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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Unraveling the Interfacial Structure–Performance Correlation of Flexible Metal–Organic Framework Membranes on Polymeric Substrates

Pure metal–organic framework (MOF) layers deposited on porous supports are important candidates for molecular sieving membranes, but their performance usually deviates from theoretical estimations. Here, we combine stepwise scanning electron microscopy imaging, time-resolved synchrotron X-ray scattering, terahertz infrared spectroscopy, and density functional theory calculation to investigate the ZIF-8 membrane formation on two types (polydopamine and TiO2) of functionalized porous supports. Though molecular sieving of ZIF-8 membranes for smaller gases (He, H 2 , and CO 2 ) can be achieved with both types of functionalized supports, we unravel that the strong interaction between MOF and polydopamine can disrupt the formation of “perfect” MOF crystals at the interface, leading to a “contracted” MOF structure with partially uncoordinated imidazolate ligands. This further affects the low-frequency dynamical parameters of the framework and inhibits the effective seeded growth. Eventually, it leads to an unexpected loss of selectivity for the bulkier gases (N 2 and CH 4 ) for ZIF-8 on polydopamine-functionalized supports. This work links the dynamical aspects of MOFs with their gas transport behavior and highlights the importance of regulating the interfacial weak forces to preserve the ideal molecular sieving efficiency of MOF membranes, which a

36 MATERIALS SCIENCE↗
DOE OSTI2023

Shear deformation of pure-Cu and Cu/Nb nano-laminates using micromechanical testing

Solid phase processing by introducing shear deformation into materials can result in unique microstructure evolution and enhanced mechanical properties, especially for immiscible systems such as Cu/Nb. To better understand the correlation between microstructure and deformation behavior during shear, a dedicated testing design of stress localization at predicted sites is necessary. In this study, a specialized S-shaped specimen geometry is implemented to apply localized simple-shear loading in pure-Cu and Cu/Nb accumulative roll-bonded nanolaminates. The nanoscale microstructure and proximity of interfaces in Cu/Nb offer a ~2.8-fold increase in shear stresses than pure-Cu. In pure-Cu, the plastic instability causes shear banding and an in-plane lattice rotation. In Cu/Nb, a partial bending of the interfaces occurred, resulting in a localized lattice rotation. The adapted geometry for micro-scale specimens thus successfully captures the shear deformation at predicted sites in two distinct material systems and could potentially be a powerful technique to study the deformation mechanisms.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Tuning the Lifetimes of Photoinduced Deligation in a Metal–Organic Framework via Linker Functionalization

Recently photoinduced dynamic ligation in a metal–organic frameworks (MOFs) was reported, where a long-lived charge-transfer excited state (ca. 30 μs) featuring partial dissociation between the carboxylate linker and metal-based node was probed by time-resolved infrared (TRIR) spectroscopy. The study offers a new mechanistic perspective to evaluate the potential contribution from the excited state molecular configuration to the performance of MOF photocatalysts. In this work, by employing MIL-101(Fe) as the study platform, we have further explored the influence of intramolecular interactions on the stability of relevant excited states and demonstrated the effective tuning of their lifetimes through the incorporation of different functional groups into the system. The correlations between the varied excited state lifetimes and coordination configurations with specific functional groups (−NH 2 or −NO 2 ) was inferred from the analyses of infrared spectroscopic data and theoretical calculations, revealing the essential role of the intramolecular interactions (i.e., between the added functional groups and the carboxylate group) in the modulation of system energetics. Overall, the work presents a pathway to tune the excited state dynamics and expands the knowledge regarding the photoinduced dynamic ligation in carboxylate-based MOFs.

excited states↗
DOE OSTI2022

First-Principles Calculations of the Structural, Electronic, Optical, and Mechanical Properties of 21 Pyrophosphate Crystals

Pyrophosphate crystals have a wide array of applications in industrial and biomedical fields. However, fundamental understanding of their electronic structure, optical, and mechanical properties is still scattered and incomplete. In the present research, we report a comprehensive theoretical investigation of 21 pyrophosphates A 2 M (H 2 P 2 O 7 ) 2 •2H 2 O with either triclinic or orthorhombic crystal structure. The molecule H 2 P 2 O 7 is the dominant molecular unit, whereas A = (K, Rb, NH 4 , Tl), M = (Zn, Cu, Mg, Ni, Co, Mn), and H 2 O stand for the cation elements, transition metals, and the water molecules, respectively. The electronic structure, interatomic bonding, partial charge distribution, optical properties, and mechanical properties are investigated by first-principles calculations based on density functional theory (DFT). Most of these 21 crystals are theoretically investigated for the first time. The calculated results show a complex interplay between A, M, H 2 P 2 O 7 , and H 2 O, resulting in either metallic, half-metallic, or semi-conducting characteristics. The novel concept of total bond order density (TBOD) is used as a single quantum mechanical metric to characterize the internal cohesion of these crystals to correlate with the calculated properties, especially the mechanical properties. This work provides a large database for pyrophosphate crystals and a road map for potential applications of a wider variety of phosphates.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Net Electronic Charge as an Effective Electronic Descriptor for Oxygen Release and Transport Properties of SrFeO 3 -based Oxygen Sorbents

Perovskite oxides, as oxygen sorbents, exhibit excellent potential in thermochemical redox applications such as chemical looping air separation (CLAS), resulting from their excellent redox properties and high tunability. The structural and compositional flexibility of perovskites, while making these mixed oxides highly versatile, also poses challenges for their design and optimization. Moreover, the elevated operating temperature and dynamic oxygen partial pressure swings during redox processes add additional complications for oxygen sorbent design. From a fundamental standpoint, finding simple yet effective descriptors for the effect of cation substitutions on oxygen sorbents’ redox and oxygen transport properties are of significant importance for rational optimization of perovskite-based oxygen sorbents. In the present study, a series of A/B-site-doped SrFeO 3-δ perovskites are investigated using density functional theory (DFT) + U simulations. From these simulations, an effective electronic structural descriptor, the net electronic charge (Δe) of oxygen anions, is extracted based on its excellent correlations with vacancy formation energy, experimentally derived oxygen capacity, and oxygen vacancy migration barrier. Overall, these findings provide an effective tool to correlate the oxygen sorbents’ redox performances with a simple yet physically meaningful descriptor for rational design and optimization of perovskites in the context of CLAS.

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

Role of Surface Termination in the Metal–Insulator Transition of V 2 O 3 (0001) Ultrathin Films

Surface termination is known to play an important role in determining the physical properties of materials. It is crucial to know how surface termination affects the metal–insulator transition (MIT) of V 2 O 3 films for both fundamental understanding and its applications. By changing growth parameters, we achieved a variety of surface terminations in V 2 O 3 films that are characterized by low-energy electron diffraction (LEED) and photoemission spectroscopy techniques. Depending upon the terminations, our results show that MIT can be partially or fully suppressed near the surface region due to the different fillings of the electrons at the surface and subsurface layers and the change of screening length compared to the bulk. Across MIT, a strong redistribution of spectral weight and its transfer from a high-to-low-binding energy regime is observed in a wide energy scale. Our results show that the total spectral weight in the low-energy regime is not conserved across MIT, indicating a breakdown of the “sum rules of spectral weight”, signature of a strongly correlated system. Such a change in spectral weight is possibly linked to the change in hybridization, lattice volume (i.e., effective carrier density), and the spin degree of freedom in the system that occurs across MIT. We find that MIT in this system is strongly correlation-driven, where the electron–electron interactions play a pivotal role. Furthermore, our results provide better insight into the understanding of the electronic structure of strongly correlated systems and highlight the importance of accounting for surface effects during interpretation of the physical property data mainly using surface-sensitive probes, such as surface resistivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Ni/NiO Reference Electrode Potential Measurements in Molten CaCl 2 –CaO

A direct oxide reduction (DOR) process is used to reduce PuO 2 to Pu metal via Ca metal. Molten CaCl 2 is commonly used as the electrolyte for this reaction. As the DOR reaction proceeds, CaO accumulates in the salt and must be measured in real-time to know when the reaction has gone to completion. Open circuit potential (OCP) was measured in this report between a reference electrode consisting of Ni/NiO contained in a MgO tube and a tungsten working electrode. Two methods of CaO additions were performed over several experiments, and both methods correlated to a 0.11 to 0.23 V decrease in OCP up to 14.4 wt% CaO. CaO concentrations were separately measured via sampling and acid-base titration. A plot of OCP versus concentration of CaO fits the Nernst equation with the CaO powder additions up to 5.2 wt% and also at the higher end of the CaO pellet concentration range. While the MgO tubes were observed to be structurally stable in the molten salt, scanning electron microscopy and energy dispersive X-ray spectroscopy showed that Mg in the tubes had been partially replaced with Ca.

36 MATERIALS SCIENCE↗
NASA NTRS1997

Hypovolemia in syncope and orthostatic intolerance role of the renin-angiotensin system

PURPOSE: Orthostatic intolerance is the cause of significant disability in otherwise normal patients. Orthostatic tachycardia is usually the dominant hemodynamic abnormality, but symptoms may include dizziness, visual changes, discomfort in the head or neck, poor concentration, fatigue, palpitations, tremulousness, anxiety and, in some cases, syncope. It is the most common disorder of blood pressure regulation after essential hypertension. There is a predilection for younger rather than older adults and for women more than men. Its cause is unknown; partial sympathetic denervation or hypovolemia has been proposed. METHODS AND MATERIALS: We tested the hypothesis that reduced plasma renin activity, perhaps from defects in sympathetic innervation of the kidney, could underlie a hypovolemia, giving rise to these clinical symptoms. Sixteen patients (14 female, 2 male) ranging in age from 16 to 44 years were studied. Patients were enrolled in the study if they had orthostatic intolerance, together with a raised upright plasma norepinephrine (> or = 600 pg/mL). Patients underwent a battery of autonomic tests and biochemical determinations. RESULTS: There was a strong positive correlation between the blood volume and plasma renin activity (r = 0.84, P = 0.001). The tachycardic response to upright posture correlated with the severity of the hypovolemia. There was also a correlation between the plasma renin activity measured in these patients and their concomitant plasma aldosterone level. CONCLUSIONS: Hypovolemia occurs commonly in orthostatic intolerance. It is accompanied by an inappropriately low level of plasma renin activity. The degree of abnormality of blood volume correlates closely with the degree of abnormality in plasma renin activity. Taken together, these observations suggest that reduced plasma renin activity may be an important pathophysiologic component of the syndrome of orthostatic intolerance.

Non-NASA Center↗
NASA NTRS2010

Ares I-X Flight Evaluation Tasks in Support of Ares I Development

NASA s Constellation Program successfully launched the Ares I-X Flight Test Vehicle on October 28, 2009. The Ares I-X flight was a development flight test that offered a unique opportunity for early engineering data to impact the design and development of the Ares I crew launch vehicle. As the primary customer for flight data from the Ares I-X mission, the Ares Projects Office established a set of 33 flight evaluation tasks to correlate fight results with prospective design assumptions and models. Included within these tasks were direct comparisons of flight data with pre-flight predictions and post-flight assessments utilizing models and modeling techniques being applied to design and develop Ares I. A discussion of the similarities and differences in those comparisons and the need for discipline-level model updates based upon those comparisons form the substance of this paper. The benefits of development flight testing were made evident by implementing these tasks that used Ares I-X data to partially validate tools and methodologies in technical disciplines that will ultimately influence the design and development of Ares I and future launch vehicles. The areas in which partial validation from the flight test was most significant included flight control system algorithms to predict liftoff clearance, ascent, and stage separation; structural models from rollout to separation; thermal models that have been updated based on these data; pyroshock attenuation; and the ability to predict complex flow fields during time-varying conditions including plume interactions.

Huebner, Lawrence D.↗
DOE OSTI2019

Thermal Decomposition Synthesis of MgFe{sub 2}O{sub 4} Nanoparticles for Magnetic Hyperthermia

In this work, the effects of the thermal decomposition temperature and time on the structure, cation distributions, magnetic properties, and AC magnetically induced heating characteristics of MgFe{sub 2}O{sub 4} nanoparticles were investigated. The structure and cation distributions between the tetrahedral and octahedral sites determined by X-ray diffraction method showed single-phase MgFe{sub 2}O{sub 4} nanoparticles had a partially inverse structure. The inversion coefficient increased using high reaction temperature and time. The square-like shape and small magnesium ferrite nanoparticles with narrow particle size distribution were synthesized at high reaction temperatures, as observed by transmission electron microscopy. Magnetic properties of MgFe{sub 2}O{sub 4} nanoparticles studied by vibrating sample magnetometry showed the ferrimagnetic characteristics with the highest saturation magnetization of 24 emu/g at a reaction temperature of 300 °C for 60 min. Furthermore, the AC magnetically induced heating characteristics of MgFe{sub 2}O{sub 4} nanoparticles were correlated to the saturation magnetization and coercivity.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Guided Ion Beam and Quantum Chemical Investigation of the Thermochemistry of Thorium Dioxide Cations: Thermodynamic Evidence for Participation of f Orbitals in Bonding

Kinetic energy dependent reactions of ThO + with O 2 are studied using a guided ion beam tandem mass spectrometer. The formation of ThO 2 + in the reaction of ThO + with O 2 is observed to be slightly endothermic and also exhibits two obvious features in the cross section. These kinetic energy dependent cross sections were modeled to determine a 0 K bond dissociation energy of D 0 (OTh + - O) = 4.94 ± 0.06 eV. This value is slightly larger but within experimental uncertainty of less precise previously reported experimental values. The higher energy feature in the ThO 2 + cross section was also analyzed and suggests formation of an excited state of the product ion lying 3.1 ± 0.2 eV above the ground state. Additionally, the thermochemistry of ThO 2 + was explored by quantum chemical calculations, including a full Feller-Peterson-Dixon (FPD) composite approach with correlation contributions up to CCSDT(Q) and four-component spin-orbit corrections, as well as more approximate CCSD(T) calculations including semiempirical estimates of spin-orbit energy contributions. The FPD approach predicts D 0 (OTh + -O) = 4.87 ± 0.04 eV, in good agreement with the experimental value. Analogous FPD results for ThO+, ThO, and ThO 2 are also presented, including ionization energies for both ThO and ThO 2 . The ThO 2 + bond energy is larger than those of its transition metal congeners, TiO 2 + and ZrO 2 + , which can be attributed partially to an actinide contraction, but also to contributions from the participation of f orbitals on thorium that are unavailable to the transition metal systems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Solute effects upon dislocation motion and recovery in Mg alloys (Final Report)

The objective the research was to develop a firmer understanding of the interactions between substitutional solute atoms and dislocations within Mg alloys. These interactions govern the absolute and relative mobilities of various types of dislocations in Mg (e.g., basal < a>, non-basal < a>, and pyramidal < c+a>). Furthermore, they have an impact on dislocation recovery processes (e.g., cross-glide, climb, rearrangement, and annihilation). Ultimately, solute-dislocation interactions strongly impact a) strain hardening, b) strain rate sensitivity, c) plastic anisotropy of textured polycrystals, d) texture evolution, e) dislocation substructures evolution, and even f) recrystallization behavior. It is broadly known that Mg alloys exhibit poor low temperature formability. Since formability is largely governed by properties (a) – (c) in this list, it is critical to develop a better understanding of solute-dislocation interactions, if one hopes to improve the situation. While the theory of static solute strengthening is well developed, especially for alloys with face centered cubic (FCC) crystal structures, there are outstanding questions related to applications to hexagonal close packed (HCP) crystal structures and dynamic strain aging (DSA) in materials of various structures. DSA has far-reaching implications for metal formability and, in the case of Mg alloys, appears to correlate with the so-called rare-earth (RE) texture which has been shown to benefit formability. The Portevin-Le Chatelier (PLC) effect, and associated negative strain rate sensitivity, occur at higher temperatures (>100℃) in Mg alloys as compared with similar Al alloys, even though they have similar melting points and solute diffusivities. Our preliminary research has shown that modern, physics-based models of DSA can be tuned to describe the behavior of Mg alloys if a rather higher activation enthalpy is assumed for cross-core diffusivity. While this partially explains the delay in DSA to higher temperatures, it is also hypothesized that this delay is due in part to the intrinsically more thermally activated (rate sensitive) nature of non-basal < a> dislocation motion which is required for macroscopic flow of Mg alloys, whereas octahedral slip in many FCC metals like aluminum is essentially athermal at room temperature. It was originally proposed to employ a combination of in-situ diffraction-based experimental characterization to validate existing theory. It was envisioned to perform in-situ transmission electron microscopy (TEM) to assess individual dislocation behavior and in-situ high-energy X-ray diffraction (HEXRD) techniques which were showing great promise for elucidating collective dislocation behavior, 2 including recovery, especially if the contributions to various forms of diffraction peak broadening (𝜂𝜂,𝜔𝜔,and 2𝜃𝜃) can be effectively integrated. Finally, it was envisioned to perform discrete dislocation dynamics (DDD) modeling approaches to aide in the interpretation of both TEM and HEXRD experiments. In the end, mechanical tests were performed on more complex Mg alloys which exhibited evidence of dynamic strain aging, and this led to the establishment of another project. Mechanical test data obtained at McMaster University served as the basis of an assessment of the applicability of Bazinski’s “stress equivalence” theory of solute strengthening to polycrystalline alloys of Mg. Although we did not succeed in applying the approach to Mg alloys, we did develop expertise with the HEXRD approach using a BCC, β-Ti alloy and demonstrated numerous new capabilities that may be applied to any polycrystalline material in collaboration with researchers at CHESS and around the world: (1) assessment of details of the elastoplastic transition (yielding) using a combination of HEXRD and full-field polycrystal plasticity modeling, (2) the first-ever experimental observation of strong stress rotation within the individual grains of a polycrystalline material, and (3) a comprehensive analysis of the grain-level dislocation density evolution based upon diffraction peak broadening along 𝜂𝜂,𝜔𝜔,and 2𝜃𝜃 directions. This final aspect allowed us to confirm that dislocations were gliding on multiple plane types and not restricted to {110} type planes, and it also provided clues as to why some grains were unloading during straining, with surprising implications for our understanding of the effects of geometrically necessary dislocations (GNDs). Finally, graduate student, Mohammed Shabana, developed a MATLAB code which confirmed the conclusions of Prof. Catalin Picu (Rensallear Polytechnic Institute, RPI) regarding the effect of solute-trapped, forest dislocations on the breaking stress of Lomer lock junctions in FCC metal alloys. He applied the same anisotropic line-tension model to a variety of dislocation junction configurations and found an inconsistency in the widely cited results of Dupuy and Fivel regarding the Hirth Lock, and he outlined an approach to extend these finding to HCP Mg alloys that we are still pursuing with discretionary fundings at UVA.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Development of a Composite Material Aerodynamic Demise Model for the Object Reentry Survival Analysis Tool (ORSAT)

The reentry demise of fiber-reinforced polymer (FRP) composites is an increasing concern for modern spacecraft at end of life. Unlike traditional materials such as metals, shredding of the material by aerodynamic forces appears to be a major component of the reentry demise mechanism. This paper will describe a new mechanical, strength-based, material demise model for the Object Reentry Survival Analysis Tool (ORSAT) Version 7.1. The model is based on laboratory in-situ and residual strength tests of several FRP materials performed during the NASA Orbital Debris Program Office’s Phase II Composite Material Demise test campaign. To test the residual strength of partially charred FRP materials, the authors tested 107 rectangular shaped samples of different thicknesses that were previously exposed to high-enthalpy flow at the University of Texas at Austin’s Inductively Coupled Plasma Torch facility. Tests were performed under normal atmospheric conditions at NASA Johnson Space Center’s Experimental Impact Laboratory using a Chatillon TCD1000 tensile test machine configured with a three-point bending jig. Mean fracture load, residual strength, delamination, and flexural modulus were measured for each test. An engineering model of aeromechanical demise for each material was developed by correlating the measured residual strength of the samples with the duration and magnitude of the applied heat flux and the mass loss and char progression. This model has been implemented in ORSAT 7.1 for the built-in, charring carbon fiber/epoxy and charring glass fiber/epoxy material models. The new model was verified by calculating the demise of hundreds of FRP composite fragments of various shapes and sizes and checking the calculations for consistency, with specific focus on material characterization in one-dimension. Further tests are planned in hypersonic flow facilities to validate the assumptions used in the model.

Priscilla A. Mendoza↗
NASA NTRSDate not supplied

Development of a Composite Material Aerodynamic Demise Model for the Object Reentry Survival Analysis Tool (ORSAT)

The reentry demise of fiber-reinforced polymer (FRP) composites is an increasing concern for modern spacecraft at end of life. Unlike traditional materials such as metals, shredding of the material by aerodynamic forces appears to be a major component of the reentry demise mechanism. This paper will describe a new mechanical, strength-based, material demise model for the Object Reentry Survival Analysis Tool (ORSAT) Version 7.1. The model is based on laboratory in-situ and residual strength tests of several FRP materials performed during the NASA Orbital Debris Program Office’s Phase II Composite Material Demise test campaign. To test the residual strength of partially charred FRP materials, the authors tested 107 rectangular shaped samples of different thicknesses that were previously exposed to high-enthalpy flow at the University of Texas at Austin’s Inductively Coupled Plasma Torch facility. Tests were performed under normal atmospheric conditions at NASA Johnson Space Center’s Experimental Impact Laboratory using a Chatillon TCD1000 tensile test machine configured with a three-point bending jig. Mean fracture load, residual strength, delamination, and flexural modulus were measured for each test. An engineering model of aeromechanical demise for each material was developed by correlating the measured residual strength of the samples with the duration and magnitude of the applied heat flux and the mass loss and char progression. This model has been implemented in ORSAT 7.1 for the built-in, charring carbon fiber/epoxy and charring glass fiber/epoxy material models. The new model was verified by calculating the demise of hundreds of FRP composite fragments of various shapes and sizes and checking the calculations for consistency, with specific focus on material characterization in one-dimension. Further tests are planned in hypersonic flow facilities to validate the assumptions used in the model.

Priscilla A. Mendoza↗
NASA NTRS2007

Correlation between Mechanical Behavior and Actuator-type Performance of Ni-Ti-Pd High-temperature Shape Memory Alloys

High-temperature shape memory alloys in the NiTiPd system are being investigated as lower cost alternatives to NiTiPt alloys for use in compact solid-state actuators for the aerospace, automotive, and power generation industries. A range of ternary NiTiPd alloys containing 15 to 46 at.% Pd has been processed and actuator mimicking tests (thermal cycling under load) were used to measure transformation temperatures, work behavior, and dimensional stability. With increasing Pd content, the work output of the material decreased, while the amount of permanent strain resulting from each load-biased thermal cycle increased. Monotonic isothermal tension testing of the high-temperature austenite and low temperature martensite phases was used to partially explain these behaviors, where a mismatch in yield strength between the austenite and martensite phases was observed at high Pd levels. Moreover, to further understand the source of the permanent strain at lower Pd levels, strain recovery tests were conducted to determine the onset of plastic deformation in the martensite phase. Consequently, the work behavior and dimensional stability during thermal cycling under load of the various NiTiPd alloys is discussed in relation to the deformation behavior of the materials as revealed by the strain recovery and monotonic tension tests.

Bigelow, Glen S.↗
DOE OSTI2022

Transport of Ligand Coordinated Iron and Chromium through Cation-Exchange Membranes

Fluxes of negatively charged ligand-coordinated iron, Fe(CN) 6 3/4- , and chromium, CrPDTA 1/2− , through two promising commercial cation-exchange membranes, Aquivion E87–05S and Fumasep E-620(K), were measured as functions of current density. The magnitude of the partial current density reached a maximum of − 43 μ A cm −2 at the maximum applied current density magnitude of − 43 mA cm −2 for Fe(CN) 6 3/4− transport through Aquivion, or 0.1% of the total current density. Fumasep E-620(K) blocks practically all crossover of both compounds. Both membranes sorb more Fe(CN) 6 3/4− and CrPDTA 1/2− than predicted by Donnan equilibrium, and low crossover rates can be attributed mainly to slow diffusion, not charge-based rejection of co-ions. The magnitude of the diffusion coefficient appears to correlate with hydraulic permeability. Although Aquivion E87–05S and Fumasep E-620(K) have significant and observable differences in membrane crossover rates, cells built with the DI-soaked membranes offer similarly high coulombic efficiency, indicating the relatively small contribution that crossover makes to inefficiency over a single cycle.

25 ENERGY STORAGE↗
DOE OSTI2020

Design of Experiments Involving Molybdenum in SNL SPRF/CX Facility

This report is part of the collaboration with the Nuclear Criticality Safety Program and constitutes the “CED-2 report” of the experiments proposed in the SPRF/CX facility of SANDIA National Laboratories to contribute to the validation of Molybdenum in thermal energy spectrum. It supplements the study carried out in the CED-1 report by providing a more precise design of the proposed experiments and presents a complete evaluation of the experimental uncertainties. In the CED-1 report, corresponding to the preliminary design of the experiments, IRSN identified several promising configurations that could be implemented in the SPRF/CX facility of SNL. They use metallic molybdenum either in the form of foils between the UO 2 pellets inside BUCCX rods, or in the form of sleeves surrounding 7uPCX rods. In this CED-2 report, a new design using molybdenum sleeves surrounding BUCCX rods is also analyzed and the experimental uncertainties of all the proposed configurations are estimated. Given the constraints to carry out the experiments and the costs associated with the manufacturing of the foils, the experiments using molybdenum foils are discarded. Similarly, the design using molybdenum sleeves around BUCCX rods leads to significant manufacturing costs which could certainly be partially offset by use of existing grids but which would lead to slightly lower values of the integral sensitivities to the cross sections of molybdenum. Consequently, the design using molybdenum sleeves around 7uPCX rods is favored insofar as it presents higher $k_{eff}$ sensitivities to the molybdenum cross sections and that there is still possibility to reduce the number of sleeves to reduce the cost of experiments. Regarding feedback on nuclear data in support of criticality safety assessment, one of the advantages of the work described here is that the proposed experiments are not correlated with the MIRTE and FP experiments using molybdenum. In addition, they lead to higher sensitivity values in the thermal energy range than the existing experiments and partly “cover” the first resonance of the 95 Mo, which is a real advantage for improving knowledge on molybdenum cross sections.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗