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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 145 records · Page 8

Modeling of Condensation in the Presence of Noncondensables in GFSSP

The Generalized Fluid System Simulation Program (GFSSP) computer code is enhanced with the capability to model condensation in the presence of noncondensable gases. Condensation in the presence of noncondensables is modeled using the Couette flow film (stagnant film) model. Experimental data on the condensation of water vapor in downward flow of air-water vapor and helium-water vapor mixtures in vertical tubes are compared with the predictions of GFSSP. The comparisons show that GFSSP can predict the experimental data well.

heat transfer↗

Effects of Multisensory Virtual Reality Nature on Affect, Presence, and Restorativeness

Virtual reality (VR) can provide access to restorative environments and sensory stimulation for individuals in isolated, confined, and extreme environments. We developed a nature-based VR intervention featuring three scenes (Garden, Forest, Beach) and examined the effects of multisensory augmentation with location-based olfactory, wind, and thermal stimuli (VR+OWT). Over a two-week period, fifty-one participants were assigned to a no-intervention control, standard audiovisual VR, or augmented VR (VR+OWT) condition. Data collection included weekly assessments of affect, stress, and cognitive performance; post-VR measures of affect, presence, and perceived restorativeness; and open-ended feedback. Both VR and VR+OWT groups produced immediate and sustained reductions in negative affect with no sustained systematic benefits on cognitive performance. The addition of olfactory, wind, and thermal stimuli enhanced presence for some scenes; however, feedback indicated that sensory mismatches and stimulus intensity occasionally detracted from the experience and may have contributed to lower coherence ratings in the VR+OWT group. In contrast, the perceived restorativeness of the VR environment was driven primarily by scene content (Garden vs Forest vs Beach) rather than the level of sensory stimulation. These findings support the potential of virtual nature to promote well-being and underscore the importance of coherence across sensory modalities for multisensory augmentation.

Virtual Reality Intervention↗

Device and method for detecting presence of a wireless communication device

A device and method for detecting presence of a wireless communication device having an antenna with intrinsic characteristics includes a transmitter, a receiver, a memory element, and a processing element. The transmitter may send a first signal to the antenna of the wireless communication device. The receiver may receive a second signal from the antenna of the wireless communication device, the second signal being a first portion of the first signal that is reflected by the antenna based on intrinsic characteristics of the antenna. The memory element may store intrinsic characteristic information for the antenna. The processing element may determine presence of the wireless communication device by analyzing the second signal against the intrinsic characteristic information stored in the memory element.

Allnutt, Daniel↗

FLISR in the Presence of DERs ADMS Test Bed Use Case

Fault location, isolation, and restoration (FLISR) is one of the distribution automation applications that utilities are most interested in. It operates groups of switches on distribution feeders to improve the reliability of power delivery after localizing outages. FLISR is an essential function for enabling a self-healing grid, and it directly affects grid reliability and resilience. The presence of DERs brings both new opportunities and challenges for FLISR applications. For instance, some DERs can work as backup generation sources and help energize local networks so more switching options can be achieved with the coordination of FLISR operations; however, the existence of DERs also brings new challenges. The bidirectional power flow resulting from DERs might require dynamic changes to protective devices' fault current settings, and thus the FLISR application will need to dynamically adjust its operations in coordination with the dynamic protection settings. Also, some FLISR applications make their service restoration decisions and close tie-switches based on predefined rules; however, the presence of DERs and their impact on altering net loads on the local feeder network are not considered. For this use case, the project team is using the FLISR application of the Survalent ADMS operating on a real-time simulation of a feeder from Central Georgia EMC, a cooperative electric utility. The performance of the FLISR application is being evaluated for different locations and combinations of DERs, including grid-forming battery energy storage systems.

ADMS↗

System and method for predicting the presence of rare earth elements

A system for predicting rare earth elements (REEs) in a feedstock sample includes a measurement instrument that records a measurement for a sample, a processor communicatively coupled to the measuring instrument, and a memory communicatively coupled to the processor and containing machine readable instructions that, when executed by the processor, cause the processor to correlate the measurement series using a model; and predict a presence of one or more rare earth element based at least in part on the correlation. A method for predicting rare earth elements includes measuring feedstock samples via XRF or PGNAA, to generate a measurements of elements of interest with a lower atomic weight than REEs; correlating the measurements with a model; and predicting a presence of one or more rare earth elements based at least in part on the correlation.

Fuka, Matthew↗

Fundamental Study of Uranium Dendrites Electrochemically Separated in Molten Salt with the Presence of Cerium

In this study, uranium was electrochemically separated in the presence of cerium in eutectic LiCl-KCl at varying concentrations of cerium and varying overpotentials. Harvested dendrites were then examined and analyzed for their morphological features and elemental composition using various analytical techniques. Conclusions: Increasing the applied overpotential causes the dendrites to evolve from relatively simple and large platelet-like crystals (25 mV), to a grid-like network with crystals having jagged and smooth features (50 mV, 100 mV), and finally into a very chaotic and complex crystal morphology (200 mV) for all uranium-cerium compositions explored. Varying the uranium:cerium concentration ratio did not have much effect on the uranium dendrite morphologies. EDS results show that cerium is not co-deposited on the surface of the dendrite crystals, ICP-MS results do show a presence of cerium in the volumetric composition. This is likely due to salt occlusion during the dendrite formation. XRD has been performed on several samples at the 25 mV overpotential with 1 wt% U and 0 wt% Ce in the molten salt eutectic. These results indicate that there is not salt occlusion within the dendrites during electrochemical separation. Additionally, the uranium metal quickly oxidizes during preparation for XRD.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

The Benefits of Virtual Presence in Space (VPS) to Deep Space Missions

Understanding our place in the Universe is one of mankind's greatest scientific and technological challenges and achievements. The invention of the telescope, the Copernican Revolution, the development of Newtonian mechanics, and the Space Age exploration of our solar system; provided us with a deeper understanding of our place in the Universe; based on better observations and models. As we approach the end of the first decade of the new millennium, the same quest, to understand our place in the Universe, remains a great challenge. New technologies will enable us to construct and interact with a "Virtual Universe" based on remote and in situ observations of other worlds. As we continue the exploration that began in the last century, we will experience a "Virtual Presence in Space (VPS)" in this century. This paper describes VPS technology, the mechanisms for VPS product distribution and display, the benefits of this technology, and future plans. Deep space mission stereo observations and frames from stereo High Definition Television (HDTV) mission animations are used to illustrate the effectiveness of VPS technology.

deep space missions↗

Hierarchical Model Reduction Driven by Machine Learning for Parametric Advection-Diffusion-Reaction Problems in the Presence of Noisy Data

Abstract We propose a new approach to generate a reliable reduced model for a parametric elliptic problem, in the presence of noisy data. The reference model reduction procedure is the directional HiPOD method, which combines Hierarchical Model reduction with a standard Proper Orthogonal Decomposition, according to an offline/online paradigm. In this paper we show that directional HiPOD looses in terms of accuracy when problem data are affected by noise. This is due to the interpolation driving the online phase, since it replicates, by definition, the noise trend. To overcome this limit, we replace interpolation with Machine Learning fitting models which better discriminate relevant physical features in the data from irrelevant unstructured noise. The numerical assessment, although preliminary, confirms the potentialities of the new approach.

97 MATHEMATICS AND COMPUTING↗

Can Wholesale Electricity Markets Achieve Resource Adequacy and High Clean Energy Generation Targets in the Presence of Self-Interested Actors?

Wholesale electricity markets are intended to incentivize system generation investments and operations outcomes that meet evolving system needs. In this work, we evaluate the effectiveness of wholesale market structures, rules and policies in achieving system resource adequacy (RA) and clean energy targets in the presence of self-interested generation investors using the Electricity Markets and Investment Suite Agent-based Simulation (EMIS-AS) model. Results highlight that both capacity markets and operating reserve demand curves (ORDCs) can help achieve a reliable system but with different RA compliance timelines and distribution of generation technologies. Structures with capacity markets tend to favor more capital-intensive peaking technologies while reducing wind and solar build-outs due to suppressed energy and clean energy market prices, particularly in the absence of strong clean energy targets. Conversely, ORDCs improve the commitment of available generation units, but this comes at the expense of higher system costs and renewable generation curtailment. We also find that well-calibrated static capacity demand curves can yield similar reliability and total cost compared to capacity market demand curves informed dynamically by resource adequacy while also yielding stable annual capacity prices. Different approaches to formulating ORDC curves can also yield key trade-offs, namely that a more efficient treatment of storage chronology results in lower ORDC curves and prices, yielding less investment and cost but at the expense of reliability. Finally, the effectiveness of wholesale electricity markets in practically achieving very high clean energy generation targets highly depends on the cost-competitiveness of clean energy technologies that can support critical balancing needs across multiple timescales.

capacity expansion↗

Effect of polycarboxylate ether on the expansion of ye'elimite hydration in the presence of anhydrite

Polycarboxylate ether (PCE), a commonly used superplasticizer, is known to influence the morphology of ettringite during the early hydration of C{sub 3}A- and ye'elimite-containing cements. According to existing theories, such morphological changes may be crucial to the expansive behavior of these cements. This paper studied the expansion of ye'elimite-anhydrite pastes and found the use of PCE to reduce expansion after 4 days of curing. Hydration studies were conducted by calorimetry, X-ray diffractometry, scanning electron microscopy, mercury intrusion porosimetry, inductively coupled plasma–optical emission spectrometry, and X-ray microtomography. The results show that the influences of PCE on the morphology of ettringite and the hydration of ye'elimite were quite small after 2 days. Based on the crystal growth theory, the range of pores in which ettringite can grow was calculated to explain the observed expansive behaviors. The presence of ettringite nano-crystals in aluminum hydroxide was also revealed and considered as a possible expansion mechanism.

36 MATERIALS SCIENCE↗

Portlandite solubility and Ca2+ activity in presence of gluconate and hexitols

The current paper investigates the impact of gluconate, D-sorbitol, d-mannitol and D-galactitol on calcium speciation at high pH values by i) solubility measurements of portlandite (Ca(OH){sub 2}) and ii) potentiometric titration measurements of calcium salt solutions. Thermodynamic modelling was used to fit the chemical activities of Ca{sup 2+} and OH{sup −} ions and thus to determine the strength and kind of the different Ca-organic-hydroxide complexes. The strength of complex formation with Ca{sup 2+} decreases in the order gluconate ≫ sorbitol > mannitol > galactitol, which follows the same order as sorption on portlandite. Heteropolynuclear gluconate complexes with calcium and hydroxide dominate the Ca-speciation in the presence of portlandite, while for sorbitol ternary CaSorbOH{sup +} complexes were dominant under alkaline conditions. We expect that these results will help in better understanding the influence of gluconate and hexitols on the hydration of alite and Portland cement.

36 MATERIALS SCIENCE↗

Rare earth ion-adsorption clays in the presence of iron at basic pH: Adsorption mechanism and extraction method

In this work, the uptake mechanism and influence of iron (Fe) co-adsorption on the binding of rare-earth elements (REEs) on kaolinite have been investigated. REEs and varying concentrations of Fe were co-adsorbed onto kaolinite at pH 10.5. Inductively coupled plasma mass spectrometry (ICP-MS), powder X-ray diffraction (PXRD), and X-ray photoelectron spectroscopy (XPS) were used to characterize how Fe co-adsorption influenced the uptake mechanism of REEs on kaolinite. Elemental analysis by ICP-MS revealed that the REE concentrations on kaolinite were unaffected by the presence of Fe. Crystal structure of kaolinite, determined by PXRD, was not altered after REE and Fe co-adsorption. XPS suggests that the adsorbed Fe is in the form of FeOOH, while the greatly attenuated REE XPS signals upon Fe co-adsorption implies that REEs are encapsulated by Fe species. Based on these results, we conclude that FeOOH layers were formed on top of REEs on the surface of kaolinite. Synthesized REE-Fe-kaolinite samples respond poorly to ion-exchange leaching, indicating that Fe is detrimental to the REE ion-exchange efficiency. The inhibition of ion-exchange REE extraction appears to be due to the passivating FeOOH layers. In contrast to ion-exchange methods, reductive leaching was found to dissolve the FeOOH passivating layers and liberate REEs such that they became available for ion-exchange leaching.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

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↗

Zavitsas’ hydration model for electrolytes only stable in the presence of another: NaAl(OH) 4 in aqueous NaOH solution

Many aqueous electrolytes are only stable in the presence of another electrolyte, such as electrolytes that are only soluble in strong acid or base. An example is sodium aluminate [NaAl(OH) 4 ], which is only stable in aqueous NaOH. This complicates developing thermodynamic parameters because it is difficult to separate the contributions of individual electrolytes in multicomponent solutions to measured bulk thermodynamic properties. The present study develops a method to determine the liquid phase parameters from solubility data for Zavitsas’ Hydration model, a model that incorporates hydration parameters into the activities of dissolved species. Furthermore, this study uses gibbsite [Al(OH) 3 ] solubility data in aqueous NaOH solution to develop Zavitsas' model parameters for NaAl(OH) 4 simultaneously with the equilibrium constants. A good fit of the solubility data was found, showing that Zavitsas’ model is effective for this system.

Bayer process↗

Non-catalytic gas phase NO oxidation in the presence of decane

In this study, experiments without a catalyst revealed that NO was oxidized in a diesel exhaust gas phase mixture due to the presence of n -C 10 H 22 (decane). This reaction was observed to occur following the low temperature oxidation catalyst test protocol (LTC-D) defined by U.S. DRIVE. The purpose of LTC-D conditions is to simulate an aftertreatment diesel combustion gas mixture in order to test candidate catalyst materials. 100% NO conversion was observed, without a catalyst, after beginning to react at 330 °C accompanied by consumption of decane. After experiments that isolated hydrocarbons, ethylene was also observed to facilitate NO oxidation to a lesser degree (>470 °C). Density functional theory (DFT) calculations were conducted to investigate thermodynamically-possible initiating elementary steps during n -C 10 H 22 consumption and NO oxidation. Two feasible intermediate radicals to oxidize NO to NO 2 are ·C 10 H 21 O 2 and ·HO

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The presence of Ru metal modifies the behavior of deuterium bound to pyridinic nitrogen in doped graphene-like materials

We used a combination of x-ray photoelectron spectroscopy (XPS) and density functional theory (DFT) to investigate how the presence of a ruthenium (Ru) metal substrate modifies the N-D bond strength of the pyridinic nitrogen species in nitrogen (N)-doped graphene (Gr) on Ru(0001) compared to metal-free highly-oriented pyrolytic graphite (HOPG) substrate. The N-dopants were introduced through low-energy N+/N2+ irradiation. N is embedded in the carbon materials in two predominant configurations: as graphitic N (GN: N substituted in the hexagonal C lattice) and pyridinic N (PN: substitutional N adjacent to a C vacancy). XPS data showed that upon atomic deuterium (D) exposure at 220 K, the PN peak shifted to a higher binding energy by +1.2 eV for HOPG and +1.0 eV for N-doped graphene on Ru(0001), while the GN peak remained unchanged, indicating that the D atoms bound solely to pyridinic N. 85% of PN sites on HOPG can be saturated with D atoms, whereas only ~30% of pyridinic N sites are able to bind D atoms in N-doped Gr/Ru(0001). Our DFT analysis shows that this difference is due to the coordination of PN to Ru atoms, which necessitates bond cleavage of the N-Ru interaction prior to D atom adsorption. D begins desorbing from N-HOPG at ~573 K and is fully desorbed by ~973 K, whereas desorption from N-doped graphene on Ru(0001) begins at ~290 K, with complete desorption observed at ~700 K, indicating that the Ru metal weakens the N-D bond strength. We also studied a high-surface-area, layered, and porous N-doped carbon material, internally labeled NC900, which was synthesized by pyrolysis of glucose and graphitic carbon nitride (g-C3N4) at 1173 K. D exposure caused a +1.1 eV PN peak shift in NC900, with no change in the GN peak. Moreover, the NC900 exhibited the same desorption behavior as HOPG, demonstrating that well-defined model systems can effectively capture the behavior of more complex N-doped carbon materials.

Alupothe Gedara, Buddhika S.↗

Selective activation of methane C–H bond in the presence of methanol

Direct methane to methanol (MTM) conversion over heterogeneous catalysts is a promising route for valorization of methane. The methane C-H bond activation is considered as the key step of the MTM and is the focus of considerable research activity. However, the formed methanol typically suffers from overoxidation largely due to the cleavage of a methanol C-H bond, whose bond dissociation energy is ca. 0.5 eV lower than that of the methane C-H bond, which usually translates to a transition state energy of the methanol C-H bond cleavage that is ca. 0.55 eV lower than that of methane whenever the reactions proceed through a radical mechanism. Furthermore, we propose a general approach for decreasing the transition state energy difference between the CH 4 and CH 3 OH C-H bond dissociation. When a metal-oxide supported cationic transition metal atom and a neighboring oxygen on the oxide surface serve as the active site, the transition state energy difference through a surface-stabilized pathway can be noticeably narrowed as compared with that of a radical pathway. For Ir, Pt and Rh-doped anatase TiO 2 (101), the CH 4 C-H bond activation can be preferred over that of CH 3 OH at significant methanol mole fraction. Also, for PdAu alloys containing adsorbed oxygen and positively charged Pd, calculations suggest in agreement with recent experiments (Science 367 (6474), 193-197) that the CH 4 C-H bond can be selectively activated in the presence of CH 3 OH.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effect of melt shearing on D -mannitol crystal twisting in the presence of small molecule and macromolecular additives

Here, many molecular crystals grow as twisted lamellae from the melt when the driving force is high, but the mechanisms governing the spontaneous formation of helicoidal crystallites are varied and those operative in particular cases are difficult to identify. Polyvinylpyrrolidone (PVP) induces the crystallization of D-mannitol as banded spherulites comprised of twisted fibrils emanating radially from spherulite nucleation centers. The molecular weight of the PVP phase affects the twisting pitch, P, (rotation of the crystallite by 180°), in D-mannitol thin films crystallized from the melt. At a relatively high crystallization temperature (T c =130°C), P was sensitive to the PVP molecular weight, ranging from 390±20 μm for D-mannitol films incorporating 15 wt% 10 kDa PVP to 20±3 μm for the same weight of 1300 kDa PVP. Magnitudes of complex viscosities, |η*|, of D-mannitol/PVP melts measured via small-amplitude oscillatory shearing were strongly dependent on the PVP molecular weight, but were not correlated to P(T). Instead, P was sensitive to the dynamic PVP chain conformation during D-mannitol crystallization. Under steady torsional shear, P decreased from~30 μm to~8μm with increasing shear rates from 0.01 to 100 s -1 for D-mannitol films crystallized at 130°C in the presence of 15 wt% 10 or 1300 kDa PVP. Shear forces decrease the entanglement density of polymer chains while orienting the chains along the stream lines of the viscometric flow, indicating that the conformations of macromolecular additives can affect the pitch of banded spherulites. By contrast, P in D-mannitol twisted by D-sorbitol was independent of shear rate.

36 MATERIALS SCIENCE↗