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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 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

CFD studies coupling hydrodynamics and solid‐liquid mass transfer in slug flow for matter removal from tube walls

Organic matter deposition on internal surfaces constitutes a drawback that impairs the efficiency of several industrial processes. To overcome this problem, sparging a train of bubbles could be useful since its presence strongly increases the wall shear stress. A detailed numerical mass‐transfer study between a finite soluble wall and the liquid around a rising Taylor bubble was performed, simultaneously solving velocity and concentration fields. The bubble passage throws solute backward and is responsible for radial dispersion. There is also an increase in the transfer rate with enhancements between 10 and 20% (depending on liquid average velocity and bubble length) compared to single‐phase flow. Mass‐transfer coefficients along the different hydrodynamic regions around the bubble nose, liquid film, and wake were characterized and their values compared with those from literature. The results suggest a promising potential of bubble train flow to enhance organic matter removal from walls in biological systems. © 2016 American Institute of Chemical Engineers AIChE J , 63: 2420–2439, 2017

Silva, Mónica C. F.↗
DOE OSTI2019

Tailoring Microstructure and Properties of a Superelastic Ti–Ta Alloy by Incorporating Spark Plasma Sintering with Thermomechanical Processing

A powder metallurgy Ti–35 at.% Ta alloy was produced using a spark plasma sintering process. The sintered alloy exhibited Ta-rich regions at a sintering temperature of 1100 °C. Complete diffusion of elemental powders was achieved via homogenization heat treatment at 1500 °C for 12 h, but the ductility declined drastically. The brittle behavior of the homogenized sample was due to the high-oxygen content, continuous grain boundary α-phase and high-angle grain boundaries. Excellent mechanical properties were achieved when hot forging was used along with preheating the homogenized specimen at 1100 °C. The mechanisms underlying this phenomenon were suppression of the solid grain boundary α-phase, high fraction of low-angle grain boundaries and dynamic recrystallization. Tensile strength improved to the maximum value of 868 MPa. The strain recovery ratio increased to 90% in the first cycle during a cyclic loading–unloading test. Incomplete strain recovery of the first cycle was due to the presence of the martensite phase (α″).

36 MATERIALS SCIENCE↗
DOE OSTI2016

Tracking interface and common curve dynamics for two-fluid flow in porous media

Pore-scale studies of multiphase flow in porous medium systems can be used to understand transport mechanisms and quantitatively determine closure relations that better incorporate microscale physics into macroscale models. Multiphase flow simulators constructed using the lattice Boltzmann method provide a means to conduct such studies, including both the equilibrium and dynamic aspects. Moving, storing, and analyzing the large state space presents a computational challenge when highly-resolved models are applied. We present an approach to simulate multiphase flow processes in which in-situ analysis is applied to track multiphase flow dynamics at high temporal resolution. We compute a comprehensive set of measures of the phase distributions and the system dynamics, which can be used to aid fundamental understanding and inform closure relations for macroscale models. The measures computed include microscale point representations and macroscale averages of fluid saturations, the pressure and velocity of the fluid phases, interfacial areas, interfacial curvatures, interface and common curve velocities, interfacial orientation tensors, phase velocities and the contact angle between the fluid-fluid interface and the solid surface. Test cases are studied to validate the approach and illustrate how measures of system state can be obtained and used to inform macroscopic theory.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

The persistence of memory in ionic conduction probed by nonlinear optics

Predicting practical rates of transport in condensed phases enables the rational design of materials, devices and processes. This is especially critical to developing low-carbon energy technologies such as rechargeable batteries. For ionic conduction, the collective mechanisms, variation of conductivity with timescales and confinement, and ambiguity in the phononic origin of translation, call for a direct probe of the fundamental steps of ionic diffusion: ion hops. However, such hops are rare-event large-amplitude translations, and are challenging to excite and detect. Here we use single-cycle terahertz pumps to impulsively trigger ionic hopping in battery solid electrolytes. This is visualized by an induced transient birefringence, enabling direct probing of anisotropy in ionic hopping on the picosecond timescale. The relaxation of the transient signal measures the decay of orientational memory, and the production of entropy in diffusion. We extend experimental results using in silico transient birefringence to identify vibrational attempt frequencies for ion hopping. Using nonlinear optical methods, we probe ion transport at its fastest limit, distinguish correlated conduction mechanisms from a true random walk at the atomic scale, and demonstrate the connection between activated transport and the thermodynamics of information.

25 ENERGY STORAGE↗
DOE OSTI2014

Visualizing the Structural Evolution of LSM/xYSZ Composite Cathodes for SOFC by in-situ Neutron Diffraction

Composite cathodes for solid oxide fuel cells, the mixtures of (La0.8Sr0.2)0.95MnO3- (LSM) and (Y2O3)x(ZrO2)1-x (xYSZ, x = 3, 6, 8 and 10), have the thermal stability unraveled at elevated temperatures by using in-situ neutron diffraction. The Rietveld refinement analysis of neutron diffraction visualizes the phase evolutions and the ion activities in the material systems. The phase transition of tetragonal YSZ at T > 900 C leads to a heterogeneous redistribution of Mn ions. The reaction of LSM and YSZ occurring at T > 1100 C was revealed as a three-stage process, yielding La2Zr2O7, SrZrO3 and MnO. The activities of Y, Mn and La ions at elevated temperatures are derived by the structural analysis, and the three-stage reaction of YSZ and LSM was found strongly correlated to ions behaviors.

Chen, Yan↗
DOE OSTI2023

Design of a custom vapor transport co-deposition system for scalable production of perovskite solar cells

Vacuum-deposited perovskites provide a more direct path to manufacturing large area solar cells because of ready compatibility with multilayered architectures and historic use in the electronics industry. However, vacuum compatible co-deposition of organic-inorganic perovskites remains difficult due to issues of precisely controlling the organic precursor flux. Here, we demonstrate a manufacturing prototype specifically designed for co-depositing organic-inorganic perovskites and evaluate it with respect to the influence of process parameters on film growth. Through depositing and characterizing methylammonium lead iodide (MAPbI3) perovskite films, we highlight the necessary design requirements while measuring the influence of film growth parameters on deposition rate and perovskite phases.

14 SOLAR ENERGY↗
DOE OSTI2015

GRIZZLY Model of Multi-Reactive Species Diffusion, Moisture/Heat Transfer and Alkali-Silica Reaction for Simulating Concrete Aging and Degradation

Concrete is widely used in the construction of nuclear facilities because of its structural strength and its ability to shield radiation. The use of concrete in nuclear power plants for containment and shielding of radiation and radioactive materials has made its performance crucial for the safe operation of the facility. As such, when life extension is considered for nuclear power plants, it is critical to have accurate and reliable predictive tools to address concerns related to various aging processes of concrete structures and the capacity of structures subjected to age-related degradation. The goal of this report is to document the progress of the development and implementation of a fully coupled thermo-hydro-mechanical-chemical model in GRIZZLY code with the ultimate goal to reliably simulate and predict long-term performance and response of aged NPP concrete structures subjected to a number of aging mechanisms including external chemical attacks and volume-changing chemical reactions within concrete structures induced by alkali-silica reactions and long-term exposure to irradiation. Based on a number of survey reports of concrete aging mechanisms relevant to nuclear power plants and recommendations from researchers in concrete community, we’ve implemented three modules during FY15 in GRIZZLY code, (1) multi-species reactive diffusion model within cement materials; (2) coupled moisture and heat transfer model in concrete; and (3) anisotropic, stress-dependent, alkali-silica reaction induced swelling model. The multi-species reactive diffusion model was implemented with the objective to model aging of concrete structures subjected to aggressive external chemical attacks (e.g., chloride attack, sulfate attack, etc.). It considers multiple processes relevant to external chemical attacks such as diffusion of ions in aqueous phase within pore spaces, equilibrium chemical speciation reactions and kinetic mineral dissolution/precipitation. The moisture/heat transfer module was implemented to simulate long-term spatial and temporal evolutions of the moisture and temperature fields within concrete structures at both room and elevated temperatures. The ASR swelling model implemented in GRIZZLY code can simulate anisotropic expansions of ASR gel under either uniaxial, biaxial and triaxial stress states, and can be run simultaneously with the moisture/heat transfer model and coupled with various elastic/inelastic solid mechanics models that were implemented in GRIZZLY code previously. This report provides detailed descriptions of the governing equations, constitutive equations and numerical algorithms of the three modules implemented in GRIZZLY during FY15, simulation results of example problems and model validation results by comparing simulations with available experimental data reported in the literature. The close match between the experiments and simulations clearly demonstrate the potential of GRIZZLY code for reliable evaluation and prediction of long-term performance and response of aged concrete structures in nuclear power plants.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Metallic Technetium Sequestration in Nickel Core/Shell Microstructure during Fe(OH)2 Transformation with Ni doping

This study investigates the impacts of Ni doping on technetium-99 (Tc) sequestration in aqueous solutions through transformation of Fe(OH)2(s) to iron spinel (magnetite) under alkaline conditions. Extensive solid characterization was performed for the mineral phases produced, as well as the Tc/Ni speciation and distribution within these phases. X-ray diffraction results show that iron spinel was the dominant mineral product without detectable Ni incorporation. The doped Ni ions mainly precipitated as fine Fe/Ni oxide/hydroxide particles, including strongly reduced nanometer?sized spheroidal Ni-rich and metallic Ni phases. High-resolution analytical scanning transmission electron microscopy using energy dispersive X-ray spectroscopy and electron energy loss spectroscopy on the produced solid samples (focused ion beam-prepared specimens) revealed three Tc distribution domains dominated by nanocrystals and, especially, a Tc-rich metallic phase. Instances of metallic Tc were specifically found in spheroidal, Ni-rich and metallic nanoparticles exhibiting a core/shell microstructure that suggests strong reduction and sequential precipitation of Ni-Tc-Ni. Mass balance analysis showed nearly 100% Tc removal from the 4.8 × 10-4 M Tc solutions. The finding of the metallic Tc encapsulation indicates that Tc sequestration through Ni-doped Fe(OH)2(s)?to?iron spinel transformation process likely provides an alternative treatment pathway for Tc removal and could be combined into further waste treatment approaches.

Wang, Guohui↗
DOE OSTI2019

Determining Surface Energy of Porous Substrates by Spray Ionization

In this work, we have developed a new spray-based method for characterizing surface energies of planar, porous substrates. Distinct spray modes (electrospray versus electrostatic spray), from the porous substrates, occur in the presence of an applied DC potential after wetting with solvents of different surface tension. The ion current resulting from the spray process is maximized when the surface energy of the porous substrate approaches the surface tension of the wetting solvent. By monitoring the selected ion current (e.g., benzoylecgonine, m/z 290 → 168) with a mass spectrometer or the total ion current with an ammeter, we determined the solvent surface tension yielding the maximum ion current to indicate the surface energy of the solid. Detailed evaluations using polymeric substrates of known surface energies enabled effective calibration of the approach that resulted in the correct estimation of the surface energy of hydrophobic paper substrates prepared by gas-phase silanization. A three-parameter empirical model suggests that the experimentally observed ion current profile is governed by differential partitioning of analyte controlled by the interfacial forces between the wetting solvent and the porous substrate.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The transformation of diamond to graphite: Experiments reveal the presence of an intermediate linear carbon phase

Natural diamonds that have been partially replaced by graphite have been observed to occur in natural rocks. While the graphite-to-diamond phase transition has been extensively studied the opposite of this (diamond to graphite) remains poorly understood. We performed high-pressure and temperature hydrous and anhydrous experiments up to 1.0 GPa and 1300 °C using Amplex premium virgin synthetic diamonds (20–40 μm size) as the starting material mixed with Mg(OH) 2 as a source of H 2 O for the hydrous experiments. The experiments revealed that the diamond-to-graphite transformation at P = 1.0 GPa and T = 1300 °C was triggered by the presence of H 2 O and was accomplished through a three-stage process. Stage 1: diamond reacts with a supercritical H 2 O producing an intermediate 200–500 nm size “globular carbon” phase. This phase is a linear carbon chain; i.e. a polyyne or carbyne. Stage 2: the linear carbon chains are unstable and highly reactive, and they decompose by zigzagging and cross-linking to form sp 2 -hybridized structures. Stage 3: normal, disordered, and onion-like graphite is produced by the decomposition of the sp-hybridized carbon chains which are re-organized into sp 2 bonds. Our experiments show that there is no direct transformation from sp 3 C-bonds into sp 2 C-bonds. Our hydrous high-pressure and high-temperature experiments show that the diamond-to-graphite transformation requires an intermediate metastable phase of a linear hydrocarbon. This process also provides a simple mechanism for the substitution of other elements into the graphite structure (e.g. H, S, O).

36 MATERIALS SCIENCE↗
DOE OSTI2020

Exploring the relationship between solvent-assisted ball milling, particle size, and sintering temperature in garnet-type solid electrolytes

Garnet-type solid electrolytes, such as Li 6.4 La 3 Zr 1.4 Ta 0.6 O 12 (LLZTO), are promising materials for solid-state batteries, but processing remains a challenge, in part due to the high sintering temperature required for densification. Additionally, this temperature can be lowered by decreasing the initial particle size via solvent-assisted ball milling, but the relationship between solvent choice, particle properties, sintering behavior, and ionic conductivity is not well understood. In this work, we systematically explore these parameters, showing that milling in commonly used protic solvents, such as alcohols, effectively decreases the particle size but results in lithium loss (through Li + /H + exchange) that leads to poor sintering. By contrast, milling in aprotic solvents with surfactant reduces the particle size to ~220 nm without lithium loss, enabling the fabrication of dense samples (5.1 g/cm 3 ) with good ionic conductivity (0.43 mS/cm at 25 °C) at a lower sintering temperature (1000 °C). We compare ionic conductivities and activation energies for samples prepared with different particle sizes and sintering temperatures and use multiphase-field simulations to identify the mass transport and microstructural mechanisms responsible for the observed sintering dependence on particle size. These results further clarify the relationship between processing parameters and performance and represent important progress toward overcoming fabrication challenges for these materials.

25 ENERGY STORAGE↗
DOE OSTI2013

Preparation and Initial Characterization of Fluidized Bed Steam Reforming Pure-Phase Standards

Hanford is investigating the Fluidized Bed Steam Reforming (FBSR) process for their Low Activity Waste. The FBSR process offers a low-temperature continuous method by which liquid waste can be processed with the addition of clay into a sodium aluminosilicate (NAS) waste form. The NAS waste form is mainly comprised of nepheline (NaAlSiO 4 ), sodalite (Na 8 [AlSiO 4 ] 6 Cl 2 ), and nosean (Na 8 [AlSiO 4 ] 6 SO 4 ). Anions such as perrhenate (ReO 4 - ), pertechnetate (TcO 4 - ), and iodine (I - ) are expected to replace sulfate in the nosean structure and/or chloride in the sodalite mineral structure (atomically bonded inside the aluminosilicate cages that these mineral structures possess). In the FBSR waste form, each of these phases can exist in a variety of solid solutions that differ from the idealized forms observed in single crystals in nature. The lack of understanding of the durability of these stoichiometric or idealized mineral phases complicates the ability to deconvolute the durability of the mixed phase FBSR product since it is a combination of different NAS phases. To better understand the behavior, fabrication and testing of the individual phases of the FBSR product is required. Analytical Development (AD) of the Science and Technology directorate of the Savannah River National Laboratory (SRNL) was requested to prepare the series of phase-pure standards, consisting of nepheline, nosean, and Cl, Re, and I sodalite. Once prepared, X-ray Diffraction (XRD) analyses were used to confirm the products were phase pure. These standards are being used for subsequent characterization studies consisting of the following: single-pass flow-through (SPFT) testing, development of thermodynamic data, and x-ray diffraction (XRD) calibration curves. In addition to the above mentioned phase-pure standards, AD was tasked with fabricating a mixed Tc-Re sodalite.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

Dry anaerobic digestion of cow manure and agricultural products in a full-scale plant: Efficiency and comparison with wet fermentation

Highlights: • The first full-scale, agricultural dry fermentation plant of Italy was monitored. • Recirculation rate, leachate, biogas and energy production were monitored. • Dry fermentation showed biogas yields similar to wet. • Retention time, recirculation of digestate and leachate are key factors. • Plant operation required significant man labor (loading and unloading of reactors). - Abstract: For years, anaerobic digestion processes have been implemented for the management of organic wastes, agricultural residues, and animal manure. Wet anaerobic digestion still represents the most common technology, while dry fermentation, dedicated to the treatment of solid inputs (TS > 20%) can be considered as an emerging technology, not in terms of technological maturity, but of diffusion. The first agricultural dry anaerobic digestion plant constructed in Italy was monitored from the start-up, for over a year. The plant was fed with manure and agricultural products, such as corn silage, triticale, ryegrass, alfalfa, and straw. Three Combined Heat and Power units, for a total installed power of 910 kW{sub e}, converted biogas into thermal and electric energy. The monitoring included the determination of quality and quantity of input feedstocks, of digestate (including recirculation rate), of leachate, biogas quality (CH{sub 4}, CO{sub 2}, H{sub 2}S), biogas yield, energy production, labor requirement for loading, and unloading operations. The results of the monitoring were compared to performance data obtained in several full scale wet digestion plants. The dry fermentation plant revealed a start-up phase that lasted several months, during which the average power resulted in 641 kW{sub e} (70.4% of nominal power), and the last period the power resulted in 788 kW{sub e} (86.6% of installed power). Improving the balance of the input, the dry fermentation process demonstrated biogas yields similar to wet anaerobic digestion, congruent to the energy potential of the biomasses used in the process. Furthermore, the operation of the plant required significant man labor, mainly related to loading and unloading of the anaerobic cells.

09 BIOMASS FUELS↗
DOE OSTI2018

Assessment of the subcutaneous degradation process of insoluble hyaluronic acid in rats

Highlights: • Assessment of the subcutaneous degradation process of insoluble hyaluronic acid. • The speed of degradation of in vivo insoluble hyaluronic acid membranes varies depending on their swelling rate. • The process of degradation of insoluble hyaluronic acid in the subcutaneous over time was elucidated. Insoluble hyaluronic acid (IHA) may prevent adhesions by forming a physical barrier during the period when postoperative adhesions form. This study was performed to verify the changes that a solid IHA membrane undergoes as it is degraded in vivo, and to ascertain the swelling rate of IHA required for it to function as a physical barrier during the postoperative adhesion formation period. Nine female WI rats weighing 300–400 g were used. Discs 8 mm in diameter were cut out of dry IHA membranes made of IHA with a swelling rate (wet weight/dry weight) of either 2.47 (high-swelling IHA) or 1.94 (low-swelling IHA). They were placed in saline to swell and then washed with saline before subcutaneous implantation in four pockets in each rat. The high-swelling IHA started to degrade more rapidly than the low-swelling IHA. There was no evidence of degradation of the low-swelling IHA until day 7, but once it had started, the speed of degradation tended to be similar to that of the high-swelling IHA. The present results showed that, when IHA is implanted subcutaneously in rats, it is degraded over time in a phased process. The swelling rate required for the use of IHA as a postoperative adhesion barrier was also suggested.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Investigating dry room compatibility of sulfide solid-state electrolytes for scalable manufacturing

All-solid-state batteries (ASSBs) are viewed as promising next-generation energy storage devices, due to their enhanced safety by replacing organic liquid electrolytes with non-flammable solid-state electrolytes (SSEs). The high ionic conductivity and low Young's modulus of sulfide SSEs make them suitable candidates for commercial ASSBs. Nevertheless, sulfide SSEs are generally reported to be unstable in ambient air. Moreover, instead of gloveboxes used for laboratory scale studies, large scale production of batteries is usually conducted in dry rooms. Thus, this study aims to elucidate the chemical evolution of a sulfide electrolyte, Li 6 PS 5 Cl (LPSCl), during air exposure and to evaluate its dry room compatibility. When LPSCl is exposed to ambient air, hydrolysis, hydration, and carbonate formation can occur. Moreover, hydrolysis can lead to irreversible sulfur loss and therefore LPSCl cannot be fully recovered in the subsequent heat treatment. During heat treatment, exposed LPSCl undergoes dehydration, decomposition of carbonate species, and reformation of the LPSCl phase. Lastly, LPSCl was found to exhibit good stability in a dry room environment and was subject to only minor conductivity loss due to carbonate formation. The dry room exposed LPSCl sample was tested in a LiNi 0.8 Co 0.1 Mn 0.1 O 2 |LiIn half-cell, exhibiting no significant loss of electrochemical performance compared with the pristine LPSCl, proving it to be compatible with dry room manufacturing processes.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The Toughness of Interlocking Metasurfaces

Interlocking metasurfaces (ILMs) are arrays of autogenous latching unit cells patterned across a surface. These create structural joints similar to bioinspired suture joints but patterned over a 2D surface rather than a 1D seam. This enables ILMs to be an alternative to conventional joining technologies such as bolts, welds, and adhesives. However, compared to conventional joining methods, relatively little is known of the engineering considerations for designing structural ILMs. Herein, the interfacial toughness of an archetypal ILM is examined for the first time. Under the conditions studied here, the ILM is substantially tougher than the material from which it is made, in this case, exhibiting up to a 50% increase in interfacial crack initiation energy over the solid base material, a photocured 3D‐printed polymer. Through experimental tests using in‐situ digital image correlation along with complementary computational analyses, the mechanism of toughening in the ILM structure and the origins of toughness anisotropy are revealed. The increase in toughness is associated with cross‐cell interactions, that is, load‐sharing across unit cells, which give rise to a finite process zone length with different effective material properties. In this way, ILM toughening is analogous to crack blunting in ductile materials or fiber bridging in composites; yet here, the ILM is composed of a single‐phase base material and so the architected toughening is geometric in nature and hence amenable to future topological optimization.

fracture↗