a reproducible fragment field at the benchtop scale. DIC measurements are compared with 3D simulations, which have been ‘leveled’ to match the spatial resolution of DIC. Overall, results demonstrate improved ability to identify predicted quantities-of-interest that fall outside of measurement uncertainty and shot-to-shot variability. Similarly, video measures of fragment trajectories and masses allow rapid experimental repetition and provide correlated fragment size-velocity measurements. Measured and simulated fragment mass distributions are shown to agree within confidence bounds, while some statistically meaningful differences are observed between the measured and predicted conditionally averaged fragment velocities. Together these techniques demonstrate new opportunities to improve future model validation.

42 ENGINEERING↗
DOE OSTI2022

Dry in-pile fracture test (DRIFT) for separate-effects validation of ceramic fuel fracture models

Fracture is an important component of nuclear fuel behavior, and significant efforts have been invested into developing fuel performance models that are capable of accurately representing fracture. Usable data on the process of fracture propagation in nuclear fuel under realistic service conditions are very limited. To address this need, a series of separate-effects experiments were developed and performed at Idaho National Laboratory's Transient Reactor Test (TREAT) facility. These experiments employ a heat sink to radially remove heat from the fuel in a manner that approximates the effect of coolant in an operating light-water reactor (LWR). The test holder for these experiments is known as the Dry In-pile Fracture Test (DRIFT). A series of experiments employing DRIFT and TREAT were performed to provide data on the extent and nature of fracture in fresh fuel at various points during a ramp to full power. Novel aspects of these experiments include the way they employ a heat sink to replicate steady-state LWR conditions, as well as the use of fiber optic sensors for in-reactor thermal instrumentation. Details on the development of this experiment, experimental conditions, and resulting data (including in situ thermal measurements and post-irradiation imaging of fracture) are provided in this work. LWR-equivalent powers ranging from 10 to 25 kW/m were tested using this apparatus. Cracking was visible at all power levels, with increasing cracking extent as the power level increased, although there was little difference in the cracking between the two highest-power tests, which had LWR-equivalent powers of 20 and 25 kW/m.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Solid-state batteries enabled by ultra-high-frequency self-heating

Solid-state batteries (SSBs) are promising next-generation batteries due to their high energy density and enhanced thermal stability and safety. However, their sluggish kinetics and transport at room temperature result in high internal impedance and critically reduce the attainable discharge energy density. Taking advantage of their strong temperature-dependent ionic conductivity, here we introduce ultra-high-frequency (greater than 105 Hz) self-heating (UHFSH) of SSBs, which can rapidly warm up the batteries from room temperature to operating temperature (∼65°C) in less than a minute. As proof of concept, UHFSH experiments were conducted on symmetric solid-state cells with lithium aluminum germanium phosphate electrolyte in different configurations. Using an experimentally validated model, pack-level simulations predict fast heating (50 K/min) and minimized heating energy consumption (less than 4%). Without any modification of the materials or structure of the batteries, our non-intrusive self-heating strategy potentially enables SSBs to discharge more than 2-fold energy in 25°C ambient.

pulse heating↗
DOE OSTI2024

Modeling and design of a separate effects irradiation test targeting fission gas release from Cr-doped UO 2

Fission gas release (FGR) from nuclear fuel during operation can diminish heat transfer properties across the pellet-cladding gap and increase the fuel rod internal pressure, thereby posing a concern to fuel reliability and safety during an accident. Enlarging the fuel grain size, which has been shown to improve fission gas retention, can be achieved by doping the fuel feedstock prior to sintering. In this work, the BISON fuel performance code was used to predict FGR from undoped and chromia-doped UO 2 (referred to as Cr-doped UO 2 ) fuel specimens with different grain sizes and across various temperatures. The BISON models identified the irradiation conditions for which FGR is most significant, and a separate effects irradiation experiment in the High Flux Isotope Reactor (HFIR) was then developed targeting those conditions. Further, the experiment leveraged the MiniFuel irradiation capability at Oak Ridge National Laboratory and consisted of 12 fuel specimens of varying grain size and Cr content. A coupling scheme between BISON FGR results and the ANSYS finite element thermal model used for experiment design was formulated to predict cumulative FGR from each fuel specimen based on expected irradiation temperature histories. The fuel samples were fabricated and characterized as a part of this work, and the fuel compositions modeled in BISON were representative of the specimens used in the experiment. This combined modeling and experimental effort aims to study the effect of fuel grain size and Cr content on FGR and to provide simulated BISON FGR results that can be used for future model validation activities.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Development and demonstration of a BISON–Griffin modeling framework for the design of targeted TRISO transient experiments in the Transient Reactor Test Facility

Uranium oxycarbide (UCO)-bearing tri-structural isotropic (TRISO) particle fuels are expected to be used in numerous U.S. commercial reactor applications within the next decade. Here, in this work, we reviewed historical particle fuel transient experiments to identify gaps in TRISO fuel performance transient testing. A BISON–Griffin modeling framework was then developed to conduct preliminary TRISO transient analyses and begin to address these gaps. The framework was demonstrated using limiting-case transient conditions from a prototypic high-temperature gas-cooled reactor (HTGR). It was then applied to develop a matrix of experiments that could be performed in the Transient Reactor Test Facility (TREAT) to (1) evaluate UCO-fueled particle performance at moderate and high heat rates, (2) assess whether historical testing involving UO 2 -fueled particles is applicable to modern UCO-fueled particles, (3) deconvolute the impacts of temperature and heat rate on particle transient response, and (4) collect the data needed for fuel performance model validation and/or further development.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

The transport of suspended sediment in the wake of a marine hydrokinetic turbine: Simulations via a validated Discrete Random Walk (DRW) model

The interaction of sediment with Marine Hydrokinetic (MHK) Turbines is studied via turbulent flow simulation coupled with a model for particle dynamics. The Discrete Random Walk (DRW) model is commonly used for simulations of particle dispersion in environmental flows. A method to improve the accuracy of the DRW model in conjunction with RANS simulations of the flow around MHK turbines is presented. A key issues for the use of the DRW model in marine applications is identified, finding the right characteristic eddy lifetime scale, and a simple methodology based on G.I. Taylor's classical dispersion theory is develop to calibrate this physical model parameter. The model is validated against experiments in the literature and the physics of suspended sediment transport in the wake of an MHK turbine is studied with this improved method. The qualitative changes observed in the particle trajectories agree well with theoretical and empirical observations and the quantitive trends allow for comparison of multiple particle cases under different flow conditions, confirming that this implementation of CFD can become a powerful tool to select the most challenging cases, among the thousands of potential studies on the environmental effects of MHK energy, for further study with experiments and pilot projects.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Experimental and numerical comparisons of a dual-flap floating oscillating surge wave energy converter in regular waves

The floating oscillating surge wave energy converter (FOSWEC) is a wave energy converter that was designed, built, and tested to develop an open-access data set for the purpose of numerical model validation. Here, this paper details the experimental testing of the 1:33-scale FOSWEC in a directional wave basin, and compares experimental data to numerical simulations using the wave energy converter simulator (WEC-Sim) open-source code. The FOSWEC consists of a floating platform moving in heave, pitch, and surge, and two pitching flaps. Power is extracted through relative motion between each of the flaps and the platform. The device was designed to constrain different degrees of freedom so that it could be configured into a variety of operating conditions with varying dynamics. The FOSWEC was tested in a range of different conditions including: static offset, free decay, forced oscillation, wave excitation, and dynamic response to regular waves. In this paper, results from the range of experimental tests are presented and compared to numerical simulations using the WEC-Sim code.

16 TIDAL AND WAVE POWER↗