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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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172 records · Page 10

Interaction energy and isosteric heat of adsorption between hydrogen and magnesium diboride

Hydrogen storage materials form a crucial research topic for future energy utilization employing hydrogen and among those of interest magnesium diboride (MgB 2 ) has shown its prevalence. In this study, a first-principles analytical adsorption model of one hydrogen molecule in the vicinity of various magnesium diboride crystal surfaces was developed in order to obtain surface thermodynamic properties as a function of molecular and lattice properties. Henry's law constant (K H ) and isosteric heat of adsorption (ΔH ads ) indicators of the affinity between a gaseous molecule and a solid surface are thus calculated. The results in this paper not only address questions pertaining to the first stage of hydrogen storage processes but also advance the understanding of physisorption thermodynamics of a neutral molecule (H 2 ) coming in contact with a layered metallic-like surface (MgB 2 ). Although the model is built from a framework of classical calculations, quantum effects are incorporated as the fractional charge of the ions on the free surfaces, which is essential for the calculation of analytic thermodynamic values that approximate calculations from other methods. To benchmark our theoretical models, periodic density functional calculations were performed to determine the interactions between H 2 and different MgB 2 surfaces from first-principles. By considering both the top and sublayers of MgB 2 in calculating interaction energy, we have analytically and computationally calculated the interaction energies of H 2 molecules and MgB 2 's terminated planes, and witnessed the strong dependence of interaction energies on surface charges. We have also observed a dipole flipping phenomenon which explains the discontinuity seen in the interaction energy graph of Mg(0001). Both analytical and computational results showed heat of adsorption at zero coverage varying at a very low range (<7 kJ mol -1 ).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

On the Fidelity of Computational Models for the Flow of Milled Loblolly Pine: A Benchmark Study on Continuum-Mechanics Models and Discrete-Particle Models

The upstream of bioenergy industry has suffered from unreliable operations of granular biomass feedstocks in handling equipment. Computational modeling, including continuum-mechanics models and discrete-particle models, offers insightful understandings and predictive capabilities on the flow of milled biomass and can assist equipment design and optimization. This paper presents a benchmark study on the fidelity of the continuum and discrete modeling approaches for predicting granular biomass flow. We first introduce the constitutive law of the continuum-mechanics model and the contact law of the coarse-grained discrete-particle model, with model parameters calibrated against laboratory characterization tests of the milled loblolly pine. Three classical granular material flow systems (i.e., a lab-scale rotating drum, a pilot-scale hopper, and a full-scale inclined plane) are then simulated using the two models with the same initial and boundary conditions as the physical experiments. The close agreement of the numerical predictions with the experimental measurements on the hopper mass flow rate, the hopper critical outlet width, the material stopping thickness on the inclined plane, and the dynamic angle of repose, clearly indicates that the two methods can capture the critical flow behavior of granular biomass. The qualitative comparison shows that the continuum-mechanics model outperforms in parameterization of materials and wall friction, and large-scale systems, while the discrete-particle model is more preferred for discontinuous flow systems at smaller scales. Industry stakeholders can use these findings as guidance for choosing appropriate numerical tools to model biomass material flow in part of the optimization of material handling equipment in biorefineries.

Jin, Wencheng↗

Method for Reduction of Silver Biocide Plating on Metal Surfaces

Silver ions in aqueous solutions (0.05 to 1 ppm) are used for microbial control in water systems. The silver ions remain in solution when stored in plastic containers, but the concentration rapidly decreases to non-biocidal levels when stored in metal containers. The silver deposits onto the surface and is reduced to non-biocidal silver metal when it contacts less noble metal surfaces, including stainless steel, titanium, and nickel-based alloys. Five methods of treatment of contact metal surfaces to deter silver deposition and reduction are proposed: (1) High-temperature oxidation of the metal surface; (2) High-concentration silver solution pre-treatment; (3) Silver plating; (4) Teflon coat by vapor deposition (titanium only); and (5) A combination of methods (1) and (2), which proved to be the best method for the nickel-based alloy application. The mechanism associated with surface treatments (1), (2), and (5) is thought to be the development of a less active oxide layer that deters ionic silver deposition. Mechanism (3) is an attempt to develop an equilibrium ionic silver concentration via dissolution of metallic silver. Mechanism (4) provides a non-reactive barrier to deter ionic silver plating. Development testing has shown that ionic silver in aqueous solution was maintained at essentially the same level of addition (0.4 ppm) for up to 15 months with method (5) (a combination of methods (1) and (2)), before the test was discontinued for nickel-based alloys. Method (1) resulted in the maintenance of a biocidal level (approximately 0.05 ppm) for up to 10 months before that test was discontinued for nickel-based alloys. Methods (1) and (2) used separately were able to maintain ionic silver in aqueous solution at essentially the same level of addition (0.4 ppm) for up to 10 months before the test was discontinued for stainless steel alloys. Method (3) was only utilized for titanium alloys, and was successful at maintaining ionic silver in aqueous solution at essentially the same level of addition (0.4 ppm) for up to 10 months before the test was discontinued for simple flat geometries, but not for geometries that are difficult to Teflon coat.

Steele, John↗

Fluid – Fluid Interfacial Area and Its Impact on Relative Permeability - A Pore Network Modeling Study

Abstract Relative permeability (kr) is commonly modeled as an empirical function of phase saturation. Although current empirical models can provide a good match of one or two measured relative permeabilities using saturation alone, they are unable to predict relative permeabilities well when there is hysteresis or when physical properties such as wettability change. Further, current models often result in relative permeability discontinuities that can cause convergence and accuracy problems in simulation. To overcome these problems, recent research has modeled relative permeability as a state function of both saturation (S) and phase connectivity (X). Pore network modeling (PNM) data, however, shows small differences in relative permeability for the same S-X value when approached from a different flow direction. This paper examines the impact of one additional Minkowski parameter (Mecke and Arns, 2005), the fluid-fluid interfacial area, on relative permeability to identify if that satisfactorily explains this discrepancy. We calculate the total fluid-fluid interfacial areas (IA) during two-phase (oil/water) flow in porous media using pore network modeling. The area is calculated from PNM simulations using the areas associated with corners and throats in pore elements of different shapes. The pore network is modeled after a Bentheimer sandstone, using square, triangular, and circular pore shapes. Simulations were conducted for numerous primary drainage and imbibition cycles at a constant contact angle of 0° for the wetting phase. Simultaneous measurements of capillary pressure, relative permeability, saturation, and phase connectivity are made for each displacement. Fluid-fluid interfacial area is calculated from the PNM capillary pressure, the fluid location in the pore elements, and the pore element dimensional data. The results show that differences in the relative permeability at the same (S,X) point is explained well by differences in the fluid-fluid interfacial area (IA). That is, for a larger change in IA at these intersection points, the permeability difference is greater. That difference in relative permeability approaches zero as the difference in IA approaches zero. This confirms that relative permeability can be modeled better as a unique function of S, X, and IA. The results also show that an increase in IA restricts flow decreasing the nonwetting (oil) phase permeability. This decrease is caused by an increase in the throat area fraction compared to the corner area as the total area IA increases. The wetting phase relative permeability, however, shows the inverse trend, in that its relative permeability is greater when IA becomes larger owing to a greater fraction of the total area associated with the corners. The area IA, however, impacts the nonwetting phase relative permeability more than the wetting phase relative permeability. Corner flow improves the wetting phase relative permeability because the wetting phase is continuous there. Finally, a sensitivity analysis shows that relative permeability a is more sensitive to change in S than they are for IA for the case studied implying that if only two parameters are used to model relative permeability it is better to choose S and X.

Engineering↗

Exploration Helmet Permanent Anti-fog Study

For the current Extravehicular Mobility Unit (EMU) spacesuit, an astronaut applies an anti-fog solution to the interior of the helmet bubble before each EVA. However, the anti-fog solution has been reported to cause eye discomfort during at least seven EMU EVAs when the anti-fog solution contacted the crew member’s eyes. During STS-100, astronaut Chris Hadfield reported the eye irritation temporarily blinded him during his spacewalk. In addition, the wipe on anti-fog solution is a consumable that needs to be accounted for and a supply launched for missions. To solve this, the Exploration EMU (xEMU) pressure bubble investigated using a permanent anti-fog coating during Design Verification and Test (DVT) human in the loop (HITL) events. Chosen for previous use in Constellation Space Suit develop, HTAF-601, a water based permanent anti-fog solution, was tested. However, major issues have arisen with further HITL testing with the coating. Cleaning the helmet has been a challenge to avoid damaging the permanent anti-fog coating. NASA has completed a set of different methods for cleaning the anti-fog to try to document a preferred method. It was found isopropyl alcohol (IPA) cannot be used to clean the interior of the helmet because it will strip and delaminate the permanent anti-fog coating. Even with using a very gentle cleaning method of flushing with distilled or DI water and dabbing at facial oils, the permanent anti-fog starts to delaminate consistently after 50 hours manned pressurized time (MPT). Finally, the HTAF-601 coating is being discontinued by the vendor. Due to these issues, further investigation is being completed evaluating two solvent based anti-fog solutions: Exxene’s HCF-100 and FSI’s Visgard 106-94. Each coating will be evaluated on polycarbonate samples for application consistency, steam cycles (mimicking breath cycles), cleaning durability, haze, and light transmission. This study will determine if either coating is a viable option to pursue as a permanent anti-fog for spacesuit helmet applications.

spacesuit↗

NGEE Arctic Soil Pit and Core Inventory for Samples Collected Between 2016-2019: Locations, Sampling Characteristics, Collection, and Contacts, Seward Peninsula, Alaska, USA

This dataset includes associated information about individual pit and core samples (e.g., location, contact, date, data collected) sampled between 2016 and 2019 from NGEE Arctic sites at Teller (MM 27 and MM47), Kougarok (MM47 and MM56, Hillslope, and vegetation plot areas), and Council (MM71). The inventory is qualitative and excludes those datasets on soil pit cores that included time-series information. The package includes one each *.csv data file, *.kml and *.pdf. All quantitative data is available in the related datasets https://doi.org/10.5440/1417652, https://doi.org/10.5440/1423892, https://doi.org/10.5440/1342956, https://doi.org/10.5440/1854940, https://doi.org/10.5440/1544760, https://doi.org/10.5440/1346200, and https://doi.org/10.5440/1856042. The goal of this dataset is to help modelers understand when, where, and what data was collected with respect to physical soil properties on the Seward Peninsula, AK, USA over the course of NGEE Arctic’s campaigns in the region from 2016-2019. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

Investigation of Friction Stir Welding and Laser Engineered Net Shaping of Metal Matrix Composite Materials

The improvement in weld quality by the friction stir welding (FSW) process invented by TWI of Cambridge, England, patented in 1991, has prompted investigation of this process for advanced structural materials including Al metal matrix composite (Al-MMC) materials. Such materials can have high specific stiffness and other potential beneficial properties for the extreme environments in space. Developments of discontinuous reinforced Al-MMCs have found potential space applications and the future for such applications is quite promising. The space industry has recognized advantages of the FSW process over conventional welding processes such as the absence of a melt zone, reduced distortion, elimination of the need for shielding gases, and ease of automation. The process has been well proven for aluminum alloys, and work is being carried out for ferrous materials, magnesium alloys and copper alloys. Development work in the FSW welding process for joining of Al-MMCs is relatively recent and some of this and related work can be found in referenced research publications. NASA engineers have undertaken to spear head this research development work for FSW process investigation of Al-MMCs. Some of the reported related work has pointed out the difficulty in fusion welding of particulate reinforced MMCs where liquid Al will react with SiC to precipitate aluminum carbide (Al4C3). Advantages of no such reaction and no need for joint preparation for the FSW process is anticipated in the welding of Al-MMCs. The FSW process has been best described as a combination of extrusion and forging of metals. This is carried out as the pin tool rotates and is slowly plunged into the bond line of the joint as the pin tool's shoulder is in intimate contact with the work piece. The material is friction-stirred into a quality weld.

Ravinder M. Diwan↗

Recent Thermal and Hydraulic Stimulation Results at Raft River, ID EGS Site

The Raft River geothermal system, located 160 km northwest of Salt Lake City, Utah is the site of a Department of Energy Enhanced Geothermal System (EGS) stimulation demonstration project. The target well RRG-9 ST-1, is roughly 1.6 km (1 mile) south of the power plant. This well has undergone a series of thermal and hydraulic stimulation treatments. Furthermore, the well passes through approximately 1,524 m MD (5,000 ft. MD) of laterally discontinuous Quaternary and Tertiary volcanoclastic and volcanic rocks that unconformably overlie the Precambrian basement. The Elba Quartzite formation located in the Precambrian basement is the target zone for the stimulation program. Fluid injected into the well exits through a fracture zone in the Elba Quartzite at 1,567 m TVD (5,140 ft. TVD). In June 2013 low-rate stimulation began at RRG-9 ST-1 using injection water from the geothermal plant. The average injection rate, temperature, and well head pressure of the low-rate stimulation was 163 Lpm (43 gpm), 34°C, and 1,931kPa (280 psig), respectively. This injection continued through late August of 2013 when wellhead pressures were intentionally increased to approximately 5,516 kPa (800 psig) at approximately 984 Lpm (260 gpm). From September 12 to September 24, 2013 cold well water was injected. The average surface injection temperature was approximately 12°C. On September 25, 2013 injection of the warmer plant water was resumed. This was continued through the rest of 2013 and into 2014. Between April 1, 2014 and April 4, 2014, a higher rate hydraulic stimulation was conducted. Colder water (~10°C) was injected at rates of 20 bpm to 30 bpm (3,178 Lpm to 4,770 Lpm) at wellhead pressures of 5,861 kPa (850 psig) over approximately 24 hours. Microseismic activity was recorded near the Tertiary-Precambrian contact. Subsequently, injection of water from the plant was resumed. As of mid-January, 2015, over 666 million liters (176 million gallons) have been injected into the well. The fate of this water is the subject of ongoing numerical analyses and continuous site monitoring. Various analyses have been implemented to monitor and assess the ongoing stimulation program. Modified Hall plot analysis shows increasing conductivity and/or a decreasing skin factor around the wellbore. Since April, 2014, the injectivity index has increased significantly from 0.28 Lpm/kPa (0.5 gpm/psig) to 0.93 Lpm/kPa (1.7 gpm/psig).

enhanced geothermal system↗

Nonlinear dynamics, bifurcations, and multi-stability in a vibro-impact system with geometric and multi-segmented freeplay nonlinearities

Freeplay is a common type of piecewise-smooth nonlinearity in dynamical systems, and it can cause discontinuity-induced bifurcations and other behaviors that may bring about undesirable and potentially damaging responses. Prior research has focused on piecewise-smooth systems with two or three distinct regions, but less attention is devoted to systems with more regions (i.e., multi-segmented systems). In this work, numerical analysis is performed on a dynamical system with multi-segmented freeplay, in which there are four stiffness transitions and five distinct regions in the phase space. Here, the effects of the multi-segmented parameters are studied through bifurcation diagram evolution along with induced multi-stable behavior and different bifurcations. These phenomena are interrogated through various tools, such as harmonic balance, basins of attraction, phase planes, and Poincaré section analysis. Results show that among the three multi-segmented parameters, the asymmetry has the strongest effect on the response of the system.

42 ENGINEERING↗

Hydraulic Conductivity Measurements, Utqiagvik (Barrow), Alaska, 2014

Six individual ice cores were collected from the Barrow Environmental Observatory in Barrow, Alaska, in May of 2013 as part of the Next Generation Ecosystem Experiment (NGEE). Each core was drilled at a different location to varying depths. After drilling, the cores were stored in coolers packed with dry ice and flown to Lawrence Berkeley National Laboratory (LBNL) in Berkeley, CA. 3-dimensional images of the cores were constructed using medical X-ray computed tomography (CT) scanner at 120kV. Hydraulic conductivity samples were extracted from these cores at LBNL Richmond Field Station in Richmond, CA, in February 2014 by cutting 5 to 8 inch segments using a chop saw. Samples were packed individually and stored at -20C freezing temperatures to minimize any changes in structure or loss of ice content prior to analysis. Hydraulic conductivity was determined through falling head tests using a permeameter [ELE International, Model #: K-770B] (Appendix A). Samples were placed in a latex membrane via a membrane stretcher while frozen. Use of a membrane stretcher made the membranes easier to secure and minimized contact with the sample. A clear polycarbonate sleeve, fabricated with a stainless steel ring at the bottom to keep the sleeve from floating, was placed around the sample inside the permeameter to minimize deformation during analysis. The permeameter was filled with water and 1.0 PSI of air was applied for confining pressure during sample defrost. Outflow valves were left open to allow for incremental thawing and samples were left to thaw for approximately 12 hours. After approximately 12 hours of thaw, initial falling head tests were performed. When the flow was significantly too fast or too slow, the analysis was stopped and the burette size was adjusted accordingly (i.e. a larger diameter burette was used for flows that were faster than desired or a smaller diameter burette was used for flows that were slower than desired). Two to four measurements were collected on each sample and collection stopped when the applied head load exceeded 25% change from the original load. Analyses were performed between 2 to 3 times for each sample. The final hydraulic conductivity calculations were computed using methodology of Das et al., 1985.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a 15-year research effort (2012-2027) to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗