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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 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

The Impact of Variable Land-Atmosphere Coupling on Convective Cloud Populations Observed During the 2016 HI-SCALE Field Campaign

We use a Large Eddy Simulation (LES) model with a nested domain configuration (297 and 120 km wide) and an interactive land surface parameterization to simulate the complex population of shallow clouds observed on August 30, 2016 during the Holistic Interactions of Shallow Clouds, Aerosols, and Land-Ecosystems (HI-SCALE) campaign conducted in north-central Oklahoma. Shallow convective clouds first formed over southeast Oklahoma and then spread towards the northwest into southern Kansas. By the early afternoon, the relatively uniform shallow cloud field became more complex in which some regions became nearly cloud free and in other regions larger shallow clouds developed with some transitioning to deeper, precipitating convection. We show that the model reproduces the observed heterogeneity in the cloud populations only when realistic variations in soil moisture are used to initialize the model. While more variable soil moisture and to a lesser extend cool lake temperatures drive the initial spatial heterogeneity in the cloud populations, precipitation-driven cold pools become an important factor after 1300 CST. When smoother soil moisture variations are used in the model, more uniform shallow cloud populations are predicted with far fewer clouds that transition to deeper, precipitating convection that produce cold pools. An algorithm that tracks thousands of individual cumulus show that the more realistic soil moisture distributions produces clouds that are larger and have a longer lifetime. The results suggest that shallow and deep convection parameterizations used by mesoscale models need to account for the effects of variable land-atmosphere interactions and cold pools.

Fast, Jerome D.↗
DOE OSTI2020

Low Molecular Weight Dissolved Organic Carbon: Aging, Compositional Changes, and Selective Utilization During Global Ocean Circulation

The composition and cycling dynamics of marine dissolved organic carbon (DOC) have received increased interest in recent years; however, little research has focused on the refractory, low molecular weight (LMW) component that makes up the majority of this massive C pool. In this study, we measured stable isotopic (δ 13 C), radioisotopic (Δ 14 C), and compositional (C/N, 13 C solid-state NMR) properties of separately isolated high molecular weight (HMW) and LMW DOC fractions collected using a coupled ultrafiltration and solid phase extraction approach from throughout the water column in the North Central Pacific and Central North Atlantic. The selective isolation of LMW DOC material allowed the first investigation of the composition and cycling of a previously elusive fraction of the DOC pool. The structural composition of the LMW DOC material was homogeneous throughout the water column and closely matched carboxylic-rich alicyclic material that has been proposed as a major component of the marine refractory DOC pool. Examination of offsets in the measured parameters between the deep waters of the two basins provides the first direct assessment of changes in the properties of this material with aging and utilization during ocean circulation. While our direct measurements largely confirm hypotheses regarding the relative recalcitrance of HMW and LMW DOC, we also demonstrate a number of novel observations regarding the removal and addition of DOC during global ocean circulation, including additions of fresh carbohydrate-like HMW DOC to the deep ocean and large-scale removal of both semilabile HMW and recalcitrant LMW DOC.

58 GEOSCIENCES↗
DOE OSTI2023

Standardized Data to Improve Understanding and Modeling of Soil Nitrogen at Continental Scale

Abstract Nitrogen (N) is a key limiting nutrient in terrestrial ecosystems, but there remain critical gaps in our ability to predict and model controls on soil N cycling. This may be in part due to lack of standardized sampling across broad spatial–temporal scales. Here, we introduce a continentally distributed, publicly available data set collected by the National Ecological Observatory Network (NEON) that can help fill these gaps. First, we detail the sampling design and methods used to collect and analyze soil inorganic N pool and net flux rate data from 47 terrestrial sites. We address methodological challenges in generating a standardized data set, even for a network using uniform protocols. Then, we evaluate sources of variation within the sampling design and compare measured net N mineralization to simulated fluxes from the Community Earth System Model 2 (CESM2). We observed wide spatiotemporal variation in inorganic N pool sizes and net transformation rates. Site explained the most variation in NEON’s stratified sampling design, followed by plots within sites. Organic horizons had larger pools and net N transformation rates than mineral horizons on a sample weight basis. The majority of sites showed some degree of seasonality in N dynamics, but overall these temporal patterns were not matched by CESM2, leading to poor correspondence between observed and modeled data. Looking forward, these data can reveal new insights into controls on soil N cycling, especially in the context of other environmental data sets provided by NEON, and should be leveraged to improve predictive modeling of the soil N cycle.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Combining spectroscopic and isotopic techniques gives a dynamic view of phosphorus cycling in soil

Current understanding of phosphorus (P) cycling in soils can be enhanced by integrating previously discrete findings concerning P speciation, exchange kinetics, and the underlying biological and geochemical processes. Here, we combine sequential extraction with P K-edge X-ray absorption spectroscopy and isotopic methods ( 33 P and 18 O in phosphate) to characterize P cycling on a climatic gradient in Hawaii. We link P pools to P species and estimate the turnover times for commonly considered P pools. Dissolved P turned over in seconds, resin-extractable P in minutes, NaOH-extractable inorganic P in weeks to months, and HCl-extractable P in years to millennia. Furthermore, we show that in arid-zone soils, some primary mineral P remains even after 150 ky of soil development, whereas in humid-zone soils of the same age, all P in all pools has been biologically cycled. The integrative information we provide makes possible a more dynamic, process-oriented conceptual model of P cycling in soils.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

14 C evidence that millennial and fast-cycling soil carbon are equally sensitive to warming

The Arctic is expected to shift from a sink to a source of atmospheric CO 2 this century due to climate-induced increases in soil carbon mineralization1. The magnitude of this effect remains uncertain, largely because temperature sensitivities of organic matter decomposition and the distribution of these temperature sensitivities across soil carbon pools are not well understood. Here, a new analytical method with natural abundance radiocarbon was used to evaluate temperature sensitivities across soil carbon pools. With soils from $Utqia\dot{g}vik$ (formerly Barrow), Alaska, an incubation experiment was used to evaluate soil carbon age and decomposability, disentangle the effects of temperature and substrate depletion on carbon mineralization, and compare temperature sensitivities of fast-cycling and slow-cycling carbon. Old, historically stable carbon was shown to be vulnerable to decomposition under warming. Using radiocarbon to differentiate between slow-cycling and fast-cycling carbon, temperature sensitivity was found to be invariant among pools, with a Q 10 of ~2 irrespective of native decomposition rate. Lastly, these findings suggest that mechanisms other than chemical recalcitrance mediate the effect of warming on soil carbon mineralization.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Microbial models with minimal mineral protection can explain long-term soil organic carbon persistence

Soil organic carbon (SOC) models currently in widespread use omit known microbial processes, and assume the existence of a SOC pool whose intrinsic properties confer persistence for centuries to millennia, despite evidence from priming and aggregate turnover that cast doubt on the existence of SOC with profound intrinsic stability. Here we show that by including microbial interactions in a SOC model, persistence can be explained as a feedback between substrate availability, mineral protection and microbial population size, without invoking an unproven pool that is intrinsically stable for centuries. The microbial SOC model based on this concept reproduces long-term data (r 2 = 0.92; n = 90), global SOC distribution (rmse = 4.7 +/– 0.6 kg C m –2 ), and total global SOC in the top 0.3 m (822 Pg C) accurately. SOC dynamics based on a microbial feedback without stable pools are thus consistent with global SOC distribution. This has important implications for carbon management, suggesting that relatively fast cycling, rather than recalcitrant, SOC must form the primary target of efforts to build SOC stocks.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Resonance excitation of surface capillary waves to enhance material removal for laser material processing

Abstract The results of detailed experiments and high fidelity modeling of melt pool dynamics, droplet ejections and hole drilling produced by periodic modulation of laser intensity are presented. Ultra-high speed imaging revealed that melt pool oscillations can drive large removal of material when excited at the natural oscillation frequency. The physics of capillary surface wave excitation is discussed and simulation is provided to elucidate the experimental results. The removal rates and drill through times as a function of driving frequency is investigated. The resonant removal mechanism is driven by both recoil momentum and thermocapillary force but the key observation is the latter effect does not require evaporation of material, which can significantly enhance the efficiency for laser drilling process. We compared the drilling of holes through a 2 mm-thick Al plate at modulation frequencies up to 20 kHz. At the optimal frequency of 8 kHz, near the resonant response of the melt pool, the drilling efficiency is greater than 10x with aspect ratio of 12:1, and without the collateral damage that is observed in unmodulated CW drilling.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Multiscale hierarchical and heterogeneous mechanical response of additively manufactured novel Al alloy investigated by high-resolution nanoindentation mapping

Smart alloying and microstructural engineering mitigate challenges associated with laser-powder bed fusion additive manufacturing (L-PBFAM). A novel Al–Ni–Ti–Zr alloy utilized grain refinement by heterogeneous nucleation and eutectic solidification to achieve superior performance-printability synergy. Conventional mechanical testing cannot delineate complex micromechanics of such alloys. This study combined multiscale nanomechanical and microstructural mapping to illustrate mechanical signatures associated with hierarchical heat distribution and rapid solidification of L-PBFAM. The disproportionate hardening effect imparted by Al 3 (Ti,Zr) precipitates in the pool boundaries and the semi-solid zone was successfully demonstrated. Nanomechanical response associated with heterogeneity in particle volume fraction and coherency across melt pool was interpreted from nanoindentation force–displacement curves. The hardness map effectively delineated the weakest and strongest sections in the pool with microscopic accuracy. The presented approach serves as a high throughput methodology to establish the chemistry-processing-microstructure-properties correlation of newly designed alloys for L-PBFAM.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Mechanisms of woody-plant mortality under rising drought, CO 2 and vapour pressure deficit

Drought-associated woody plant mortality may have increased over the past several decades, and is projected to increase in the future, impacting terrestrial climate forcing, biodiversity, and resource availability. The mechanisms underlying such mortality, however, are debated owing to interactions between multiple drivers and mechanisms. In this work, we synthesize knowledge of drought-related tree mortality under a warming and drying atmosphere with rising atmospheric CO 2 . Drought-associated mortality results from the depletion of pools of water and carbon within a plant and declines in their fluxes relative to demand by living tissues. These pools and fluxes are interdependent and underlay plant defenses against biotic agents. Death via failure to maintain a positive water balance is particularly dependent on soil-to-root conductance, capacitance, vulnerability to hydraulic failure, cuticular water losses, and dehydration tolerance, all of which could be exacerbated by reduced carbon supply rates to support cellular survival e.g. the carbon starvation process. The depletion of plant water and carbon pools accelerates under rising vapor pressure deficit; however, increasing CO 2 can mitigate these impacts. Advancing knowledge and reducing predictive uncertainties requires studies that integrate carbon, water, and defensive processes, and utilize a range of experimental and modeling approaches.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Evidence for the existence and ecological relevance of fast-cycling mineral-associated organic matter

Longstanding theories and models classify mineral-associated organic matter as the large ( ~ 60%) but slow-cycling and persistent portion of soil organic matter. Strong physico-chemical interactions and diffusion limitations restrict the turnover of mineral-associated organic matter, allowing carbon and nitrogen bound therein to persist in soil for as long as centuries to millennia. However, mineral-associated organic matter is a chemically and functionally diverse pool with a substantial portion cycling at relatively fast (i.e., minutes to years) timescales. Despite a growing body of evidence for the heterogenous and multi-pool nature of mineral-associated organic matter, we lack consensus on how to conceptualize and directly quantify fast-cycling mineral-associated organic matter and its ecological significance. We demonstrate that the dynamic qualities of fast-cycling mineral-associated organic matter vary based on 1) the chemistry of the mineral particles and organic matter, 2) the complex set of interactions between organic matter and the mineral matrix, and 3) the presence and strength of destabilizing forces that lead to decomposition or loss of mineral-associated organic matter (i.e., plant-microbe interactions, agricultural intensification, and climate change). Finally, we discuss potential implications and research opportunities for how we measure, manage, and model the dynamic subfraction of this otherwise persistent pool of soil organic matter.

Biological and medical sciences↗
DOE OSTI2017

Ecosystem Composition Controls the Fate of Rare Earth Elements during Incipient Soil Genesis

The rare earth elements (REE) are increasingly important in a variety of science and economic fields, including (bio)geosciences, paleoecology, astrobiology, and mining. However, REE distribution in early rock-microbe-plant systems has remained elusive. We tested the hypothesis that REE mass-partitioning during incipient weathering of basalt, rhyolite, granite and schist depends on the activity of microbes, vascular plants (Buffalo grass), and arbuscular mycorrhiza. Pore-water element abundances revealed a rapid transition from abiotic to biotic signatures of weathering, the latter associated with smaller aqueous loss and larger plant uptake. Abiotic dissolution was 39% of total denudation in plant-microbes-mycorrhiza treatment. Microbes incremented denudation, particularly in rhyolite, and this resulted in decreased bioavailable solid pools in this rock. Total mobilization (aqueous + uptake) was ten times greater in planted compared to abiotic treatments, REE masses in plant generally exceeding those in water. Larger plants increased bioavailable solid pools, consistent with enhanced soil genesis. Mycorrhiza generally had a positive effect on total mobilization. The main mechanism behind incipient REE weathering was carbonation enhanced by biotic respiration, the denudation patterns being largely dictated by mineralogy. A consistent biotic signature was observed in La:phosphate and mobilization: solid pool ratios, and in the pattern of denudation and uptake.

58 GEOSCIENCES↗
DOE OSTI2020

Determination of excited state molecular structures from time-resolved gas-phase X-ray scattering

We present a comprehensive investigation of a recently introduced method to determine transient structures of molecules in excited electronic states with sub-ångstrom resolution from time-resolved gas-phase scattering signals. The method, which is examined using time-resolved X-ray scattering data measured on the molecule N-methylmorpholine (NMM) at the Linac Coherent Light Source (LCLS), compares the experimentally measured scattering patterns against the simulated patterns corresponding to a large pool of molecular structures to determine the full set of structural parameters. In addition, we examine the influence of vibrational state distributions and find the effect negligible within the current experimental detection limits, despite that the molecules have a comparatively high internal vibrational energy. Here, the excited state structures determined using three structure pools generated using three different computational methods are in good agreement, demonstrating that the procedure is largely independent of the computational chemistry method employed as long as the pool is sufficiently expansive in the vicinity of the sought structure and dense enough to yield good matches to the experimental patterns.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2013

On the infrared fluorescence of monolayer {sup 13}CO:NaCl(100)

Computations are presented to describe and analyze the high levels of infrared laser induced vibrational excitation of a monolayer of absorbed {sup 13}CO on a NaCl(100) surface. Extending the vibrational site-to-site surface hopping technique of Corcelli and Tully, kinetic Monte Carlo computations are used to incorporate single-quantum vibrational pooling and depooling of the {sup 13}CO by phonon excitation to allow up to the n = 45 vibrational state under different lasing conditions. Previously unpredicted pooling peaks at n > 16 are calculated and, under the highest fluence conditions, pooling up to the n = 32 state is found in the calculation. These results lead to the prediction of a secondary local maximum in the dispersed fluorescence of monolayer CO:NaCl(100) under sufficiently high fluence excitation conditions. At times on the order of ms, we recover similar behavior for both high and low fluence results. The calculations confirm that, for situations where the Debye frequency limited n domain restriction approximately holds, the vibrational state population deviates from a Boltzmann population linearly in n, a result that we have derived earlier theoretically for a domain of n restricted to one-phonon transfers. This theoretically understood term, linear in n, dominates the Boltzmann term and is responsible for the inversion of the population of vibrational states, P{sub n}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Investigation of the impact of insulator material on the performance of dissimilar electrode metal-insulator-metal diodes

The performance of thin film metal-insulator-metal (MIM) diodes is investigated for a variety of large and small electron affinity insulators using ultrasmooth amorphous metal as the bottom electrode. Nb{sub 2}O{sub 5}, Ta{sub 2}O{sub 5}, ZrO{sub 2}, HfO{sub 2}, Al{sub 2}O{sub 3}, and SiO{sub 2} amorphous insulators are deposited via atomic layer deposition (ALD). Reflection electron energy loss spectroscopy (REELS) is utilized to measure the band-gap energy (E{sub G}) and energy position of intrinsic sub-gap defect states for each insulator. E{sub G} of as-deposited ALD insulators are found to be Nb{sub 2}O{sub 5} = 3.8 eV, Ta{sub 2}O{sub 5} = 4.4 eV, ZrO{sub 2} = 5.4 eV, HfO{sub 2} = 5.6 eV, Al{sub 2}O{sub 3} = 6.4 eV, and SiO{sub 2} = 8.8 eV with uncertainty of ±0.2 eV. Current vs. voltage asymmetry, non-linearity, turn-on voltage, and dominant conduction mechanisms are compared. Al{sub 2}O{sub 3} and SiO{sub 2} are found to operate based on Fowler-Nordheim tunneling. Al{sub 2}O{sub 3} shows the highest asymmetry. ZrO{sub 2}, Nb{sub 2}O{sub 5}, and Ta{sub 2}O{sub 5} based diodes are found to be dominated by Frenkel-Poole emission at large biases and exhibit lower asymmetry. The electrically estimated trap energy levels for defects that dominate Frenkel-Poole conduction are found to be consistent with the energy levels of surface oxygen vacancy defects observed in REELS measurements. For HfO{sub 2}, conduction is found to be a mix of trap assisted tunneling and Frenkel-Poole emission. Insulator selection criteria in regards to MIM diodes applications are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Effect of secondary emission on the argon plasma afterglow with large dust density

A zero-dimensional, space-averaged model for argon plasma afterglow with large dust density is developed. In the model, three groups of electrons in the plasma afterglow are assumed: (i) thermal electrons with Maxwellian distribution, (ii) energetic electrons generated by metastable-metastable collisions (metastable pooling), and (iii) secondary electrons generated at collisions of ions with the electrodes, which have sufficiently large negative voltages in the afterglow. The model calculates the time-dependencies for electron densities in plasma afterglow based on experimental decay times for metastable density and electrode bias. The effect of secondary emission on electron density in the afterglow is estimated by varying secondary emission yields. It is found that this effect is less important than metastable pooling. The case of dust-free plasma afterglow is considered also, and it is found that in the afterglow the effect of secondary emission may be more important than metastable pooling. The secondary emission may increase thermal electron density n{sub e} in dust-free and dusty plasma afterglows on a few ten percentages. The calculated time dependencies for n{sub e} in dust-free and dusty plasma afterglows describe well the experimental results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

A laser powder bed fusion system for operando synchrotron x-ray imaging and correlative diagnostic experiments at the Stanford Synchrotron Radiation Lightsource

Laser powder bed fusion (LPBF) is a highly dynamic multi-physics process used for the additive manufacturing (AM) of metal components. Improving process understanding and validating predictive computational models require high-fidelity diagnostics capable of capturing data in challenging environments. Synchrotron x-ray techniques play a vital role in the validation process as they are the only in situ diagnostic capable of imaging sub-surface melt pool dynamics and microstructure evolution during LPBF-AM. In this article, a laboratory scale system designed to mimic LPBF process conditions while operating at a synchrotron facility is described. The system is implemented with process accurate atmospheric conditions, including an air knife for active vapor plume removal. Significantly, the chamber also incorporates a diagnostic sensor suite that monitors emitted optical, acoustic, and electronic signals during laser processing with coincident x-ray imaging. The addition of the sensor suite enables validation of these industrially compatible single point sensors by detecting pore formation and spatter events and directly correlating the events with changes in the detected signal. Experiments in the Ti–6Al–4V alloy performed at the Stanford Synchrotron Radiation Lightsource using the system are detailed with sufficient sampling rates to probe melt pool dynamics. X-ray imaging captures melt pool dynamics at frame rates of 20 kHz with a 2 µm pixel resolution, and the coincident diagnostic sensor data are recorded at 470 kHz. Furthermore, this work shows that the current system enables the in situ detection of defects during the LPBF process and permits direct correlation of diagnostic signatures at the exact time of defect formation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

An Alternative to the Continued Accumulation of Separated Plutonium in Japan: Dry Cask Storage of Spent Fuel

As of the end of 2017, Japan had a stockpile of 48 tons of separated plutonium. It will take more than a decade for Japan to convert most of that plutonium into “mixed-oxide” (MOX) fuel and load it into power reactors licensed to use such fuel. This is a very costly program. Including the cost of reprocessing, MOX fuel costs about ten times more than the low-enriched-uranium fuel that otherwise would be used by these reactors. Yet Japan has a policy to start separating more plutonium from spent reactor fuel as soon as the Rokkasho Reprocessing Plant can be put into operation – currently projected for 2021 after 24 years of delay due to a variety of technical problems and upgrades in safety requirements. Japan’s government remains committed to this costly and troubled program primarily because, pending the availability of additional spent-fuel storage space on or off site, reprocessing is seen as the only way to get spent fuel out of reactor pools that are getting full. Because of concerns about the safety of dense-packed spent-fuel pools, however, the prefectures and towns hosting Japan’s power reactors are beginning to accept on-site storage of spent fuel in dry casks. This is the option the United States and many other countries chose after they cancelled their reprocessing programs and their powerplant pools filled up. Its increasing availability in Japan, if backed by a determined policy to accelerate its introduction, should make it possible to cancel reprocessing in Japan as well.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Effective HTCondor-based monitoring system for CMS

The CMS experiment at the LHC relies on HTCondor and glideinWMS as its primary batch and pilot-based Grid provisioning systems, respectively. Given the scale of the global queue in CMS, the operators found it increasingly difficult to monitor the pool to find problems and fix them. The operators had to rely on several different web pages, with several different levels of information, and sift tirelessly through log files in order to monitor the pool completely. Therefore, coming up with a suitable monitoring system was one of the crucial items before the beginning of the LHC Run 2 in order to ensure early detection of issues and to give a good overview of the whole pool. Our new monitoring page utilizes the HTCondor ClassAd information to provide a complete picture of the whole submission infrastructure in CMS. The monitoring page includes useful information from HTCondor schedulers, central managers, the glideinWMS frontend, and factories. It also incorporates information about users and tasks making it easy for operators to provide support and debug issues.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗