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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A Method for Obtaining Liquid–Solid Adsorption Rates from Molecular Dynamics Simulations: Applied to Methanol on Pt(111) in H 2 O

Adsorption is an important step in heterogeneous catalysis as it predetermines how many reactant molecules can participate in a surface reaction per unit time. While the rate of adsorption processes is well studied in gas–solid adsorption in both theory and experiment, such rates are still not well studied for liquid–solid adsorption. This is partly because the ever-changing configurations of liquid-phase solvent molecules impede the ability to study a molecule approaching a surface from a liquid phase by either experiment or theory. In this work, we develop a method using molecular dynamics (MD) simulations to study the rate of adsorption in liquid–solid adsorption processes. Specifically, we use MD to model the diffusion of a methanol molecule in aqueous solvent and its adsorption to a Pt(111) surface. We find that by approximating the solute motion as following the same displacement rates as a random walk model, the adsorbed and non-adsorbed states of the methanol molecule near the Pt(111) surface can be discerned and quantified. In particular, this methodology enables extracting a sticking coefficient and a macroscopically relatable adsorption rate. This method can be applied to arbitrary types of reactants and surfaces, as well as different liquid environments, thus providing a general tool for predicting quantitative adsorption rates of liquid–solid adsorption systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Electrochemical Corrosion of SIMFUEL: Effects of dissolved H2 and noble metal particles

This report describes the results from electrochemical corrosion tests that were conducted using simulated spent fuel (SIMFUEL) materials comprised of UO2 and surrogate fission products. Two SIMFUEL compositions were tested to quantify the effect of noble metal inclusions and dissolved H2 on the UO2 dissolution rate. One material consisted of UO2 with added lanthanide oxides (UO2 N) and the other consisted of UO2 with added lanthanide oxides and noble metals (UO2-H) at concentrations to simulate high burnup fuel. The electrochemical corrosion tests on the SIMFUEL materials were conducted in aqueous electrolyte solutions (pH 10) that were either saturated with air or purged with a H2/Ar gas mixture to maintain a constant dissolved H2 concentration. The results from electrochemical corrosion tests on SIMFUEL can be applied to qualitatively understand and also quantify the separate effects of water chemistry and fuel composition on the degradation behavior of the UO2 matrix. Open circuit potential (OCP) measurements on a SIMFUEL material of known composition (i.e., known fraction of NMPs at the fuel surface) immersed in a known solution chemistry (i.e., pH, Eh, [O2], [H2]) at known temperature provide qualitative insight into the degradation behavior of the UO2 matrix. If the OCP is above the threshold potential at which the oxidative dissolution of U(IV) to U(VI) occurs, the SNF is expected to degrade by oxidative processes under the experimental conditions. The net currents that are measured during potentiostatic tests, during which the surface potential of the SIMFUEL material is fixed by a potentiostat, can be used to quantify the UO2 degradation rate and optimize the rate constant values used in the Fuel Matrix Degradation Model (FMDM) for half reactions that occur on the SNF surface. Specifically, electrochemical measurements enable the estimation of the total anodic current at ECORR–which is the surface potential at which the total anodic and total cathodic currents are equal–so that the rate constant values for key reactions can be calculated. The open circuit potential measurements, potentiostatic tests, surface property measurements (scanning electron microscopy images and electrochemical impedence spectroscopy plots), and solution elemental composition analyses are being performed to update and optimize the FMDM. A case study is presented herein to show how electrochemical corrosion test results and accompanying characterization results for the UO2 N material in air-saturated solution can be used to validate the SNF surface reaction module of the FMDM. Future electrochemical tests will be conducted to provide quantitative information on the effects of NM content (burnup), H2 concentration, water chemistry, temperature, and galvanic couples with cladding and EBS alloys on UO2 degradation that can be used to improve the accuracy and functionality of the FMDM.

Thomas, Sara↗
NASA NTRS1987

Theoretical analysis of the electrical aspects of the basic electro-impulse problem in aircraft de-icing applications

A method of modelling a system consisting of a cylindrical coil with its axis perpendicular to a metal plate of finite thickness, and a simple electrical circuit for producing a transient current in the coil, is discussed in the context of using such a system for de-icing aircraft surfaces. A transmission line model of the coil and metal plate is developed as the heart of the system model. It is shown that this transmission model is central to calculation of the coil impedance, the coil current, the magnetic fields established on the surfaces of the metal plate, and the resultant total force between the coil and the plate. FORTRAN algorithms were developed for numerical calculation of each of these quantities, and the algorithms were applied to an experimental prototype system in which these quantities had been measured. Good agreement is seen to exist between the predicted and measured results.

Henderson, Robert A.↗
NASA NTRS2004

Heat pipe systems using new working fluids

The performance of a heat pipe system is greatly improved by the use of a dilute aqueous solution of about 0.0005 and about 0.005 moles per liter of a long chain alcohol as the working fluid. The surface tension-temperature gradient of the long-chain alcohol solutions turns positive as the temperature exceeds a certain value, for example about 40.degree. C. for n-heptanol solutions. Consequently, the Marangoni effect does not impede, but rather aids in bubble departure from the heating surface. Thus, the bubble size at departure is substantially reduced at higher frequencies and, therefore, increases the boiling limit of heat pipes. This feature is useful in microgravity conditions. In addition to microgravity applications, the heat pipe system may be used for commercial, residential and vehicular air conditioning systems, micro heat pipes for electronic devices, refrigeration and heat exchangers, and chemistry and cryogenics.

Chao, David F.↗
NASA NTRS1991

Enhancement of the no-vent fill process

This paper presents an analytical and experimental evaluation of an enhanced techniques for no-vent fill. The method entails injecting liquid through the top of the receiver vessel, thereby increasing surface area and agitation of the ullage/liquid interface. Both of these factors promote condensation induced ullage collapse, and reduce compressive impedance to the incoming liquid. The enhanced process was analyzed by modifying the surface area algorithm of an existing tank thermodynamic code to model a downward-pointing, conical jet impringing on a steadily rising liquid surface. Transient pressure and temperature measurements from several tests with Freon-114 were input into the revised model to calculate condensation rate as a function of fill level. By expressing these rates in dimensionless form (i.e., in terms of Stanton number and Prandtl number), an empirical correlation similar to the submerged jet model of Brown and Sonin (1989) was derived. This provided a basis for developing an expression which relates top fill to bottom fill performance.

Vaughan, David A.↗
DOE OSTI2020

Charge Transport Properties of Lithium Superoxide in Li–O 2 Batteries

The theoretical energy density of lithium–oxygen (Li–O 2 ) batteries is extremely high, although there are many challenges that must be overcome to achieve high energy density in a manufactured cell. For example, little is known about the properties of one of the key intermediates, lithium superoxide (LiO 2 ), which until recently had not been stabilized in bulk form. In this work, lithium superoxide was deposited onto iridium–reduced graphene oxide (Ir–rGO) cathodes in a Li–O 2 system under a flow of O 2 . Lithium peroxide (Li 2 O 2 ) was subsequently produced on the cathode surface in an inert Ar atmosphere. Based on a detailed analysis of electrochemical impedance spectroscopy data, it was demonstrated experimentally for the first time that the charge transport resistance through LiO 2 was much lower than for Li 2 O 2 and correlated with lower LiO 2 charge overpotentials. We report this result indicates that LiO 2 has good electronic conductivity and confirms previous theoretical predictions that bulk LiO 2 has better charge transport properties than Li 2 O 2 . In addition, impedance and other characterization of Li 2 O 2 formation from LiO 2 in an Ar atmosphere revealed that when surface-mediated Li 2 O 2 formation occurs, it has a significantly lower discharge potential than when it forms through a solution-phase-mediated process. These significant findings will contribute to the development of Li–O 2 batteries through better understanding of LiO 2 properties and formation mechanisms.

25 ENERGY STORAGE↗
DOE OSTI2022

Analytical modeling and simulation of electrical contact resistance for elastic rough electrode surface contact including frictional temperature rise

An improved electrical contact resistance (ECR) model for elastic rough electrode contact is proposed, incorporating the effects of asperity interactions and temperature rise by frictional and joule heating. The analytical simulation results show that the ECR decreases steeply at the beginning of the contact between Al and Cu. However, it becomes stabilized after reaching a specific contact force. It is also found that the longer elapsed sliding contact time, the higher ECR due to the increase in electrical resistivity of electrode materials by the frictional temperature rise at the interface. The effects of surface roughness parameters on ECR are studied through the 3 2 full-factorial design-of-experiment analysis. Based on the two representative roughness parameters, i.e., root-mean-square (rms) roughness and asperity radius, their individual and coupled effects on the saturated ECR are examined. The saturated ECR increases with the rms roughness for a rough machined surface condition, but it is hardly affected by the asperity radius. On the other hand, the saturated ECR increases with both the rms roughness and the asperity radius under a smooth thin film surface condition.

42 ENGINEERING↗
DOE OSTI2025

Sulfonated Diels–Alder Poly(Phenylene)s in Membrane Electrode Assemblies for Fuel Cells

The transition to environmentally sustainable materials in fuel cells requires alternatives to persistent polyfluoroalkyl substances (PFAS) like Nafion. This study investigates the performance-limiting factors of membrane electrode assemblies (MEAs) utilizing sulfonated Diels–Alder poly(phenylene)s (sDAPPs) as PFAS-free polymer electrolytes. Among the configurations evaluated, the greatest performance loss occurred when sDAPP is used as the cathode binder, primarily due to phenyl group adsorption on catalyst surfaces, which reduces oxygen reduction reaction activity and impedes oxygen transport. Additional performance degradation arises from membrane-electrode interfacial incompatibility and insufficient ionomer hydrophobicity. By addressing ionomer adsorption and improving interfacial contact, an sDAPP-based cathode achieved a current density of 1.57 A cm −2 at 0.6 V under fully humidified H 2 /air conditions at 80 °C and 150 kPa abs . These results offer key insights for advancing high-performance, PFAS-free fuel cell technologies.

08 HYDROGEN↗
DOE OSTI2023

Characterizing pulse reverse-pulse uranium recovery in molten LiCl-KCl with intermittent electrochemical impedance spectroscopy

In this work, EIS was applied to characterize the temporal recovery of uranium from UCl 4 onto a tungsten electrode in molten LiCl-KCl salt between sets of pulse reverse-pulse (PRP) deposition steps. Impedance measurements were fitted to an equivalent circuit (EC) model of the electrode interface using Simplex optimization to calculate the double layer capacitance, charge transfer resistance, Warburg impedance, and CPE-restricted diffusion. Diffusion of uranium towards the electrode surface dominated the surface interactions for the first 80 cycles, followed by a transition to kinetic control for the remaining 520 cycles. A decrease in the Warburg impedance showed depletion of uranium from the bulk melt, which was confirmed to be a 52.5% reduction through ICP-OES. Reduction in the phasance from CPE-restricted diffusion suggested the formation of pores in the uranium deposits, which was confirmed through SEM characterization.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2026

Electro-chemo-mechanically Driven Ni Exsolution from (Pr,Ce,Ni)O 2−δ : Controlled Nucleation Density and Enhanced Electrode Kinetics

In situ exsolution of metal nanoparticles is a promising strategy to prepare electrocatalysts with enhanced activity and resistance to agglomeration for efficient chemical transformations and energy conversion. Achieving a high nucleation density of nanoparticles under mild conditions and understanding how to tailor the process is important for performance of these electrodes in electrochemical cells. In this work, we demonstrate facile exsolution of Ni nanoparticles using fluorite-structured (Pr,Ce)O 2−δ as the support oxide, driven by electrochemical potential and aided by the metastability of Ni in the solid solution (elastic driving force). We prepare single-phase oriented thin films of (Pr,Ce,Ni)O 2−δ (NPCO) on (Zr,Y)O 2−δ (YSZ) substrates by pulsed laser deposition. With the aid of a high-throughput electrochemical cell that provides a lateral gradient in Nernst voltage, we apply in situ near-ambient pressure synchrotron X-ray photoelectron spectroscopy and ex situ atomic force microscopy to investigate the impact of electrochemical potential on Ni nucleation density. We find that metallic Ni can be successfully exsolved at 550 °C upon cathodic biasing in 20 mTorr O 2 , and its nucleation density increases with increasing electrochemical driving force/decreasing oxygen chemical potential. We further evaluate the electrochemical performance under highly reducing (fuel electrode) conditions by electrochemical impedance spectroscopy. With the exsolved Ni nanoparticles, the surface exchange coefficient of the NPCO is found to be ∼4× higher than for PCO without exsolution. This work confirms mixed conducting fluorites as beneficial host lattices for facile transition-metal exsolution and suggests the possibility for constructing an all ceria-based electrochemical cell with PCO serving as both the cathode and the anode.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Room temperature corrosion behaviour of plastically deformed AISI 304 stainless steel by friction stir welding in neutral and acidified chloride solutions

Severe plastic deformation of 304L stainless steel plate was carried out by friction stirring under an isothermal tool temperature at 825°C. The friction stirred zone showed extensive grain refinement, high fraction of low angle grain boundaries due to dislocation rearrangement, Σ3 and Σ9 special grain boundaries and discrete Fe–Cr–Mn-rich particles. Electrochemical polarisation measurements were done on the base metal (BM) and friction stir welded (FSW) specimens in the neutral and acidified 3.5% NaCl solutions. The BM showed marginally better pitting resistance in the neutral chloride solution than the FSW because of a larger fraction of special grain boundaries, and larger grain size. Whereas in acidified 3.5% NaCl solution, the FSW showed better corrosion resistance than the BM. Furthermore, the surface film of the FSW had a lower impedance and a lower defect concentration than the BM indicating higher diffusivity of point defects in the FSW.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Thermal and Electrical Properties of Isocyanate Derived Organic Aerogels for Cryogenic Insulation Applications

The use and storage of cryogens such as liquefied nitrogen, helium, hydrogen among others requires reliable and efficient thermal insulation systems. Passive insulation from high performance materials that are well-known for their inherent low thermal conductivity would reduce the overall costs involved in design, manufacture and maintenance of such systems. One such class of materials are referred to as aerogels. These materials are known for their low density, high mesoporosity, high surface areas, low thermal conductivity and high acoustic impedance. Aerogels were invented by S.S. Kistler in 1931 and the most common type are those made of silica. However, the inherent fragility of silica aerogels makes them hard to mass produce, and therefore applications have been limited. A major breakthrough was introduced by our team almost 20 years ago with the invention of polymer crosslinked silica aerogels. Those materials shifted attention to all-polymer aerogels that have overcome all fragility issues associated with their inorganic counterparts. This study focuses on such polymeric aerogels that can be mass produced as large monoliths while maintaining the low thermal conductivity of traditional silica aerogels over a wide temperature range. Manufacturing flexibility of polymeric aerogels allows fabrication of blocks and sheets that can be applied in various configurations to insulate cryogenic and superconducting devices. The thermal conductivity with 80 K and room temperature boundary are reported as well as other properties (electrical), that need to be considered when designing devices for cryogenic applications.

Churu, Gitogo↗
NASA NTRS1988

Propagation of quasiplane waves along an impedance boundary

The parabolic approximation for the acoustic equations of motion is applied to the study of the sound field generated by a time harmonic plane wave at grazing incidence to a finite impedance boundary. The resulting equations possess a solution which may be expressed in terms of the complementary error function. Asymptotic expansion of this solution for field points near the boundary provides results compatible with those for a point source on the boundary for both the soft boundary (finite impedance) and hard boundary (the limit in which the impedance becomes infinite) cases. The presence of a surface wave in the solution is also established.

Mcaninch, G. L.↗
NASA NTRS1990

Spatial conductivity measurements on high T(sub c) superconducting films

High T(sub c) superconducting thin and thick films have potential applications in future NASA flight projects. In anticipation of film use, the Materials Branch is developing a nondestructive, non-contact method of measuring the spatial variation of conductivity across a film sample. This method uses a computer-controlled, X-Y positioning table to scan a conventional eddy current probe across the surface of a film. The induced changes in impedance caused by variations in film conductivity are recorded during the scanning process. Ultimately the two-dimensional data set is displayed using imaging equipment on a personal computer.

Vansant, J. Timothy↗
NASA NTRS1996

Thickness Measurement Device for Ice/Water Mixture

A device and method are provided for determining the thickness of an ice and water mixture accumulated on the outer surface of an object. First and second total impedance sensors are operated at first and second frequencies over which the dielectric constants for water and ice are substantially the same. Corresponding first and second AC total impedance measuring circuits are coupled to the first and second sensors to produce output voltages based on the total impedance changes sensed by the sensors. A processor is coupled to the first and second measuring circuits to generate a voltage ratio using the measured output voltages. The voltage ratio is indicative of the thickness of the ice and water mixture. The novelty of the present invention is the use of two frequencies and dual geometry impedance sensors in order to be sensitive to the formation of ice. Thus, critical situations created by the presence of solid ice can be averted. The device is simple and is easily incorporated into current technology thereby making its realization cost- effective.

Weinstein, Leonard M.↗
NASA NTRS2001

Thickness Measurement Device for Ice, or Ice Mixed with Water or Other Liquid

A Device and Method are provide for determining the thickness of a layer of solid ice, a mixture of ice and water, or a mixture of ice arid other liquid, accumulated on the outer surface of an object. First and second total impedance sensors are operated at first and second frequencies. Corresponding first and second AC total impedance measuring circuits are coupled to The first and second sensors to produce output voltages based on the total impedance changes sensed by the sensors. A processor is coupled to the first and second measuring circuits to generate an output value using the measured output voltages. The output value s indicative of the thickness of the ice or ice and water mixture, or ice and other liquid.

Weinstein, Leonard M.↗
NASA NTRS2005

Impact into Coarse Grained Spheres

Several experimental studies [1,2,3] indicate that differences in the grain size of the target relative to the projectile could influence the cratering process. Impacts into coarse sand grains of size comparable to the projectile show some discrepancies with existing relationships for crater growth [e.g. 4]. Similarly, targets of ne grained, uniform in diameter glass spheres show differences in crater depth, transient crater diameter, and volume of ejecta excavated as a function of grain size [2,3]. The purpose of this work is to continue investigating how the relative grain size may influence early time coupling between a projectile and target, with implications for subsequent ejecta excavation and crater growth. In previous efforts we used numerical techniques to focus on the propagation of shock waves in coarse, granular media emphasizing the influence of relative grain size on crater growth, ejecta production, cratering efficiency, target strength, and crater shape [5,6,7]. In this study, we use experimental techniques - in part as a reality check for the numerical studies - to report on how coarse grained targets might influence ejecta excavation and crater shape. This body of work possesses important implications for ejecta excavation and cratering efficiency on asteroids that may possess rubble pile-like structures, and on planets that may possess either pre-fractured surfaces or large-scale heterogeneities in shock impedance.

Barnouin-Jha, O. S.↗
NASA NTRS2005

Camera Image Transformation and Registration for Safe Spacecraft Landing and Hazard Avoidance

Inherent geographical hazards of Martian terrain may impede a safe landing for science exploration spacecraft. Surface visualization software for hazard detection and avoidance may accordingly be applied in vehicles such as the Mars Exploration Rover (MER) to induce an autonomous and intelligent descent upon entering the planetary atmosphere. The focus of this project is to develop an image transformation algorithm for coordinate system matching between consecutive frames of terrain imagery taken throughout descent. The methodology involves integrating computer vision and graphics techniques, including affine transformation and projective geometry of an object, with the intrinsic parameters governing spacecraft dynamic motion and camera calibration.

Jones, Brandon M.↗