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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

A vacuum ultraviolet laser pulsed field ionization-photoion study of methane (CH 4 ): Determination of the appearance energy of methylium from methane with unprecedented precision and the resulting impact on the bond dissociation energies of CH 4 and CH 4 +

Here, we report on the successful implementation of a high-resolution vacuum ultraviolet (VUV) laser pulsed field ionization-photoion (PFI-PI) detection method for the study of unimolecular dissociation of quantum-state- or energy-selected molecular ions. As a test case, we have determined the 0 K appearance energy (AE 0 ) for the formation of methylium, CH 3 + , from methane, CH 4 , as AE 0 (CH 3 + /CH 4 ) = 14.32271 ± 0.00013 eV. This value has a significantly smaller error limit, but is otherwise consistent with previous laboratory and/or synchrotron-based studies of this dissociative photoionization onset. Furthermore, the sum of the VUV laser PFI-PI spectra obtained for the parent CH 4 + ion and the fragment CH 3 + ions of methane is found to agree with the earlier VUV pulsed field ionization-photoelectron (VUV-PFI-PE) spectrum of methane, providing unambiguous validation of the previous interpretation that the sharp VUV-PFI-PE step observed at the AE 0 (CH 3 + /CH 4 ) threshold ensues because of higher PFI detection efficiency for fragment CH 3 + than for parent CH 4 + . This, in turn, is a consequence of the underlying high- n Rydberg dissociation mechanism for the dissociative photoionization of CH 4 , which was proposed in previous synchrotron-based VUV-PFI-PE and VUV-PFI-PEPICO studies of CH 4 . The present highly accurate 0 K dissociative ionization threshold for CH 4 can be utilized to derive accurate values for the bond dissociation energies of methane and methane cation. For methane, the straightforward application of sequential thermochemistry via the positive ion cycle leads to some ambiguity because of two competing VUV-PFI-PE literature values for the ionization energy of methyl radical. The ambiguity is successfully resolved by applying the Active Thermochemical Tables (ATcT) approach, resulting in D 0 (H-CH 3 ) = 432.463 ± 0.027 kJ/mol and D 0 (H-CH 3 + ) = 164.701 ± 0.038 kJ/mol.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1973

A study of the electric field in an open magnetospheric model

Recently, Svalgaard and Heppner reported two separate features of the polar electromagnetic field that correlate with the dawn-dusk component of the interplanetary magnetic field. This work attempts to explain these findings in terms of properties of the open magnetosphere. The topology and qualitative properties of the open magnetosphere are first studied by means of a simple model, consisting of a dipole in a constant field. Many such properties are found to depend on the separation line, a curve connecting neutral points and separating different field line regimes. In the simple model it turns out that the electric field in the central polar cap tends to point from dawn to dusk for a wide variety of external fields, but, near the boundary of the polar cap, electric equipotentials are deformed into crescents.

Stern, D. P.↗
DOE OSTI2023

On the convexity of phase-field fracture formulations: Analytical study and comparison of various degradation functions

Efficient and accurate fracture modeling is of great importance in applications where catastrophic outcomes under extreme scenarios are possible. The phase-field (PF) approach to fracture received significant attention over the past decade, due to its capability to capture complicated fracture patterns (e.g., crack merging and branching). Specifically, crack initiation and propagation are modeled via minimization of the total energy functional, which is regularized with the aid of a phase field. Despite the promising results and modeling capabilities of the PF method in many applications, the solution of fracture problems remains computationally challenging mainly due to the non-convexity of the total energy functional with respect to the combined unknown (phase field and displacement) fields. Understanding the effects of their coupling on convexity is crucial in order to address frequently encountered hurdles in fracture modeling (e.g., inefficient solvers and non-physical crack nucleation). In this paper, we develop convexity criteria for a wide class of PF fracture formulations. For this class of formulations, the second variation of the total energy functional is expressed in terms of Hessian matrices (evaluated at individual material points). Depending on the choice of geometric crack functions and degradation functions, we classify the formulations into three categories and analytically study each one separately. To study the sign of the second variation, we derive inequalities which are satisfied at material points when the Hessian matrix is locally positive semi-definite. These inequalities provide objective criteria for comparing degradation functions. Finally, the applicability of the proposed convexity criteria is demonstrated in the context of a one-dimensional problem, solved using a conventional monolithic solver.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2014

Trigger of Standard and Blowout Solar Jets: I. Parametric Studies of the Magnetic Field Geometry

Context. Jets are dynamic, impulsive, well collimated plasma events developing at many different scales and in differentlayers of the solar atmosphere.Aims. Jets are believed to be induced by magnetic reconnection a process central to many astrophysical phenomena.Studying their dynamics can help us to better understand the processes acting in larger eruptive events (e.g. flares andcoronal mass ejection) as well as mass, magnetic helicity and energy transfer at all scale in the solar atmosphere. Therelative simplicity of their magnetic geometry and topology, compared with larger solar active events, makes jets idealcandidate for studying the fundamental role of reconnection in energetic events. Methods. In this study, using our state-of-the-art numerical solver ARMS, we present several parametric studies of anumerical three-dimensional magneto-hydrodynamic model of solar jet-like events. We study the impact of the magneticfield inclination and photospheric field distribution on the generation and properties of two types of observed solar jets:the so-called standard and blowout jets.Results. The present parametric studies validate our model of jets for different geometric properties of the magneticconfiguration. On one hand, a blowout jets is eventually always trigger for the range of parameters that we tested. The3D magnetic null-point configuration is a very robust structure for the energy storage and impulsive release characteristicof blowout jets. On the other hand, the existence of the standard jet depends on the magnetic geometry. We show thatthe reconnection occurring during the standard jet phase influences the properties of the trigger of the blowout jet.Conclusions. Our results allow us to better understand the energization, triggering and driving processes of standardand blowout jets. Our model allows us to predict the impulsiveness and energetics of jets in terms of the surroundingmagnetic field configuration. Finally we discuss the interpretation of standard jets and blowout jets and the physicalfactors that determine which type of jets will occur.

Pariat, E.↗
DOE OSTI2016

Systematic study of bubble nuclei in relativistic mean field model

We have theoretically studied potential bubble nuclei ({sup 20,22}O, {sup 34,36}Si, and {sup 46}Ar), which are experimentally accessible and have attracted several studies in the recent past. Relativistic mean field is employed in conjunction with the NL–SH parameter set. Our results show that among the possible candidates, {sup 22}Oand {sup 34}Si may be the most prominent candidates, showing significant depletion of density at the center, which could be verified experimentally in the near future with some of the experiments underway.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Improved Platform for the Benchtop Study of Complex Radiological Environments that Affect Fallout Formation: DHS Feasbility Study (Final Report)

Fallout analysis is a crucial field of study as it provides insight into the structural interactions that occur between radiological components and their surroundings following a nuclear event. Due to the complexity of actual fallout samples, setups like the plasma flow reactor (PFR) at LLNL have been developed to synthesize fallout in a controlled environment. While the PFR allows for control of parameters such as initial temperature, cooling rate, and concentration of radiological species, controlling the concentration of water has remained a challenge as samples are introduced into the setup via aqueous solution. To that end, our goal with this project was to develop methodologies to (1) monitor and (2) control the presence of water in the PFR. We found that a commercially available FTIR and MCT detector was sufficient to monitor the presence of both condensed and vapor-phase water, while a desolvating nebulizer could be used to control the amount of water injected into the system. In total, the results of this feasibility study have expanded the ability of the flow reactor to investigate key sensitivities that influence fallout formation.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
NASA NTRS1979

An experimental study of the flow field and pollutant formation in a two dimensional premixed, turbulent flame

Spark shadowgraphs, high-speed schlieren movies, and the tracing of individual eddies were used to study a turbulent reacting shear layer in a premixed propane/air flow. The flow took place in a two-dimensional combustor, and the flame was stabilized behind a rearward facing streamlined step. The data show that in the velocity range 7.5 to 22.5 m/sec the mixing layer is dominated by Brown-Roshko type large coherent structures in both reacting and nonreacting flows. Information on the eddies, the flame, and the distribution of gas concentrations is presented.

Ganji, A. R.↗
NASA NTRS1986

On the use of a sunward libration-point-orbiting spacecraft as an interplanetary magnetic field monitor for magnetospheric studies

In order to test the accuracy of using magnetometer data from a spacecraft orbiting the sunward libration point to determine the orientation of the interplanetary magnetic field (IMF), the angle between the IMF at ISEE 3, when it was positioned around the libration point, and at ISEE 1, orbiting the earth, has been calculated for a data set of 1-hour periods covering four months. For each period, a 10-minute average of ISEE 1 data is compared with 10-minute averages of ISEE 3 data at successively lagged intervals. It is concluded that the IMF orientation at a libration-point-orbiting spacecraft, lagged by the time required for the solar wind to convect to the earth, is a convenient predictor of IMF orientation near the earth, to within about 20-degree accuracy.

Kelly, T. J.↗
NASA NTRS2016

Planning, Implementation, and Scientific Goals of the Studies of Emissions and Atmospheric Composition, Clouds and Climate Coupling by Regional Surveys (SEAC4RS) Field Missions

The Studies of Emissions and Atmospheric Composition, Clouds and Climate Coupling by Regional Surveys (SEAC4RS) field mission based at Ellington Field, Texas, during August and September 2013 employed the most comprehensive airborne payload to date to investigate atmospheric composition over North America. The NASA ER-2, DC-8, and SPEC Inc. Learjet flew 57 science flights from the surface to 20 km. The ER-2 employed seven remote sensing instruments as a satellite surrogate and eight in situ instruments. The DC-8 employed 23 in situ and five remote sensing instruments for radiation, chemistry, and microphysics. The Learjet used 11 instruments to explore cloud microphysics. SEAC4RS launched numerous balloons, augmented Aerosol RObotic NETwork, and collaborated with many existing ground measurement sites. Flights investigating convection included close coordination of all three aircraft. Coordinated DC-8 and ER-2 flights investigated the optical properties of aerosols, the influence of aerosols on clouds, and the performance of new instruments for satellite measurements of clouds and aerosols. ER-2 sorties sampled stratospheric injections of water vapor and other chemicals by local and distant convection. DC-8 flights studied seasonally evolving chemistry in the Southeastern U.S., atmospheric chemistry with lower emissions of NOx and SO2 than in previous decades, isoprene chemistry under high and low NOx conditions at different locations, organic aerosols, air pollution near Houston and in petroleum fields, smoke from wildfires in western forests and from agricultural fires in the Mississippi Valley, and the ways in which the chemistry in the boundary layer and the upper troposphere were influenced by vertical transport in convective clouds.

Toon, Owen B.↗
DOE OSTI2023

Phase-Field Modeling of Materials Interfaces and Nanostructures

Nanostructured materials offer unique properties for a wide range of energy applications. Among various known processing methods, liquid metal dealloying (LMD)—the selective dissolution of a base alloy element into a metallic melt—has emerged as a powerful technique to produce a new class of nano-/meso-scale open porous and bicontinuous composite structures with ultra-high interfacial area. LMD has recently been complemented by the advent of vapor phase dealloying (VPD), a novel technique that exploits the selective evaporation of one element from a parent alloy containing elements with very different vapor pressures, thereby enabling to fabricate open nanoporous structures of various elements from less-noble metals to inorganic elements regardless of their chemical activity without requiring high LMD temperatures and chemical etching. Together LMD and VPD have greatly expanded the scope of dealloying techniques, limited by traditional electrochemical means to noble metals, and boosted the design of new functional and structural materials that combine a wide variety of elements. Topologically-connected open porous structures with ultra-high surface area allow mass transport within the structure while preserving structural integrity, enabling them to serve as catalysts, fuel cells, supercapacitors, or high-capacity battery materials. Bicontinuous composite structures in turn can display high strength and high ductility or superior radiation-damage resistance due to the ultra-high interface area between interpenetrating solid phases. This research program makes use of state-of-the-art computational methods to understand at a basic level the self-organizing dealloying process with main focus on dealloying kinetics and interfacial pattern formation at the dealloying front controlling initial structure size, topology, and phase compositions. Phase-field simulation studies of LMD focus on solid solutions, line compounds, and intermetallic systems that can form ternary composites by nucleation and growth of a new phase. Studies of VPD employ phase-field modeling and a hybrid method combining a kinetic Monte Carlo (KMC) model of evaporation and surface diffusion with molecular dynamics for vapor-phase transport inside nanopores. Simulations explore mechanisms of interface- and diffusion-controlled dealloying kinetics, both observed in VPD but not fundamentally understood. In addition, our newly developed multi-physics phase-field approach of large-volume-change phase transformations is being used to model novel 3D anode geometries based on dealloyed nanoporous structures including novel sandwiched graphene/Si/silica for highrate Li ion battery. Those studies are aimed at elucidating geometric design principles that improve mechanical stability. We expect this research to enhance the capability to tailor nano-/mesoscale structures for a wide range of energy-related materials applications and to yield further advances in computational methodologies that benefit a broad materials research community.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Evaluation of Lower East Fork Poplar Creek Mercury Sources

This report summarizes a 3-year research project undertaken to better understand the nature and magnitude of mercury (Hg) fluxes in East Fork Poplar Creek (EFPC). This project addresses the requirements of Action Plan 1 in the 2011 Oak Ridge Reservation-wide Comprehensive Environmental Response, Compensation, and Liability Act Five Year Review (FYR). The Action Plan is designed to address a twofold 2011 FYR issue: (1) new information suggests mobilization of mercury from the upper and lower EFPC streambeds and stream banks is the primary source of mercury export during high-flow conditions, and (2) the current Record of Decision did not address the entire hydrologic system and creek bank or creek bed sediments. To obtain a more robust watershed-scale understanding of mercury sources and processes in lower EFPC (LEFPC), new field and laboratory studies were coupled with existing data from multiple US Department of Energy programs to develop a dynamic watershed and bioaccumulation model. LEFPC field studies for the project focused primarily on quantification of streambank erosion and an evaluation of mercury dynamics in shallow groundwater adjacent to LEFPC and potential connection to the surface water. The approach to the stream bank study was innovative in using imagery from kayak floats’ surveys from the headwaters to the mouth of EFPC to estimate erosion, coupled with detailed bank soil mercury analyses. The goal of new field assessments and modeling was to generate a more holistic and quantitative understanding of the watershed and the sources, flux, concentration, transformation, and bioaccumulation of inorganic mercury (IHg) and methylmercury (MeHg). Model development used a hybrid approach that dynamically linked a spreadsheet-based physical and chemical watershed model to a systems dynamics, mercury bioaccumulation model for key fish species. The watershed model tracks total Hg and MeHg fluxes and concentrations by examining upstream inputs, floodplain runoff, floodplain leaching, bank soil erosion, and periphyton matrix dynamics. The bioaccumulation model tracks the feeding, growth, and mercury assimilation of representative individual fish through their typical life span using key inputs of fish size, water temperature, and diet. The LEFPC watershed was divided into five modeling reaches, and fluxes and concentrations are assessed at this spatial scale. Following are the key findings of the field and laboratory studies and the watershed and bioaccumulation modeling: • The greatest flux of total mercury (HgT) in LEFPC is related to stormflow transport of Hg-contaminated solids entering the creek because of bank erosion in the upper reaches of the creek. • The second greatest flux originates from upper EFPC (Station 17 representing the exit stream sampling point near the boundary of the Y-12 Complex), and appears to control base flow fluxes. • The observed increase in MeHg concentration and flux from upstream to downstream is related primarily to instream methylation by periphyton and other biological activity. • A meaningful substantial reduction of the HgT flux in LEFPC would require addressing the flux of HgT originating from bank erosion and from Station 17. • Actions to reduce LEFPC floodplain leaching and runoff would not produce much of an impact on HgT or MeHg concentrations or fluxes unless other major sources are eliminated first. This project addresses the Action Plan goal to evaluate the role of LEFPC bank soil sources and to consider the entire EFPC hydrologic system. Model conclusions are dependent on the data available at the time of this assessment. However, a robust understanding and quantification for some mercury-related parameters and relationships is still lacking; there is a continued need for field data collection and modeling improvements. Model predictions should be viewed cautiously, with comparisons of the magnitude of predictions between scenarios being more valid than absolute predictions of concentrations or fluxes. With continued updates and refinement, the watershed-scale model can be a useful, valuable tool for future EFPC research prioritization, technology development, and remedial decision-making.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

The Mean-Field Theory for the Study of the Magnetocaloric Effect of Nd{sub 0.67}Ba{sub 0.33}Mn{sub 0.98}Fe{sub 0.02}O{sub 3} Manganite

In this paper, we exploit the mean-field theory and the Bean-Rodbell model to justify the magnetocaloric effect (MCE) on Nd{sub 0.67}Ba{sub 0.33}Mn{sub 0.98}Fe{sub 0.02}O{sub 3} manganite. The modeling of magnetic properties was investigated. The Bean-Rodbell equation of state leads the system to second-order ferromagnetic (FM)-paramagnetic (PM) phase transition. The expressions describing the magnetic entropy change under the influence of magnetic field have been derived. A large magnetic entropy has been observed in our sample with a peak centered on the Curie temperature. The theoretical calculations are compared with experimental behavior.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Mean-Field and Monte Carlo Studies of the Magnetic Properties of a Spin-7/2 and Spin-5/2 Ising Bilayer Film

We use standard Monte Carlo simulations based on the Metropolis algorithm and mean-field calculations to investigate the magnetic properties of an Ising bilayer film consisting of two superposed ferromagnetic squared lattices A and B whose magnetic atoms have spin 7/2 and 5/2 respectively. Crystal-field and external magnetic field effects on the spins are considered in the model. The magnetic order parameters and response functions are calculated as functions of the temperature for selected values of the model parameters and this enables one to devise thermal phase diagrams by both methods. Our calculations only reveal second-order phase boundaries. Under appropriate conditions, compensation point phenomena are detected in the calculations below the critical temperatures. When the system is exposed to the external magnetic constraint, attracting hysteresis phenomena are sometimes generated. The temperature dependence of the coercitive field for various values of the crystal-field is singled out.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Experimental study of the edge radial electric field in different drift configurations and its role in the access to H-mode at ASDEX Upgrade

The formation of the equilibrium radial electric field (Er) has been studied experimentally at ASDEX Upgrade (AUG) in L-modes of “favorable” (ion ∇ B-drift toward primary X-point) and “unfavorable” (ion ∇ B-drift away from primary X-point) drift configurations, in view of its impact on H-mode access, which changes with drift configurations. Edge electron and ion kinetic profiles and impurity velocity and mean-field Er profiles across the separatrix are investigated, employing new and improved measurement techniques. The experimental results are compared to local neoclassical theory as well as to a simple 1D scrape-off layer (SOL) model. It is found that in L-modes of matched heating power and plasma density, the upstream SOL Er and the main ion pressure gradient in the plasma edge are the same for either drift configurations, whereas the Er well in the confined plasma is shallower in unfavorable compared to the favorable drift configuration. The contributions of toroidal and poloidal main ion flows to Er, which are inferred from local neoclassical theory and the experiment, cannot account for these observed differences. Furthermore, it is found that in the L-mode, the intrinsic toroidal edge rotation decreases with increasing collisionality and it is co-current in the banana-plateau regime for all different drift configurations at AUG. This gives rise to a possible interaction of parallel Pfirsch–Schlüter flows in the SOL with the confined plasma. Thus, the different H-mode power threshold for the two drift configurations cannot be explained in the same way at AUG as suggested by LaBombard et al. [Phys. Plasmas 12, 056111 (2005)] for Alcator C-Mod. Finally, comparisons of Er profiles in favorable and unfavorable drift configurations at the respective confinement transitions show that also the Er gradients are all different, which indirectly indicates a different type or strength of the characteristic edge turbulence in the two drift configurations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1995

Lightning forecasting studies using LDAR, LLP, field mill, surface mesonet, and Doppler radar data

The ultimate goal of this research is to develop rules, algorithms, display software, and training materials that can be used by the operational forecasters who issue weather advisories for daily ground operations and launches by NASA and the United States Air Force to improve real-time forecasts of lightning. Doppler radar, Lightning Detection and Ranging (LDAR), Lightning Location and Protection (LLP), field mill (Launch Pad Lightning Warning System -- LPLWS), wind tower (surface mesonet) and additional data sets have been utilized in 10 case studies of thunderstorms in the vicinity of KSC during the summers of 1994 and 1995. These case studies reveal many intriguing aspects of cloud-to-ground, cloud-to-cloud, in-cloud, and cloud-to-air lightning discharges in relation to radar thunderstorm structure and evolution. They also enable the formulation of some preliminary working rules of potential use in the forecasting of initial and final ground strike threat. In addition, LDAR and LLP data sets from 1993 have been used to quantify the lightning threat relative to the center and edges of LDAR discharge patterns. Software has been written to overlay and display the various data sets as color imagery. However, human intervention is required to configure the data sets for proper intercomparison. Future efforts will involve additional software development to automate the data set intercomparisons, to display multiple overlay combinations in a windows format, and to allow for animation of the imagery. The software package will then be used as a tool to examine more fully the current cases and to explore additional cases in a timely manner. This will enable the formulation of more general and reliable forecasting guidelines and rules.

Forbes, Gregory S.↗
DOE OSTI2018

A Phase-Field Lattice-Boltzmann Study on Dendritic Growth of Al-Cu Alloy Under Convection

Effects of convection (forced and natural) on dendritic evolution of the Al-Cu alloy were investigated using a phase-field lattice-Boltzmann approach. The non-linear coupled equations were solved by applying a parallel and adaptive mesh refinement algorithm. Important physical aspects including dendritic fragmentation, splitting, and formation of solute plumes were simulated. Results showed that the dendritic growth patterns under convection exhibited remarkable difference from those without convection. The presence of flow led to variation of solute diffusion and upstream–downstream dendritic growth difference, which further influenced the development of dendritic arms and multi-dendritic competitive growth. When the convection intensity was magnified, the convection-induced anisotropy became dominated, and the growth patterns changed accordingly to accommodate the local thermodynamic variation.

36 MATERIALS SCIENCE↗