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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A global comparison of surface and subsurface microbiomes reveals large-scale biodiversity gradients, and a marine-terrestrial divide

Subsurface environments are among Earth’s largest habitats for microbial life. Yet, until recently, we lacked adequate data to accurately differentiate between globally distributed marine and terrestrial surface and subsurface microbiomes. Here, we analyzed 478 archaeal and 964 bacterial metabarcoding datasets and 147 metagenomes from diverse and widely distributed environments. Microbial diversity is similar in marine and terrestrial microbiomes at local to global scales. However, community composition greatly differs between sea and land, corroborating a phylogenetic divide that mirrors patterns in plant and animal diversity. In contrast, community composition overlaps between surface to subsurface environments supporting a diversity continuum rather than a discrete subsurface biosphere. Differences in microbial life thus seem greater between land and sea than between surface and subsurface. Diversity of terrestrial microbiomes decreases with depth, while marine subsurface diversity and phylogenetic distance to cultured isolates rivals or exceeds that of surface environments. We identify distinct microbial community compositions but similar microbial diversity for Earth’s subsurface and surface environments.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Formation and annihilation of E4 centers in ZnO: Influence of hydrogen

Hydrothermally grown n-type ZnO bulk samples have been implanted with protons and deuterium ions to fluences in the range of 8 × 10{sup 10} to 8 × 10{sup 11 }cm{sup −2}. The implantations were performed at the temperature of 285 K, and the samples were then analyzed in-situ by deep level transient spectroscopy (DLTS) using a setup connected to the implanter beam line. The concentration of the so-called E4 center, having an apparent energy level at ∼0.57 eV below the conduction edge, is found to increase linearly with the ion fluence and the generation rate is proportional to the elastic energy deposition, as expected for a primary defect. Isothermal annealing of the E4 center at temperatures between 290 and 315 K reveals first-order kinetics with the activation energy of ∼0.6 eV. The annealing rate is strongly enhanced with increasing hydrogen fluence, and a model invoking migration of interstitial hydrogen and subsequent reaction with E4 exhibits close agreement with the experimental data. The rate of electron capture by E4 during the DLTS filling pulse depends on temperature, and it displays a thermal barrier of ∼0.15 eV. Most of these experimental results for E4 conform to the theoretically predicted properties of the oxygen vacancy (V{sub O}) and a tentative assignment of E4 to V{sub O} is made, corroborating previous suggestions in the literature. In particular, the 0.57 eV level is ascribed to the double donor state of V{sub O}.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Simulating water dynamics related to pedogenesis across space and time: Implications for four-dimensional digital soil mapping

Digital soil mapping (DSM) relies on machine-learning and geostatistics to represent soil property observations across space. DSM techniques are powerful but often empirical, being limited to the quality and density of point samples. Water dynamics are closely related to soil variability, and the physics that govern water movement are well known. Hydrological properties can hence be simulated by physical models through space and time, unveiling key characteristics about soils. We propose the use of hydrologic models to map soils across the surface (2D), depth (1D), and time (1D)–which provides a 4D approach to digital soil mapping (4DSM). The Distributed Hydrology Soil Vegetation Model (DHSVM) was applied to a watershed currently under pasture. Moisture sensors and wells were installed at different depths in the watershed on summit, sideslope and toeslope positions to validate the model. DHSVM simulations of soil moisture distribution and depth to saturation were performed during the hydrological year (October 2008-September 2009). Clusters of similar pixels based on soil moisture values were determined using Dynamic Time Warping (DTW) to align temporal data and K-means. Clustering was performed both seasonally and for the entire year. Temporal patterns simulated by DHSVM matched measurements given by moisture sensors and wells. Seasonal clusters differed from the annual cluster. Distinct clusters were observed for each season and with depth, showing that spatiotemporal soil variability is lost when statically assessing soils. Spatiotemporal clusters corroborated field observations of fragipan occurrence not explicitly spatially mapped by Soil Survey Geographic Database (SSURGO). If a connection can be made between water and soils, static and dynamic soil variability can be predicted using physically based hydrologic models. Hydrologic models can benefit soil mapping by enabling reliable 4D simulation of water dynamics, which are fundamental to soil variability and soil classification and directly relate to biological, physical and chemical soil processes not captured by typical soil sampling protocols.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Destabilizing high-capacity high entropy hydrides via earth abundant substitutions: From predictions to experimental validation

The vast chemical space of high entropy alloys (HEAs) makes trial-and-error experimental approaches for materials discovery intractable and often necessitates data-driven and/or first principles computational insights to successfully target materials with desired properties. In the context of materials discovery for hydrogen storage applications, a theoretical prediction-experimental validation approach can vastly accelerate the search for substitution strategies to destabilize high-capacity hydrides based on benchmark HEAs, e.g. TiVNbCr alloys. Here, in this study, machine learning predictions, corroborated by density functional theory calculations, predict substantial hydride destabilization with increasing substitution of earth-abundant Fe content in the (TiVNb) 75 Cr 25-x Fe x system. The as-prepared alloys crystallize in a single-phase bcc lattice for limited Fe content x < 7, while larger Fe content favors the formation of a secondary C14 Laves phase intermetallic. Short range order for alloys with x < 7 can be well described by a random distribution of atoms within the bcc lattice without lattice distortion. Hydrogen absorption experiments performed on selected alloys validate the predicted thermodynamic destabilization of the corresponding fcc hydrides and demonstrate promising lifecycle performance through reversible absorption/desorption. This demonstrates the potential of computationally expedited hydride discovery and points to further opportunities for optimizing bcc alloy ↔ fcc hydrides for practical hydrogen storage applications.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Hohlraum modeling for opacity experiments on the National Ignition Facility

This paper discusses the modeling of experiments that measure iron opacity in local thermodynamic equilibrium (LTE) using laser-driven hohlraums at the National Ignition Facility (NIF). A previous set of experiments fielded at Sandia's Z facility [Bailey et al., Nature 517, 56 (2015)] have shown up to factors of two discrepancies between the theory and experiment, casting doubt on the validity of the opacity models. The purpose of the new experiments is to make corroborating measurements at the same densities and temperatures, with the initial measurements made at a temperature of 160 eV and an electron density of 0.7 × 1022 cm−3. The X-ray hot spots of a laser-driven hohlraum are not in LTE, and the iron must be shielded from a direct line-of-sight to obtain the data [Perry et al., Phys. Rev. B 54, 5617 (1996)]. This shielding is provided either with the internal structure (e.g., baffles) or external wall shapes that divide the hohlraum into a laser-heated portion and an LTE portion. In contrast, most inertial confinement fusion hohlraums are simple cylinders lacking complex gold walls, and the design codes are not typically applied to targets like those for the opacity experiments. We will discuss the initial basis for the modeling using LASNEX, and the subsequent modeling of five different hohlraum geometries that have been fielded on the NIF to date. This includes a comparison of calculated and measured radiation temperatures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Error fields in the Wendelstein 7-X stellarator

The role of error fields in stellarators is explored in this work through simulations of, and experiments performed on, the Wendelstein 7-X (W7-X) stellarator. Previous experimental results, based on limiter plasmas in W7-X, suggest that error fields are small in the experiment based on limiter plasmas. In this work, we document results from the first divertor campaign on W7-X with a focus on error fields resonant with the edge island divertor structure. Measurements obtained using divertor thermocouples corroborate earlier limiter results that the error fields are small and correctable, requiring only 5% of the total rated current of the trim coil system. The effect of these error fields on magnetic geometry and topology are investigated using the flux surface measurement technique. The resulting divertor thermal load asymmetry is modeled via field line diffusion and compared to experimental data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Resonance and intercombination lines in Mg-like ions of atomic numbers Z = 13 – 92

While prominent lines of various Na-like ions have been measured with an accuracy of better than 100 ppm and corroborate equally accurate calculations, there have been remarkably large discrepancies between calculations for Mg-like ions of high atomic number. We present ab initio calculations using the multireference Moller-Plesset approach for Mg-like ions of atomic numbers Z = 13-92 and compare the results with other calculations of this isoelectronic sequence as well as with experimental data. Our results come very close to experiment (typically 100 ppm) over a wide range. Furthermore, data at high values of Z are sparse, which calls for further accurate measurements in this range where relativistic and QED effects are large.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

The Center for Momentum Transport and Flow Organization in Plasmas - Final Scientific Report

Overview of University of Colorado Efforts: The University of Colorado group has focused on two primary fronts during the grant period: development of a variety of multi-point diagnostic and/or imaging analysis techniques, and momentum-transport related experiments on a variety of devices (NSTX at PPPL, CSDX at UCSD, LAPD at UCLA, DIII-D at GA). Experimental work has taken advantage of several diagnostic instruments, including fast-framing cameras for imaging of electron density fluctuations (either directly or using injected gas puffs), ECEI for imaging of electron temperature fluctuations, and multi-tipped Langmuir and magnetic probes for corroborating measurements of Reynolds and Maxwell stresses. Mode Characterization in CSDX: We have performed a series of experiments at the CSDX linear device at UCSD, in collaboration with Center PI G. Tynan's group. The experiments included a detailed study of velocity estimation techniques, including direct comparisons between Langmuir probes and image-based velocimetry from fast-framing camera data. We used the camera data in a second set of studies to identify the spatial and spectral structure of coherent modes, which illuminates wave behavior to a level of detail previously unavailable, and enables direct comparison of dispersion curves to theoretical estimates. In another CSDX study, similar techniques were used to demonstrate a controlled transition from nonlinearly coupled discrete eigenmodes to fully developed broadband turbulence. The axial magnetic field was varied from 40-240 mT, which drove the transition. At low magnetic fields, the plasma is dominated by drift waves. As the magnetic field is increased, a strong potential gradient at the edge introduces an ExB shear-driven instability. At the transition, another mode with signatures of a rotation-induced Rayleigh–Taylor instability appears at the central plasma region. Concurrently, large axial velocities were found in the plasma core. For larger magnetic fields, all of the instabilities co-exist, leading to rich plasma dynamics and fully developed broadband turbulence. Edge-Turbulence and Flow Experiments in NSTX: A series of Gas Puff Imaging (GPI) observations on NSTX revealed a quasi-periodic oscillation in the plasma edge preceding the L-H transition in a limited set of neutral beam heated plasmas. These ~3 kHz flow oscillations exhibit both long wavelength and long correlation lengths, suggesting they are zonal-flow-like. The flow oscillations are strongly correlated with modulations of the level of edge turbulence, thus the system appears to undergo a predator--prey-type limit-cycle preceding the L-H transition. However, a clear trigger for the L-H transition was not observed. Reynolds stress profiles were obtained directly from image velocimetry for L-mode periods ELM-Precursor Studies in NSTX: A separate study based on NSTX-GPI data captured the two-dimensional evolution of edge-localized mode (ELM) precursors. Precursor events were observed preceding ELMs and ELM-induced H–L back-transitions in radio-frequency heated H-mode plasmas, and the growth of the precursor mode through the ELM filamentation was imaged in the plane perpendicular to the local B-field. Strong edge intensity modulations appeared to propagate in the electron diamagnetic direction while steadily drifting radially outwards. Intensity fluctuations were observed at frequencies around 20 kHz and wavenumbers of 0.05-0.2 cm -1 . Upon growing to a trigger point, precursor fluctuations were seen to form filamentary structures and move into the scrape-off layer (SOL) explosively with radial velocities peaking at 8 km/s. Once in the SOL, filaments reverse their propagation direction and travel in the ion diamagnetic direction. Edge intensity fluctuations were strongly correlated with magnetic signals from Mirnov coils, and toroidally distributed coils estimated toroidal mode numbers of n=5-10. Quantitatively similar precursors have been observed in ohmic H-mode plasmas as well, though significantly fewer events are seen in the ohmic cases and none were observed in the near-threshold NBI H-modes studied. Development of Velocimetry and Image Analysis Techniques: Along with the experiments listed above, the Colorado group has continued to explore various velocimetry techniques and their range of validity. We have developed a “linear optical flow” code, which calculates smooth velocity maps while accurately assessing local regions of high curl. This is critical for separating spatial scales of velocity behavior, and thus transport. This code has recently come on-line, and we are currently using it to revisit a number of older datasets. Additionally, we have worked on developing pattern-recognition techniques for imaging diagnostics, based on established digital image compression algorithms. This has the potential to open the analysis of turbulent plasma behavior beyond the well-trodden Fourier and wavelet approaches. Finally, we have extended several of these image-analysis routines to multiple other diagnostic sets, including GPI datasets in NSTX and ECEI imaging on DIII-D. In one study, correlation maps were used to measure the full 2-D mode structure of drift-wave level structures using ECEI for the first time. This enabled direct comparison to gyrokinetic simulations using the GEM code, from which is was determined that TEM modes were being measured in DIII-D.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Validation in the Absence of Observed Events

Here our paper addresses the problem of validating models in the absence of observed events, in the area of Weapons of Mass Destruction terrorism risk assessment. We address that problem with a broadened definition of “Validation,” based on “backing up” to the reason why modelers and decision makers seek validation, and from that basis re-define validation as testing how well the model can advise decision makers in terrorism risk management decisions. We develop that into two conditions: Validation must be based on cues available in the observable world; and it must focus on what can be done to affect that observable world, i.e. risk management. That in turn leads to two foci: 1.) the risk generating process, 2.) best use of available data. Based on our experience with nine WMD terrorism risk assessment models, we then describe three best use of available data pitfalls: SME confidence bias, lack of SME cross-referencing, and problematic initiation rates. Those two foci and three pitfalls provide a basis from which we define validation in this context in terms of four tests -- Does the model: … capture initiation? … capture the sequence of events by which attack scenarios unfold? … consider unanticipated scenarios? … consider alternative causal chains? Finally, we corroborate our approach against three key validation tests from the DOD literature: Is the model a correct representation of the simuland? To what degree are the model results comparable to the real world? Over what range of inputs are the model results useful?

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2025

Revealing the Structure and Dynamics of Self-Generated Electric and Magnetic Fields Near Plasma Stagnation in Laser-Driven Hohlraums

By coupling newly developed triparticle charged particle radiography with radiography reconstruction algorithms and novel reconstruction postprocessing techniques, the spatial structure and time evolution of self-generated electric and magnetic fields in laser-driven vacuum hohlraums have been quantitatively revealed. Through high-fidelity data from a series of experiments, it is shown that late in the hohlraum evolution (after the end of laser drive) these fields are strongly correlated in both space and time, providing evidence that their evolution is primarily dominated by advection with the plasma flow. At these late times, plasma flow velocities inferred from both gross radiography analysis and field reconstructions (and corroborated with Thomson scattering measurements) indicate that the plasma is approaching stagnation near the hohlraum axis. Finally, these experiments provide not only new physical insight into spontaneously generated hohlraum fields, but also provide important spatially and temporally resolved information for future benchmarking of numerical codes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Polarized Soft X-ray Scattering Reveals Chain Orientation within Nanoscale Polymer Domains

Fully conjugated donor-acceptor block copolymers can serve as the active layer in organic photovoltaics and other organic electronic devices. Additionally, self-assembly into periodic domains and crystallization of the constituent blocks are crucial to enable control of the multiscale structure and consequently electronic properties. Resonant soft X-ray scattering (RSoXS) is an invaluable tool to characterize such materials, where tuning the X-ray energy and polarization reveals molecular orientation and domain spacing. In this work, anisotropic soft X-ray scattering data reveal the type and degree of orientation within conjugated block copolymers composed of poly(3-hexylthiophene-2,5-diyl) and various push-pull copolymers. The maximum anisotropy is observed at the scattering vector corresponding to the spacing between block copolymer domains, which scales with the end-to-end distance of the blocks, as expected. Furthermore, the anisotropy in RSoXS data reveals that the crystalline P3HT blocks orient, on average, parallel or nearly parallel to the block copolymer interface; the average tilt angle between P3HT chains and domain interfaces can be extracted from the dependence of the anisotropy with polar angle. We interpret this angle to correspond to the average tilt of rings in the unit cell, potentially within a chiral mesostructure. Results are corroborated with scattering calculations based on simple model structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

In situ multimodal imaging for nanoscale visualization of tribofilm formation

A third of the energy from fuel combustion in passenger car gasoline engines is lost due to friction. Carefully designed engine lubricants can recover some of these losses by reducing friction and wear by forming a nanometer-scale chemico-physico tribofilm between surfaces. Accordingly, attention has focused on developing oil formulations that form low-friction tribofilms. However, analyses of resultant tribofilms are typically conducted after tribo-tests with conventional characterization tools and do not offer insights into tribofilm formation and evolution, precluding information critical to tuning tribofilm properties. In this work, we developed a unique multimodal methodology based on Atomic Force Microscopy (AFM) with local probe heating for in situ tribological studies that activates friction modifiers and simultaneously captures the evolution of friction and surface roughness, with nanometer resolution. As a platform to demonstrate the ability of this methodology to visualize dynamics of tribofilm formation in situ, we apply it to molybdenum-based friction modifiers to distinguish key factors in their functionality and correlate nanoscale AFM and Friction Force Microscopy data to bench tribo-tests used in the industry. To decode the formation mechanisms observed in situ and underlying chemistry of tribofilms, we performed ab initio Molecular Dynamics (AIMD) simulations at comparable conditions. AIMD simulations confirmed both nanoscale and bench tribo-test results and showed deviations in molecular organization in tribofilms that are formed from different molybdenum-based friction modifiers that corroborates with surface functionality. With this innovative methodology, we demonstrate proof-of-principle in situ formation of molybdenum-based tribofilms directly on steel surfaces that could be applied generally to studying tribofilm formation.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Nitrate vulnerability projections from Bayesian inference of multiple groundwater age tracers

Nitrate is a major source of contamination of groundwater in the United States and around the world. We tested the applicability of multiple groundwater age tracers ( 3 H, 3 He, 4 He, 14 C, 13 C, and 85 Kr) in projecting future trends of nitrate concentration in 9 long-screened, public drinking water wells in Turlock, California, where nitrate concentrations are increasing toward the regulatory limit. Very low 85 Kr concentrations and apparent 3 H/ 3 He ages point to a relatively old modern fraction (40–50 years), diluted with pre-modern groundwater, corroborated by the onset and slope of increasing nitrate concentrations. An inverse Gaussian–Dirac model was chosen to represent the age distribution of the sampled groundwater at each well. Model parameters were estimated using a Bayesian inference, resulting in the posterior probability distribution – including the associated uncertainty – of the parameters and projected nitrate concentrations. Three scenarios were considered, including combined historic nitrate and age tracer data, the sole use of nitrate and the sole use of age tracer data. Each scenario was evaluated based on the ability of the model to reproduce the data and the level of reliability of the nitrate projections. The tracer-only scenario closely reproduced tracer concentrations, but not observed trends in the nitrate concentration. Both cases that included nitrate data resulted in good agreement with historical nitrate trends. Use of combined tracers and nitrate data resulted in a narrower range of projections of future nitrate levels. However, use of combined tracer and nitrate resulted in a larger discrepancy between modeled and measured tracers for some of the tracers. In conclusion, despite nitrate trend slopes between 0.56 and 1.73 mg/L/year in 7 of the 9 wells, the probability that concentrations will increase to levels above the MCL by 2040 are over 95% for only two of the wells, and below 15% in the other wells, due to a leveling off of reconstructed historical nitrate loadings to groundwater since about 1990.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Disappearance of electron-hole asymmetry in nanoparticles of Nd{sub 1−x}Ca{sub x}MnO{sub 3}(x=0.6,0.4): magnetization and electron paramagnetic resonance evidence

We study and compare magnetic and electron paramagnetic resonance behaviors of bulk and nanoparticles of Nd{sub 1−x}Ca{sub x}MnO{sub 3} in hole doped (x=0.4;NCMOH) and electron doped (x=0.6;NCMOE) samples. NCMOH in bulk form shows a complex temperature dependence of magnetization M(T), with a charge ordering transition at ∼250 K, an antiferromagnetic (AFM) transition at ∼150 K, and a transition to a canted AFM phase/mixed phase at ∼80 K. Bulk NCMOE behaves quite differently with just a charge ordering transition at ∼280 K, thus providing a striking example of the so called electron-hole asymmetry. While our magnetization data on bulk samples are consistent with the earlier reports, the new results on the nanoparticles bring out drastic effects of size reduction. They show that M(T) behaviors of the two nanosamples are essentially similar in addition to the absence of the charge order in them thus providing strong evidence for vanishing of the electron-hole asymmetry in nanomanganites. This conclusion is further corroborated by electron paramagnetic resonance studies which show that the large difference in the “g” values and their temperature dependences found for the two bulk samples disappears as they approach a common behavior in the corresponding nanosamples.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

General study on the crystal, electronic and band structures, the morphological characterization, and the magnetic properties of the Sr{sub 2}DyRuO{sub 6} complex perovskite

A comprehensive investigation of the general properties of the Sr{sub 2}DyRuO{sub 6} complex perovskite was undertaken. Crystal structure characterization performed by X-ray diffraction measurements and Rietveld analysis allowed establishing that the material crystallizes in a distorted monoclinic perovskite-like structure belonging to the P2{sub 1}/n (#14) space group, with alternating distribution of Dy{sup 3} {sup +} (2c: 0, 0.5, 0) and Ru{sup 5} {sup +} (2d: 0.5, 0, 0). Because of the mismatch in the ionic radii, the DyO{sub 6} and RuO{sub 6} octahedra are forced to tilt around the cubic directions so as to optimize the Sr–O inter-atomic bond lengths. Morphological characterization carried out by scanning electron microscopy indicated a particle size D = 37.17 nm and an activation energy Q = 109.8 kJ/mol. Semi-quantitative compositional study, performed through energy-dispersive X-ray experiments, corroborated that the pure phase of the Sr{sub 2}DyRuO{sub 6} was correctly obtained. Magnetic properties determined from the fit of the Curie–Weiss law to the curves of magnetic susceptibility as a function of temperature showed that Sr{sub 2}DyRuO{sub 6} exhibits an antiferromagnetic-like behavior at low temperatures as a consequence of a magnetic transition at T = 38 K. Data collected with respect to the field dependence of the magnetization showed the existence of a weak ferromagnetic moment relationship with antiferromagnetic-like behavior. Density functional theory allowed establishing the optimum electronic structure for Sr{sub 2}DyRuO{sub 6}, and the study of the density of states showed that Dy{sup 3} {sup +} and Ru{sup 5} {sup +} are responsible for the magnetic character of the compound, with the prediction that at T = 0 K it behaves as a half-metallic material. The spin magnetic moment of the cell is close to 16 μ{sub B}, and the integer number of Bohr magneton is a signature of half-metallic character. Evolution of crystal structure at high temperature revealed that Sr{sub 2}DyRuO{sub 6} does not undergo any structural phase transitions, since the Bragg reflections [hkl] do not undergo changes, and the structure is preserved. - Highlights: • General properties of the Sr{sub 2}DyRuO{sub 6} complex perovskite are widely discussed. • Structural description of octahedral distortions from X-ray diffraction analysis is performed. • Morphological and compositional characteristics are related with the physical properties reported. • Antiferromagnetic response is discussed form experimental results. • Theoretical calculations reveal the possible half-metallic character of material.

36 MATERIALS SCIENCE↗
DOE OSTI2021

High‐Pressure Phase Stability and Thermoelastic Properties of Iron Carbonitrides and Nitrogen in the Deep Earth

Abstract Iron‐dominant metallic phases are likely the primary hosts for nitrogen in the reduced deep Earth, hence the storage of nitrogen in the lower mantle and the core is governed by the behavior of the Fe‐N‐C system at high temperatures and pressures. In this study, phase transitions and thermoelastic properties of iron carbonitrides were investigated at high pressure‐temperature conditions by diamond anvil cell experiments and first‐principles calculations. Experimental data revealed no phase transition in ε ‐type Fe 4 (N 0.6 C 0.4 ) or Fe 7 (N 0.75 C 0.25 ) 3 up to 60 GPa at room temperature. At high temperature, Fe 7 (N 0.75 C 0.25 ) 3 transforms into the Fe 3 C‐type phase at ∼27 GPa, and then into the Fe 7 C 3 ‐type phase at ∼45 GPa, which is also corroborated by our theoretical calculations. We found that the phase stability of iron carbonitrides mainly depends on the N/C ratio, and the elastic properties of iron carbonitrides are dominantly affected by the Fe/(N+C) ratio. Iron carbonitrides with diverse structures may be the main host for nitrogen in the deep mantle. Some iron carbonitride inclusions in lower mantle diamonds could be the residue of the primordial mantle or originate from subducted nitrogen‐bearing materials, rather than iron‐enriched phases of the outer core. In addition, our experiments confirmed the existence of Fe 7 C 3 ‐type Fe 7 C 3 ‐Fe 7 N 3 solid solutions above 40 GPa. Fe 7 C 3 ‐type Fe 7 (C, N) 3 has comparable density and thermoelastic properties to its isostructural endmembers and may be a promising candidate constituent of the Earth's inner core.

Huang, Shengxuan↗
DOE OSTI2014

Note: On the generation of sub-300 keV flash-X-rays using rod-pinch diode: An experimental investigation

Generation of flash X-rays (FXRs) at less than 500 keV is described with emphasis on experimental investigation. The pulser is a Tesla transformer-Water transmission line based pulsed power generator operating in double resonance mode to power a rod-pinch diode. The configuration of aspect ratio reported here falls much below the normally reported ratios for the rod-pinch diode operation. Experimental investigation at such low pulsed voltage has revealed “flowering” of the anode tip and “pitting” of the perspex window. A possible explanation in terms of Lorentz body force is discussed rather than the pinch mechanism generally suggested in literature. The experimental investigation for the FXR generation is corroborated by measuring the radiation dose using CaSO{sub 4} (Dy) thermo luminescent dosimeters.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Dynamic Power Network State Estimation with Asynchronous Measurements

The operation of distribution networks is becoming increasingly volatile, due to fast variations of renewables and, hence, net-loading conditions. To perform a reliable state estimation under these conditions, this paper considers the case where measurements from meters, phasor measurement units, and distributed energy resources are collected and processed in real time to produce estimates of the state at a fast time scale. Streams of measurements collected in real time and at heterogenous rates render the underlying processing asynchronous, and poses severe strains on workhorse state estimation algorithms. In this work, a real-time state estimation algorithm is proposed, where data are processed on the fly. Starting from a regularized least-squares model, and leveraging appropriate linear models, the proposed scheme boils down to a linear dynamical system where the state is updated based on the previous estimate and on the measurement gathered from a few available sensors. The estimation error is shown to be always bounded under mild condition. Numerical simulations are provided to corroborate the analytical findings.

24 POWER TRANSMISSION AND DISTRIBUTION↗