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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 505 records · Page 28

Viewing is understanding: Graphite microstructure effects on infiltrated molten salt distribution revealed by 3D neutron tomography

Molten salt infiltration in the pore network of nuclear graphite may cause unwanted changes to graphite's local structure and mechanical and thermal properties. A detailed and comprehensive understanding of molten salt intrusion (distribution across sample cross section and penetration depth) is needed to assess its effects. Here, in this work, we report on an improved methodology for the use of neutron imaging (computed tomography) to evaluate salt penetration and distribution of a wide range of graphite grades with diverse microstructures. Neutron tomography data were acquired on the same graphite sample before and after salt intrusion; the 3D reconstructed volumes were digitally co-registered and subtracted. The difference in neutron attenuation coefficient represents direct visualization of FLiNaK (LiF–NaF–KF) salt distribution in the salt-impregnated graphite samples. This improved methodology was applied to investigate the effect of exposure times (12 h and 336 h) and of graphite microstructure when exposed to FLiNaK at 750 °C and 3 bar (gauge) pressure, starting from flowing argon at near atmospheric pressure. The results show that medium-grained and fine-grained graphites evolve to equilibrium at significantly different rates: fast salt uptake in medium-grained graphites produces salt deposits throughout the volume of graphite specimens, whereas salt infiltration in fine-grained graphites is much slower and limited to exposed surfaces.

FLiNaK infiltration↗

Microstructure and water absorption of ancient concrete from Pompeii: An integrated synchrotron microtomography and neutron radiography characterization

There is renewed interest in using advanced techniques to characterize ancient Roman concrete due to its exceptional durability and low-carbon footprint. In the present work, samples were drilled from the “Hospitium” in Pompeii and were analyzed by synchrotron microtomography (μCT) and neutron radiography to study how the microstructure, including the presence of induced cracks, affects their water adsorption. The water distribution and absorptivity were quantified by neutron radiography. The 3D crack propagation, pore size distribution and orientation, tortuosity, and connectivity were analyzed from μCT results using advanced imaging methods. Porosity was also measured by mercury intrusion porosimetry (MIP) as a reference. Ductile fracture patterns were observed once cracks were introduced. Compared to Portland cement mortar/concrete, the Pompeii samples had relatively high porosity, low connectivity, and a similar coefficient of capillary penetration. In addition, permeability was predicted from models based on percolation theory and pore structure data to evaluate the fluid transport properties. Understanding the microstructure of ancient Pompeii concrete is important because it could inspire the development of modern concrete with high durability.

36 MATERIALS SCIENCE↗

Simultaneous x-ray and neutron 4D tomographic study of drying-driven hydro-mechanical behavior of cement-based materials at moderate temperatures

The drying of cement-based materials is intimately related to their durability, which has significant economic, social and environmental repercussions. The evolution of the saturation of the pore network and the associated drying shrinkage are in fact leading causes of cracking and of the ensuing penetration of aggressive chemicals. This process is highly heterogeneous, due to the thermo-hydric spatial gradients developing in the material from the exposed surfaces to its core and because of local effects, driven by the intrinsically heterogeneous micro-structure (e.g., by the distribution of pores and aggregates). It follows that macroscopic, sample-scale measurements cannot fully disclose the complexity of the underlying processes. In the last few decades, significant advances in full-field techniques have allowed an unprecedented insight into these local processes. For cement-based materials, x-ray and neutron tomography lend themselves as ideal, and highly complementary, tools for the study of their thermo-hydro-mechanical behavior. Notably, the high sensitivity to density variations of x-ray imaging gives access to the developments of fractures, in 4D (3D + time). On the other hand, neutron tomography allows the study of the evolution of the moisture field in 4D, thanks to its high hydrogen sensitivity. The combination of these two techniques provides a unique insight in thermo-hydro-mechanical couplings, e.g., the effect of cracks on the water content field. This contribution presents novel 5D datasets (3D tomographies along time, plus truly simultaneous x-ray and Neutron rapid acquisitions) in-operando of a cement paste and of a concrete sample heated at moderate temperatures (up to 140{sup ∘}C). The analysis of this 5D data-set (once aligned in time and across modalities) allows for example a quantification of the 4D moisture profiles which were found to predict an overall water loss at hydric equilibrium coherent with the corresponding analytical analysis. In the cement paste sample, the x-ray dataset captures the evolution of an extensive cracking network, opening and propagation toward the core of the sample. A novel analysis procedure is here proposed which allows the extraction of these fractures and the analysis of their interplay with local drying as captured through neutron imaging. This for example reveals the depth of penetration of drying in the vicinity of the fractures along time, which is essential for the assessment and calibration of hydro-mechanical coupled models.

36 MATERIALS SCIENCE↗

Dielectric and magnetic properties of microwave-absorbing FeAl x O y catalysts fabricated via solution combustion synthesis

Iron-based alumina (FeAl x O y ) nanocomposites are microwave-absorbers and catalysts, which makes them promising for emerging microwave-assisted thermocatalytic technologies. Solution combustion synthesis (SCS) has been used to synthesize FeAl x O y powders, and prior work has demonstrated that adjusting SCS parameters significantly changes phase composition and specific surface area of the products. However, it is unclear how synthesis parameters affect their microwave-absorbing properties, which are essential for optimizing microwave-assisted technologies. To address this challenge, in the present work, twelve different FeAl x O y products were synthesized at different combinations of the SCS parameters such as two fuels (citric acid and glycine), two heating modes (hotplate and muffle furnace), and three Fe:Al molar ratios (2:1, 1:1, 1:2). Dielectric and magnetic properties of the products were characterized using a network analyzer and a vibrating sample magnetometer. Based on the measured permittivity and permeability, penetration depth and reflection loss were calculated as a function of frequency and bed thickness. The products were heated by microwaves at 2.45 GHz and then examined with X-ray diffraction (XRD) analysis. For all products, the magnetic saturation was lower than for bulk iron oxides because of the small crystallite size and aluminum substitution. The use of glycine induced high dielectric losses and enabled fast microwave-heating rates compared to citric acid. Higher Fe:Al ratio also led to higher dielectric and magnetic losses. With glycine fuel, SCS in a furnace induced larger penetration depth and lower microwave absorption than SCS on a hotplate. The minimization of reflected power was more sensitive to the thickness of the product bed than to the frequency of the electromagnetic field. Post-heating XRD analysis revealed different phase transformations in the FeAl x O y powders depending on the SCS parameters. As a result, an FeAl x O y material, synthesized via incipient wetness impregnation, lacked magnetic losses and did not heat well as compared to the SCS products.

Combustion synthesis↗

Optimal sensor network design for multi-scale, time-varying differential algebraic equation systems: Application to an entrained-flow gasifier refractory brick

An algorithm for optimal sensor network design for multi-scale, time-varying differential algebraic equation systems with non-separable dynamics is presented. As the process is time-varying, an integral normalized posterior error covariance of a multi-scale filter is minimized to obtain the optimal sensor locations. For reducing the computational cost, an adaptive sampling rate approach is considered for the slowly-varying variables. The algorithm is applied to a smart refractory brick with embedded sensors as part of an entrained-flow gasifier. Thermistors and interdigital capacitors are considered as candidate measurement technologies for estimating temperature and slag penetration profile along the gasifier wall. Finally, when the optimal set of sensors obtained from the algorithm is used for estimating temperature and slag penetration profiles in a multi-scale Kalman filter framework, satisfactory estimates are obtained despite high measurement noise and model mismatch.

42 ENGINEERING↗

The roles of yield strength mismatch, interface strength, and plastic strain gradients in fatigue crack growth across interfaces

An irreversible cohesive zone model was used to understand how plastic strain gradients and yield strength mismatches affect fatigue crack growth across bi-material and multilayer interfaces for a range of interface strengths. Parametric studies identified regimes of penetration through the interface, deflection into the interface, and a transition where cracks extend on both paths. Plastic strain gradients strongly influence the transition regime, and a yield strength mismatch is necessary to cause deflection. For crack growth across an interlayer, interactions between the interfaces occur when the crack-tip plastic zone spans the interlayer. Plastic strain gradients promote penetration through the interlayer.

42 ENGINEERING↗

Experimental study of flash boiling spray with isooctane, hexane, ethanol and their binary mixtures

The main goal of this study is to understand the effect of fuel properties on flash boiling sprays using multi-hole injectors. Macroscopic characteristics were investigated using Diffused Backlight Imaging (DBI) and quantified with liquid penetration length and spray angles. Phase Doppler Anemometry (PDA) was applied to measure the droplet size and velocity. Behaviors of spray with three single-component fuels (isooctane, hexane, ethanol) under different ambient pressures (100 kPa, 80 kPa, 50 kPa, 22 kPa) as well as their binary mixtures under different blend ratios (10%, 30%, 85%) were reported and analyzed. The results showed that adding ethanol or hexane to isooctane could both promote flash boiling by increasing the overall vapor pressure thus superheated degree. Under mixing ratios of 10% and 30%, sprays with ethanol blends showed more severe flash boiling comparing with sprays with hexane blends. Shorter liquid penetration and better liquid dispersion have been observed. Comparing with isooctane spray, the droplet size continuously decreased with increasing hexane content due to enhanced breakup and faster vaporization. Sprays with ethanol mixtures showed a different trend. Noticeable droplet size reduction has been observed for spray with 10% ethanol content. However, droplet size did not further decrease with higher blend ratios regardless of higher flash boiling intensity. Such observations indicate severe vaporization inhibition caused by the high latent heat of vaporization of ethanol. For sprays with all test fuels, collapsing occurred when the pressure ratio of ambient pressure to saturation pressure (Rp) dropped below 0.3.

03 NATURAL GAS↗

An experimental and one-dimensional modeling analysis of turbulent gas ejection in pre-chamber engines

In this work, experimental results from a study on the evolution of gas jets ejected through the orifices of a pre-chamber in a heavy-duty optical engine are presented. The work examines conditions without fuel inside the main-chamber, which helps to describe the dynamics of the ejected gas jets without the interference of subsequent combustion in the main-chamber. Experimental diagnostics consist of high-speed visible intensified imaging and low-speed infrared imaging. Additionally a one-dimensional gas jet model is used to characterize the spatial distribution of the ejected flow, including parameters such as tip penetration, which are then validated based on experimental results. Different stages in the ejection of pre-chamber jets are identified, with chemical activity restricted to a maximum distance of 5 to 10 orifice diameters downstream of the orifice as indicated by the recorded visible radiation. Sensitivity of cycle-to-cycle variations in pre-chamber jet development to the air-to-fuel ratio in the pre-chamber observed in the experiments is in most part attributed to the variations in the timing of combustion initiation in the pre-chamber. The influence of the ejection flow on the penetration of the gas jet on a cycle-to-cycle basis is presented using the one-dimensional model. The one-dimensional model also indicates that the local flow exhibits highest sensitivity to operating conditions during the start of ejection until the timing when maximum flow is attained. Differences that exist during the decreasing mass-flow ejection time-period tend to smear out in part due to the transient slowdown of the ejection process.

1-D gas jet model↗

Spray and combustion characteristics of butanol-diesel and hexanol-diesel blends under high-altitude conditions

Due to their excellent fuel properties, butanol and hexanol are considered as two promising renewable fuels for diesel engine applications. The objective of this work is to investigate and compare the spray and combustion characteristics of butanol-diesel and hexanol-diesel blends under high-altitude conditions. A constant volume combustion chamber was used to provide the desired environment. Experiments were conducted under various ambient temperatures ranging from 800 K to 1200 K and various ambient densities ranging from 11 kg/m3 to 15 kg/m3. Fuel blends with 20% blend ratio (B20 and H20) and neat diesel were used as test fuels. The spray and combustion characteristics of the test fuels were analyzed using measured liquid penetration length, ignition delay, combustion duration, flame lift-off length (FLoL), and spatially integrated natural luminosity (SINL). Here the results revealed that B20 and H20 had shorter liquid penetration length than diesel under low ambient temperature and density conditions due to their higher volatility. The blended fuels showed significantly longer ignition delay than diesel under low ambient temperature conditions, but it could be overcome by increasing the ambient temperature. Adding butanol and hexanol into diesel both extended FLoL especially under low ambient temperature and density conditions, but the effects of hexanol was less dramatic compared to butanol due to its lower latent heat of vaporization and higher chemical reactivity. Both B20 and H20 showed lower SINL than diesel under any conditions, indicating their ability of reducing soot emissions. However, no apparent differences could be found between these two fuels until the ambient temperature dropped to 800 K.

42 ENGINEERING↗

A novel framework for hosting capacity analysis with spatio-temporal probabilistic voltage sensitivity analysis

Smart grids are envisioned to accommodate high penetration of distributed photovoltaic (PV) generation, which may cause adverse grid impacts in terms of voltage violations. Therefore, PV Hosting capacity is being used as a planning tool to determine the maximum PV installation capacity that causes the first voltage violation and above which would require infrastructure upgrades. Additionally, traditional methods of Hosting capacity analysis are scenario based and computationally complex as they rely on iterative load flow algorithms that require investigating a large number of scenarios for accurate assessment of PV impacts. Therefore, this paper presents a computationally efficient analytical approach to compute the probability distribution of voltage change due to random behavior of randomly located multiple distributed PVs. The proposed approach is based on Spatio-temporal probabilistic voltage sensitivity analysis that exploits both spatial and temporal uncertainties associated with PV injections. Thereafter, the derived distribution is used to quantify voltage violations for various PV penetration levels and subsequently determine the hosting capacity of the system without the need to examine large number of scenarios. Results of the proposed framework are validated via conventional load flow based simulation approach on the IEEE 37 and IEEE 123 node test systems.

42 ENGINEERING↗

Transmission-distribution long-term volt-var planning considering reactive power support capability of distributed PV

High penetration of grid-edge, inverter-based photovoltaic (PV) can cause significant voltage fluctuations not only at the distribution but also at the sub-transmission levels due to PV output intermittency. Traditional reactive power planning approaches do not consider intermittency, nor the possibility of coordinating the control of existing and future volt-ampere reactive resources. This paper proposes a reactive power planning tool for sub-transmission systems to mitigate voltage violations and fluctuations caused by high PV penetration and intermittency with a minimum investment cost. The planning tool coordinates with an optimization-based volt-var operational tool for: a) modeling the coordination of all existing var assets in both sub-transmission and distribution systems to reduce the need of new equipment, and b)selecting a set of scenarios with voltage violations, derived from PV intermittency c) testing the final investment decision. The tool obtains an investment need for each intermittency scenario with a proposed optimal power-flow framework with efficient techniques to handle a high number of discrete variables. Two options are provided for final planning decision: i) a conservative direct combination of investment need solutions and ii) a machine learning-based selection of representative investment needs at most time steps. The final investment decision options are verified using a realistic large-scale sub-transmission system and 5-minute PV and load data. The results show a significant voltage performance improvement with a lower investment cost for additional var equipment compared to conventional approaches.

14 SOLAR ENERGY↗

Experimental study of sprays with isooctane, hexane, ethanol and their binary mixtures under different flash boiling intensities

Here, this work investigated the behaviors of single-component and multi-component sprays under different flash boiling intensities. Isooctane, hexane, ethanol, isooctane-hexane, and isooctane-ethanol mixtures were used as test fuels. The pressure ratio of the ambient pressure over saturation pressure (R p ) was used as the indicator of the superheated degree. Macroscopic characteristics of the sprays under 10 different R p (1.1 to 0.14) were investigated using Diffused Backlight Imaging (DBI). Droplet size, which revealed the spray microscopic characteristics, was also investigated using Phase Doppler Anemometry (PDA). The results showed that ambient pressure reduction led to higher flash boiling intensity, significant spray morphology changes, and smaller droplet size, regardless of the fuel type and blend ratios. Spray collapse was observed for all sprays once R p dropped below 0.3. Spray collapse dramatically increased the liquid penetration length, expanded the near-field spray angle, and reduced the far-field angle for sprays with all the fuels. Fuel properties, such as the latent heat of vaporization, had significant impacts on droplet size distributions, thus altering the liquid penetration length and spray angles. Under similar R p , sprays with high ethanol content generally had larger droplet sizes compared with other fuel sprays due to the high latent heat of vaporization. The larger droplets caused the high ethanol content sprays to be more resistant to the plume trajectory change, resulting in a smaller far-field spray angle variations with changing R p . At R p of 0.28, sprays with the similar latent heat of vaporization have similar droplet sizes, and droplet sizes at different radial locations were also similar to each other.

42 ENGINEERING↗

The Corrected Distortion model for Lagrangian spray simulation of transcritical fuel injection

In this work, we present a detailed implementation and validation of the droplet modeling framework proposed by Dahms and Oefelein (2016) into the engine commercial CFD software CONVERGE using the User Defined Function (UDF) interface. The model accounts for the nonlinear deformation and oscillation experienced by liquid spray droplet injected into high pressure and temperature. Lagrangian spray simulations of Engine Combustion Network (ECN) Spray A are performed. Model validation against standard experimental measurements of liquid velocity, vapor mixture fraction is conducted. To perform more rigorous model validation, new experimental measurements based on Diffused Back Illumination (DBI) are introduced. The new measurements are processed for Projected Liquid Volume (PLV), which offers as close as possible one-to-one model validation for liquid penetration while offering new insights into the spray physics. Comparison with a One-D model based on adiabatic mixing theory by Siebers (1999) and Desantes et al. (2007) are also conducted. Through these model validation exercises, it is shown that the new framework improves liquid-phase penetration predictions, following a tendency for enhanced evaporation, compared to the standard approach for both Reynolds Average Navier Stokes (RANS) and Large Eddy Simulation (LES). Additionally, at the liquid length, maximum mixture fraction values predicted by the new approach are in good agreement those of an adiabatic mixing model. Qualitative analysis of the spray behaviors during the early stage of the injection process reveals that the proposed framework predicts significant increase in droplet evaporation rate with lower drop drag compared to the current standard approach.

42 ENGINEERING↗

Computational study of the ECN spray C via one-way coupling of internal nozzle flow and ensuing spray

Here, in this study, computational fluid dynamics simulations of the Engine Combustion Network Spray C injector were performed to investigate the effect of the internal nozzle flow on the development of the ensuing spray in automotive fuel injectors. A set of simulation best practices was first developed to achieve an accurate representation of the internal nozzle flow. Detailed, spatiotemporally defined information was extracted at the injector’s orifice exit and stored in maps that were subsequently employed to initialize a Lagrangian spray by means of a static, one-way coupling (OWC) approach. To highlight the impact of the in-nozzle flow on the spray, the OWC approach was compared with the conventional rate-of-injection (ROI) approach, for which the spray parcels are commonly initialized using a blob injection model. The results indicated that, using the ROI approach, considerable evaporation was observed within the plume in the near-nozzle region. On the other hand, the OWC approach showed evidence of evaporation farther downstream and at the plume periphery. The different behavior observed with the two approaches was mostly due to substantial differences in fuel mass distribution. The liquid fuel concentration predicted by the OWC approach matched well with X-ray tomography measurements of projected fuel mass per unit volume, in terms of both magnitude and distribution. In contrast, an unphysical distribution of fuel mass characterized by an extremely low liquid concentration was predicted by the ROI approach. In the far-field, the effect of the in-nozzle flow was found to be weaker as the spray penetrated and interacted with the ambient gas. In this region, the OWC and ROI approaches provided similar predictions of vapor penetration, spray morphology, and mixing-related characteristics.

33 ADVANCED PROPULSION SYSTEMS↗

High susceptibility to adiabatic shear banding and high dynamic strength in tungsten heavy alloys with a high-entropy alloy matrix

The susceptibility to adiabatic shear banding (ASB) of tungsten heavy alloys (WHAs) is a key factor to determine their penetration performance for kinetic energy penetrators (KEPs). This work reports a novel WHA with strong susceptibility to ASB that uses a precipitation-hardening high-entropy alloy (HEA) as the binding phase of W particles. The results find that nanoscale L12 precipitates and high dislocation density in the matrix contribute a high dynamic yield strength of ~2300 MPa. Also, a narrow ASB with a width of ~12 μm forms in the novel WHA, which is only 6% of the width of ASB in traditional WHAs like W-NiFe, exhibiting a great susceptibility to ASB. The redissolution of precipitates into the matrix because of temperature rise during shearing could sharply soften the shearing location, which is suggested to be a very important factor of destabilizing mechanism to promote the development of ASB.

36 MATERIALS SCIENCE↗

Binding mechanism and binding free energy of amino acids and citrate to hydroxyapatite surfaces as a function of crystallographic facet, pH, and electrolytes

Hydroxyapatite (HAP) is the major mineral phase in bone and teeth. The interaction of individual amino acids and citrate ions with different crystallographic HAP surfaces has remained uncertain for decades, creating a knowledge gap to rationally design interactions with peptides, proteins, and drugs. In this contribution, we quantify the binding mechanisms and binding free energies of the 20 end-capped natural amino acids and citrate ions on the basal (001) and prismatic (010)/(020) planes of hydroxyapatite at pH values of 7 and 5 for the first time at the molecular scale. We utilized over 1500 steered molecular dynamics simulations with highly accurate potentials that reproduce surface and hydration energies of (hkl) hydroxyapatite surfaces at different pH values. Charged residues demonstrate a much higher affinity to HAP than charge-neutral species due to the formation of superficial ion pairs and ease of penetration into layers of water molecules on the mineral surface. Binding free energies range from 0 to -60 kJ/mol and were determined with ~10% uncertainty. The highest affinity was found for citrate, followed by Asp(-) and Glu(-), and followed after a gap by Arg(+), Lys(+), as well as by His(+) at pH 5. The (hkl)-specific area density of calcium ions, the protonation state of phosphate ions, and subsurface directional order of the ions in HAP lead to surface-specific binding patterns. Amino acids without ionic side groups exhibit weak binding, between -3 and 0 kJ/mol, due to difficulties to penetrate the first layer of water molecules on the apatite surfaces. We explain recognition processes that remained elusive in experiments, in prior simulations, discuss agreement with available data, and reconcile conflicting interpretations. In conclusion, the findings can serve as useful input for the design of peptides, proteins, and drug molecules for the modification of bone and teeth-related materials, as well as control of apatite mineralization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Transmission electron microscopy characterization of the fuel-cladding chemical interactions in HT9 cladded U-10Zr fuel

Fuel cladding chemical interaction (FCCI) is a key phenomenon needs to be better understood to establish the design basis for U-10Zr metallic fuel performance. Characterizing the microstructure and chemical composition of FCCI at micron and sub-micron scale is critically important toward a more mechanistic understanding of FCCI phenomenon and its potential effects on cladding integrity and metallic fuel performance. This paper, by using transmission electron microscopy, investigated the FCCI region in HT9 cladded U-10Zr fuel irradiated to 5.7% FIMA burnup at a peak inner cladding temperature of 615 °C in Fast Flux Test Facility (FFTF). Four distinct layers are identified in the FCCI region. The migration of Fe into the fuel side leads to the formation of several U-Zr-Fe ternary phases, including ?-Fe0.5Zr0.32U0.18, e-Fe0.3Zr0.4U0.3, and ?-Fe0.06Zr0.23U0.71, mingled with UFe2, U6Fe, and U phase at various Fe penetration depth up to ~ 150 µm. On the cladding side, grain coarsening and significant lanthanides infiltration along grain boundaries are observed. Laves phase, (Fe,Cr)2(Mo,W), which typically does not exist in fresh HT9, is identified in a wide radial range in the cladding. The typical HT9 martensitic lath structure and pre-existing M23C6 precipitates disappear, partially or completely, depending on the radial distance from the fuel-cladding interface. Those microstructural and compositional changes could cause mechanical degradation in the HT9 cladding. The present characterization results will improve the understanding of FCCI phenomenon and facilitate the development of microstructure-informed FCCI modeling for metallic fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗