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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Molecular Tuning of Reactivity of Zeolite Protons in HZSM-5

In acidic HZSM-5 zeolite, the reactivity of a methanol molecule interacting with the zeolite proton is amenable to modification via coadsorbing a stochiometric amount of an electron density donor E to form the [(E)(CH 3 OH)(HZ)] complex. The rate of the methanol in this complex undergoing dehydration to dimethyl ether was determined for a series of E with proton affinity (PA) ranging from 659 kJ mol –1 for C 6 F 6 to 825 kJ mol –1 for C 4 H 8 O and was found to follow the expression: Ln(Rate) – Ln(Rate N 2 ) = β(PA – PA N 2 ) γ , where E = N 2 is the reference and β and γ are constants. This trend is probably due to the increased stability of the solvated proton in the [(E)(CH 3 OH)(HZ)] complex with increasing PA. Importantly, this is also observed in steady-state flow reactions when stoichiometric quantities of E are preadsorbed on the zeolite. As demonstrated with E being D 2 O, the effect on methanol reactivity diminishes when E is present in excess of the [(E)(CH 3 OH)(HZ)] complex. It is proposed that the methanol dehydration reaction involves [(E)(CH 3 OH)(CH 3 OH)(HZ)] as the transition state, which is supported by the isotopologue distribution of the initial dimethyl ether formed when a flow of CH 3 OH was passed over ZSM-5 containing one CD 3 OH per zeolite proton. Furthermore, the implication of this on the mechanism of catalytic methanol dehydration on HZSM-5 is discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Rheology of bi-disperse dense fiber suspensions

While significant progress has been made in the modeling and simulation of uniform fiber suspensions, no existing model has been validated for industrially-relevant concentrated suspensions containing fibers of multiple aspect ratios. In the present work, we investigate bi-disperse suspensions with two fiber populations in varying aspect ratios in a steady shear flow using direct numerical simulations. Moreover, we measure the suspension viscosity by creating a controlled length bidispersity for nylon fibers suspended in a Newtonian fluid. Here the results showed good agreement between the experimentally measured and numerically predicted viscosity for bi-disperse suspensions. The ratio between the aspect ratio of large to small fibers (size ratio) and the volume fraction of large fibers (composition) in bi-disperse systems strongly affected the rheological behavior of the suspension. The increment of relative viscosity associated with size ratio and composition can be explained by the decrease in the maximum flowable limit or jamming volume fraction. Moreover, the relative viscosity of bi-disperse suspensions collapses, when plotted against the reduced volume fraction, demonstrating the controlling influence of the jamming fraction in bi-disperse fiber suspensions.

42 ENGINEERING↗
DOE OSTI2024

The advancing wave front on a sloping channel covered by a rod canopy following an instantaneous dam break

The drag coefficient Cd for a rigid and uniformly distributed rod canopy covering a sloping channel following the instantaneous collapse of a dam was examined using flume experiments. The measurements included space x and time t high resolution images of the water surface h(x, t) for multiple channel bed slopes So and water depths behind the dam Ho along with drag estimates provided by sequential load cells. Using these data, an analysis of the Saint-Venant equation (SVE) for the front speed was conducted using the diffusive wave approximation. An inferred Cd=0.4 from the h(x, t) data near the advancing front region, also confirmed by load cell measurements, is much reduced relative to its independently measured steady-uniform flow case. This finding suggests that drag reduction mechanisms associated with transients and flow disturbances are more likely to play a dominant role when compared to conventional sheltering or blocking effects on Cd examined in uniform flow. The increased air volume entrained into the advancing wave front region as determined from an inflow–outflow volume balance partly explains the Cd reduction from unity.

Mechanics↗
DOE OSTI2023

Rheology of concentrated fiber suspensions with a load-dependent friction coefficient

Here we investigate the effects of fiber aspect ratio, roughness, flexibility, and volume fraction on the rheology of concentrated suspensions in a steady shear flow using direct numerical simulations. We model the fibers as inextensible continuous flexible slender bodies with the Euler-Bernoulli beam equation governing their dynamics suspended in an incompressible Newtonian fluid. The fiber dynamics and fluid flow coupling is achieved using the immersed boundary method. In addition, the fiber surface roughness might lead to interfiber contacts, resulting in normal and tangential forces between the fibers, which follow Coulomb’s law of friction. The surface roughness is modeled as hemispherical protrusions on the fiber surfaces. Their deformation results in a normal load-dependent friction coefficient. Our simulations accurately predict the experimentally observed shear thinning in fiber suspensions. Furthermore, we find that the suspension viscosity η increases with increasing the volume fraction, roughness, fiber rigidity, and aspect ratio. The increase in η is the macroscopic manifestation of a similar increase in the microscopic contact contribution to the total stress with these parameters. In addition, we observe positive and negative first N 1 and second N 2 normal stress differences, respectively, with |N 2 | < |N 1 |, in agreement with previous experiments. Last, we propose a modified Maron-Pierce law to quantify the reduction in the jamming volume fraction by increasing the fiber aspect ratio and roughness. Our results and analysis establish the use of fiber surface tribology to tune the suspension flow behavior.

42 ENGINEERING↗
DOE OSTI2024

Optimization of District Heating Network Parameters in Steady-State Operation

Here we examine the modeling, simulation, and optimization of district heating systems, which are widely used for thermal transport using steam or hot water as a carrier. We propose a generalizable framework to specify network models and scenario parameters, and develop an optimization method for evaluating system states including pressures, fluid flowrates, and temperatures throughout the network. The network modeling includes pipes, thermal plants, pumps, and passive or controllable loads as system components. We propose basic models for thermodynamic fluid transport and enforce the balance of physical quantities in steady-state flow over co-located outgoing and return networks. We formulate an optimization problem with steam and hot water as the outgoing and return carriers, as in legacy twentieth century systems. The physical laws and engineering limitations are specified for each component type, and the thermal network flow optimization problem is formulated and solved for a realistic test network under several scenarios.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Extended Galerkin Neural Network Approximation of Singular Variational Problems with Error Control

We present extended Galerkin neural networks, a variational framework for approximating general boundary value problems (BVPs) with error control. The main contributions of this work are (1) a rigorous theory guiding the construction of new weighted least squares variational formulations suitable for use in neural network approximation of general BVPs, and (2) an “extended” feedforward network architecture which incorporates and is even capable of learning singular solution structures, thus greatly improving approximability of singular solutions. Furthermore, numerical results are presented for several problems, including steady Stokes flow around reentrant corners and in convex corners with Moffatt eddies in order to demonstrate efficacy of the method.

a posteriori error estimate↗
DOE OSTI2020

A User’s Guide to the PLTEMP/ANL Code

PLTEMP/ANL V4.3 is a program that obtains a steady-state flow and temperature solution for a nuclear reactor core, or for a single fuel assembly. It is based on an evolutionary sequence of codes originally used for plate temperatures, hence “PLTEMP”, developed at Argonne National Laboratory over several decades. Fueled and non-fueled regions are modeled. Each fuel assembly consists of one or more plates or tubes separated by coolant channels. The fuel plates may have one to five layers of different materials, each with heat generation. The width of a fuel plate may be divided into multiple longitudinal stripes, each with its own axial power shape. Depending upon the heat transfer method selected, the temperature solution is effectively 2-dimensional or 3-dimensional (Appendix XV). It begins with a solution across all coolant channels and fuel plates or tubes within a given fuel assembly, at the entrance to the assembly. The temperature solution is repeated for each axial node along the length of the fuel assembly. The geometry may be either slab or radial, corresponding to fuel assemblies made of a series of flat (or slightly curved) plates, or of nested tubes. A variety of thermal-hydraulic correlations are available to determine safety margins such as onset-of-nucleate boiling ratio(ONBR), departure from nucleate boiling ratio (DNBR), and onset of flow instability ratio (OFIR). Coolant properties for either light or heavy water are obtained from FORTRAN functions rather than from tables. The code is intended for thermal-hydraulic analysis of research reactor performance in the sub-cooled boiling regime. Both turbulent and laminar flow regimes can be modeled. Options to calculate both forced flow and natural circulation are available. A general search capability is available (Appendix XII) to greatly reduce the reactor analyst’s time.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

A User’s Guide to the PLTEMP/ANL Code (V.4.3)

PLTEMP/ANL V4.3 is a program that obtains a steady-state flow and temperature solution for a nuclear reactor core, or for a single fuel assembly. It is based on an evolutionary sequence of codes originally used for plate temperatures, hence “PLTEMP”, developed at Argonne National Laboratory over several decades. Fueled and non-fueled regions are modeled. Each fuel assembly consists of one or more plates or tubes separated by coolant channels. The fuel plates may have one to five layers of different materials, each with heat generation. The width of a fuel plate may be divided into multiple longitudinal stripes, each with its own axial power shape. Depending upon the heat transfer method selected, the temperature solution is effectively 2-dimensional or 3-dimensional (Appendix XV). It should be noted that for a 3-dimensional solution the axial power shape is modeled without accounting for axial heat conduction. It begins with a solution across all coolant channels and fuel plates or tubes within a given fuel assembly, at the entrance to the assembly. The temperature solution is repeated for each axial node along the length of the fuel assembly. The geometry may be either slab or radial, corresponding to fuel assemblies made of a series of flat (or slightly curved) plates, or of nested tubes. A variety of thermal-hydraulic correlations are available to determine safety margins such as onset-of-nucleate boiling ratio(ONBR), departure from nucleate boiling ratio (DNBR), and onset of flow instability ratio (OFIR). Coolant properties for either light or heavy water are obtained from FORTRAN functions rather than from tables. The code is intended for thermal-hydraulic analysis of research reactor performance in the sub-cooled boiling regime. Both turbulent and laminar flow regimes can be modeled. Options to calculate both forced flow and natural circulation are available. A general search capability is available (Appendix XII) to greatly reduce the reactor analyst’s time.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

A User’s Guide to the PLTEMP/ANL Code

PLTEMP/ANL V4.4 is a program that obtains a steady-state flow and temperature solution, in geometrical extent, for a nuclear reactor core, or a single fuel assembly, including the effect of manufacturing and modelling uncertainties by the means of hot channel factors. It is based on an evolutionary sequence of codes originally used for calculating plate temperatures, hence “PLTEMP”, developed at Argonne National Laboratory over the past 30 years. Fueled and non-fueled regions are modeled. Each fuel assembly consists of one or more plates or tubes separated by coolant channels. The fuel plates may have one to five layers of different materials, each with heat generation. The width of a fuel plate may be divided into multiple longitudinal stripes, each with its own axial power shape. Depending upon the heat transfer method selected, the temperature solution is effectively 2-dimensional or 3-dimensional. The geometry may be either slab or radial, corresponding to fuel assemblies made of a series of flat (or slightly curved) plates, or of nested tubes. A variety of thermal-hydraulic correlations are available to determine safety margins such as onset of nucleate boiling ratio (ONBR), departure from nucleate boiling ratio (DNBR), and onset of flow instability ratio (OFIR). Coolant properties for either light or heavy water are obtained from FORTRAN functions rather than from tables. The code is intended for thermal-hydraulic analysis of research reactor performance in the sub-cooled boiling regime. Both turbulent and laminar flow regimes can be modeled. Options to calculate both forced flow and natural circulation are available. A general search capability for select design and safety parameters is available to greatly reduce the reactor analyst’s time.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Influence of cellular redox reactions on the structure and function of light harvesting and photosystems

Photosynthesis enables the conversion of one of the most abundant and free forms of energy, sunlight, into chemical bonds through the utilization of highly tailored protein complexes. These enzymes work in unison to absorb, convert, and transform light into high-energy electrons which are used for various functions important to metabolism and cellular protection. Over the last ∼50 years, photosynthetic organisms, such as cyanobacteria, have been adapted and engineered to produce valuable compounds like hydrogen and ethylene, among others. Often this is performed by removing native and/or adding in exogenous energy utilization pathways so that light energy is re-directed towards the synthesis of desired compounds. However, the interplay between primary light capture, conversion reactions, and the downstream electron utilization sinks is not fully understood. Further complicating these strategies are the plethora of compensatory mechanisms that facilitate steady electron flow and the maintenance of photosynthesis under dynamic conditions. This manifests as structural and functional plasticity of the photosynthetic machinery, often seen in modulations of oligomeric compositions or changes in protein-protein interactions and coupling with redox enzymes. Understanding these mechanisms is crucial to biotechnology applications because re-engineering electron utilization sinks has profoundly different effects on the light capture and conversion reactions of photosynthesis. Optimization requires a molecular-level understanding of the functional interrelationships between electron sinks and photosynthetic components that influence photosynthetic efficiencies to realize potential improvements in product yields. Here, we aim to highlight how perturbation of reductive reactions is revealing the functional plasticity in key components of the photosynthetic energy transduction pathway.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

In-silico quantification of intersubject variability on aerosol deposition in the oral airway

The extrathoracic oral airway I s not only a major mechanical barrier for pharmaceutical aerosols to reach the lung but also a major source of variability in lung deposition. Using computational fluid dynamics, deposition of 1-30 µm particles was predicted in 11 CT-based models of the oral airways of adults (7 healthy subjects and 4 patients with chronic obstructive pulmonary disease). Simulations were performed for mouth breathing during both inspiration and expiration at two steady-state flow rates representative of resting/light activity (18 L/min) and of that typically used during aerosol inhalation from a dry powder inhaler (45 L/min). For each subject, oral deposition increased with increasing particle size and flow rate. When averaged over all subjects, there was no significant difference in oral deposition efficiency between inspiration and expiration, unlike subregional deposition that show significantly different patterns between the two breathing phases. Consistent with previous in-vitro inspiratory studies, our data showed a large intersubject variability in oral deposition. These results highlight the need for incorporating morphological variation of the upper airway in predictive models of aerosol deposition for accurate predictions of particle dosimetry in the intrathoracic region of the lung.

Computational fluid dynamics (CFD), Inertial impac↗
DOE OSTI2020

Steady-State Analysis of Microgrid Distributed Control Under Denial of Service Attacks

Distributed control is an effective method to coordinate multiple components in a microgrid. It usually has mandatory requirements for communication graph topology; changing the topology unexpectedly could disrupt the operation of a distributed controller. A denial of service (DoS) attack blocks communication channels to cause variations in communication graph. Unforeseen topology changes render a controller to receive incomplete system information. Control decisions made based on incorrect information can lead to significantly reduced grid supporting capability. As a result, the vital power balance between generation and load may be challenged. Determining power balance requires steady-state power flow analysis; however, the cyber-induced steady-state analysis is not well studied in the literature. Here, in this article, we show that a cyber–physical microgrid with unknown DoS attacks has augmented uncertain power flow equations, whose special structure creates new computational issue to determining power balance. To deal with the issue, we develop a novel cyber-induced microgrid model: the cyber–physical system is transformed into a pure physical model, where the disruption effects of DoS in the cyber layer are shown to be equivalent to the variations of the physical model parameters. With the transformed system, we develop a sufficient condition to ascertain the system power balance under unknown DoS attacks. In addition, practical insights for resilient distributed control design are shown as well.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Experimental investigation of internal two-phase flow structures and dynamics of quasi-stable sheet cavitation by fast synchrotron x-ray imaging

The quasi-stable sheet cavitation produced in a small Venturi channel is investigated using a fast synchrotron X-ray imaging technique aided with conventional high speed photography. The use of X-rays instead of visible light solves cavitation opacity related issues, and X-ray phase contrast-based edge enhancement enables high-definition visualization of the internal two-phase morphology. The simultaneous acquisition of time-resolved velocity and void fraction fields through post-processing the recorded X-ray images reveals, for the first time, the complex diphasic flow structures inside the sheet cavity, which is essentially divided into 6 characteristic parts. Distinct from the current mainstream view, the globallysteady sheet cavitation is found to be characterized by a weak but constantly-existing re-entrant flow that can penetrate the entire cavity. The turbulent velocity fluctuations inside the sheet cavity are also investigated. The turbulence level in the reverse flow region is observed to be as low as in the outer main flow demonstrating the relatively steady status of the reentrant flow. Unlike the streamwise and cross-stream fluctuations, the shear stress appears to be weakly correlated with the velocity gradient. The collapse of vapor phase and the vaporization at the upstream cavity interface are found to be the primary causes of shear stress intensification.

42 ENGINEERING↗
DOE OSTI2021

The curled wake model: a three-dimensional and extremely fast steady-state wake solver for wind plant flows

Abstract. Wind turbine wake models typically require approximations, such as wake superposition and deflection models, to accurately describe wake physics. However, capturing the phenomena of interest, such as the curled wake and interaction of multiple wakes, in wind power plant flows comes with an increased computational cost. To address this, we propose a new hybrid method that uses analytical solutions with an approximate form of the Reynolds-averaged Navier–Stokes equations to solve the time-averaged flow over a wind plant. We compare results from the solver to supervisory control and data acquisition data from the Lillgrund wind plant obtaining wake model predictions which are generally within 1 standard deviation of the mean power data. We perform simulations of flow over the Columbia River Gorge to demonstrate the capabilities of the model in complex terrain. We also apply the solver to a case with wake steering, which agreed well with large-eddy simulations. This new solver reduces the time – and therefore the related cost – it takes to simulate a steady-state wind plant flow (on the order of seconds using one core). Because the model is computationally efficient, it can also be used for different applications including wake steering for wind power plants and layout optimization.

17 WIND ENERGY↗
DOE OSTI2025

Reaction Pathways over ZnZrO 2 -Based Catalysts and Catalytic Sorbents

Reactive capture and conversion (RCC) is a process intensification approach that integrates CO 2 capture and hydrogenation within a single unit, removing the CO 2 purification and storage steps of traditional process flow schemes. This alters the catalytic step from a traditional steady-state (SS) flow process to a transient capture and conversion cycle, which could lead to product distributions distinct from those observed in conventional SS experiments. Such differences are investigated in the combined capture and hydrogenation of carbon dioxide to methanol over a ZnZrO 2 catalyst and a ZnZrO 2 + NaNO 3 /Mg 3 AlO x catalytic sorbent (CS) using fixed-bed kinetic measurements, in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), and steady-state isotopic transient kinetic analysis-DRIFTS (SSITKA-DRIFTS). Under SS conditions, ZnZrO 2 produced methanol through sequential hydrogenation of HCOO* and CH 3 O* intermediates. On the contrary, CO was attributed primarily to CO 2 dissociation at oxygen vacancies, as supported by isotopic shifts and measured reaction orders. For the CS, isotopic switching experiments suggested that monodentate carbonate species (CO 3 2− , abbreviated as m-CO 3 2− ) act as active intermediates that can be hydrogenated to HCOO* and subsequently to CH 3 O. Under RCC conditions, in situ DRIFTS and isotopic experiments reveal that m-CO 3 2− species formed during the CO 2 capture step follow two competing routes upon H 2 exposure: (i) direct hydrogenation to methane on the sorbent domain or (ii) migration of m-CO 3 2− to the ZnZrO 2 domain, where they are hydrogenated to methanol through the HCOO pathway. Overall, RCC enables carbonate hydrogenation routes not observed under SS cofeed conditions. Thus, the reaction pathways and rates during RCC can be different from operation under conventional SS conditions, and the product distribution is determined here by competition between carbonate hydrogenation on sorbent sites and migration to ZnZrO 2 for methanol synthesis.

CCUS↗
DOE OSTI2020

Numerical analyses of high temperature dense, granular flows coupled to high temperature flow property measurements for solar thermal energy storage

High temperature particle flow properties necessary to predict granular flow behavior for solar thermal energy storage applications were measured and calculated for Carbobead CP 30/60 up to 800 °C. Here, the measured properties included elastic and shear moduli, particle-particle coefficients of static sliding and rolling friction, and particle-particle coefficients of restitution. Poisson’s ratio was calculated with elastic and shear moduli. The flow properties were used as inputs for a numerical model using the discrete element method to examine granular flows along an inclined plane at high temperature. The flow behavior was strongly influenced by the coefficients of static friction, which impacted the particle residence time, shear effects from the side walls, and particle flow mass flux. An 8.7%, 15.6%, and 8.5% increase and 37.9% decrease in steady state mass flow rate was observed for 200 °C, 400 °C, 600 °C, and 800 °C, respectively, when compared to room temperature simulations. A 52%, 59%, and 33% decrease in the time to reach steady state was observed for 200 °C, 400 °C, and 600 °C, respectively, while a 53% increase in time was observed for 800 °C. A significant delay in the flow development at 800 °C was observed due to significantly higher frictional forces.

14 SOLAR ENERGY↗
DOE OSTI2026

Reduced Order Models for Liquid Hydrogen Pooling and Vaporization Supported by Experiments

In the event of a leak of liquid hydrogen, a pool can form that vaporizes, disperses, and eventually dilutes to a non-flammable mixture. In this work, we describe fast-running models for the pooling and vaporization of liquid hydrogen in a steady cross-wind. Several pooling models from the literature are compared to solve for the flow and extent of the pool. The size of the pool can serve as the source for a separate dispersion model, which builds upon the existing one-dimensional Gaussian plume model in HyRAM+. Additional terms for the effects of a cross-wind on momentum and entrainment were added so that the model could handle the effects of a cross-wind on a low-speed flow. The models are compared to experimental data on pooling extent and downwind dispersion for steady flow rates of liquid hydrogen in a steady cross-wind. In the two compared experiments, liquid flow rates of 15 and 45 g/s were spilled onto concrete in cross-winds of approximately 1.8 m/s. The rate of growth of the pool and the downwind concentration boundaries are compared to the models, showing good agreement, although additional tuning is needed. These models can contribute to the advancement of codes and standards for liquid hydrogen systems.

dispersion↗
DOE OSTI2020

Elucidating the Impact of Flow on Material-Sensitive Critical Heat Flux and Boiling Heat Transfer Coefficients: An Experimental Study with Various Materials

In this work, steady-state internal flow boiling critical heat flux (CHF) experiments were carried out at 10°C inlet subcooling and atmospheric pressure (84 kPa at an altitude of about 5300 feet) with mass flux ranging from 200 to 2,000 kg/m 2 -s on seven tube materials, including the accident-tolerant fuel cladding candidate FeCrAl (C26M) alloy. At a relatively low flow rate, the sensitivity of CHF to different materials was appreciable (the average difference among the tested materials was 19% at 200 kg/m 2 -s). As the absolute CHF differences stayed constant for higher flow rates, the increased flow rate led to reduced relative CHF differences among the tested materials (average relative difference of 15% at 1,000 kg/m 2 -s). FeCrAl alloy claddings that were oxidized under simulated Light Water Reactor (LWR) conditions yielded CHF comparable to as-received FeCrAl alloy cladding, with less than 1.8% difference. Experimental CHF results imply marginal material sensitivity impacts on the departure from nucleate boiling ratio in steady-state nuclear reactor cores. Yet, for accident progression analysis, material sensitivity may hold importance, as boiling behavior variation at low mass flux is appreciable. Macroscopic material parameters (surface wettability, surface roughness, and thermal properties) do not provide a suitable explanation for observed material-sensitive CHFs. Yet, surface roughness and thermal effusivity revealed power and linear relations, respectively, to the nucleate boiling heat transfer coefficients at low mass flux. At high mass flux, material sensitivity on nucleate boiling heat transfer significantly decreased due to the increased shear stress on boiling surface overwhelming material-related boiling implications.

36 MATERIALS SCIENCE↗