Phase-field Modeling of Hydraulic Fracturing under Heterogeneities and/or Layering of Rock Properties and In-situ Stress
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Energy - Geothermal↗
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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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The in situ measurement of lunar thermal conductivity
Theory and model calculations for heat flow measurements at lunar site using cylindrical ring source
TEMPERATURE MEASUREMENT↗
A cool anomaly off northern California - An investigation using IR imagery and in situ data
The OPTOMA (Ocean Prediction Through Observation, Modeling and Analysis) program is developing an ocean descriptive-predictive system for four-dimensional data assimilation. It is presently concerned with the mesoscale variability in the California Current System (CCS). The present paper has the objective to assess the relationship of surface temperature structure to subsurface temperature structure and flow fields. Surface temperature anomalies are related to the mesoscale horizontal advective and subsurface mass fields. The cool anomaly off northern California in summer 1982 is discussed, taking into account the temperature structure along transects, T-S variations and inferred water masses, variation of horizontal temperature patterns with depth, and synoptic information from IR data.
Rienecker, M. M.↗
Analysis of Summer-Time Ozone and Precursor Species in the Southeast United States
Ozone (O3) is a greenhouse gas and toxic pollutant which plays a major role in air quality and atmospheric chemistry. The understanding and ability to model the horizontal and vertical structure of O3 mixing ratios is difficult due to the complex formation/destruction processes and transport pathways that cause large variability of O3. The Environmental Protection Agency has National Ambient Air Quality Standards for O3 set at 75 ppb with future standards proposed to be as low as 65 ppb. These lower values emphasize the need to better understand/simulate the transport processes, emission sources, and chemical processes controlling precursor species (e.g., NOx, VOCs, and CO) which influence O3 mixing ratios. The uncertainty of these controlling variables is particularly large in the southeast United States (US) which is a region impacted by multiple different emission sources of precursor species (anthropogenic and biogenic) and transport processes resulting in complex spatio-temporal O3 patterns. During this work we will evaluate O3 and precursor species in the southeast US applying models, ground-based and airborne in situ data, and lidar observations. In the summer of 2013, the UAH O3 Differential Absorption Lidar (DIAL) (part of the Tropospheric Ozone Lidar Network (TOLNet)) measured vertical O3 profiles from the surface up to approximately 12 km. During this period, the lidar observed numerous periods of dynamic temporal and vertical O3 structures. In order to determine the sources/processes impacting these O3 mixing ratios we will apply the CTM GEOS-Chem (v9-02) at a 0.25 deg x 0.3125 deg resolution. Using in situ ground-based (e.g., SEARCH Network, CASTNET), airborne (e.g., NOAA WP-3D - SENEX 2013, DC-8 - SEAC4RS), and TOLNet lidar data we will first evaluate the model to determine the capability of GEOS-Chem to simulate the spatio-temporal variability of O3 in the southeast US. Secondly, we will perform model sensitivity studies in order to quantify which emission sources (e.g., anthropogenic, biogenic, lighting, wildfire) and transport processes (e.g., stratospheric, long-range, local scale) are contributing to these TOLNet-observed dynamic O3 patterns. Results from the evaluation of the model and the study of sources/processes impacting observed O3 mixing ratios will be presented.
Optical Radar↗
Atomistic Origins of Reversible Noncatalytic Gas–Solid Interfacial Reactions
Noncatalytic gas-solid reactions are a large group of heterogeneous reactions that are usually assumed to occur irreversibly because of the strong driving force to favor the forward direction toward the product formation. Using the example of Ni oxidation into NiO with CO 2 , herein we demonstrate the existence of the reverse element that results in the NiO reduction from the countering effect of the gaseous product of CO. Using in-situ electron microscopy observations and atomistic modeling, we show that the oxidation process occurs via preferential CO 2 adsorption along step edges that results in step-flow growth of NiO layers, and the presence of Ni atoms on the flat NiO surface promotes the nucleation of NiO layers. Simultaneously, the NiO reduction happens via preferential step-edge adsorption of CO that leads to the receding motion of atomic steps, and the presence of Ni vacancies in the NiO surface facilitates the CO adsorption induced surface pitting. Based on the in-situ TEM observations, temperature and CO 2 pressure effect maps are constructed to illustrate the spatiotemporal dynamics of the competing NiO redox reactions. We report, these results demonstrate the rich gas-solid surface reaction dynamics induced by the co-existing forward and reverse reaction elements and have practical applicability in manipulating gas-solid reactions via controlling the gas environment or atomic structure of the solid surface to steer the reaction toward the desired direction.
25 ENERGY STORAGE↗
Engineered Barrier System Research Activities at LBNL (FY2020 Progress Report)
The design of a radioactive waste repository typically involves a multi-barrier system, including the natural barrier system (NBS), i.e., the host rock and its surrounding subsurface environment, and an engineered barrier system (EBS). The EBS is to be constructed from the man-made, engineered materials placed within a repository. The repository includes the waste form, waste canisters, buffer materials, backfill, and seals. The most common buffer material for EBS is compacted bentonite, which features low permeability and high retardation of radionuclides. Extensive studies concerning the behavior of bentonite backfill in crystalline and argillite/shale geologic environments for nuclear waste disposal have been conducted by means of laboratory experiments, numerical modeling, and large-scale in situ tests in Underground Research Laboratories (URLs) in Switzerland, France, Belgium, and Japan. This report includes the results of LBNL’s research activities conducted according to the objectives and scope of the work packages “SF-20LB01030802 Engineered Barrier System R&D - LBNL” and “SF-20LB01030806 Engineered Barrier System International Collaborations - LBNL” of the Spent Fuel and Waste Science and Technology (SFWST) (formerly called Used Fuel Disposal) Campaign of the Department of Energy’s (DOE) Office of Nuclear Energy. LBNL research studies included laboratory scale tests and modeling of the evolution of the EBS bentonite and associated coupled processes, and impacts of high temperature on parameters and processes relevant to the performance of crystalline and argillite repositories, including the evaluation of the technical basis for applying the maximum allowable temperature. The results of these studies are being addressing the technical elements necessary to evaluate the EBS design concepts. Emphasis is on the study of thermal, mechanical, and chemical processes that influence the performance of EBS, and the development of modeling capability for reliable assessment of these processes, and ultimately supporting the development of the GDSA model with detailed coupled THMC process models.
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
The New NASA Orbital Debris Engineering Model ORDEM2000
The NASA Orbital Debris Program Office at Johnson Space Center has developed a new computer-based orbital debris engineering model, ORDEM2000, which describes the orbital debris environment in the low Earth orbit region between 200 and 2000 km altitude. The model is appropriate for those engineering solutions requiring knowledge and estimates of the orbital debris environment (debris spatial density, flux, etc.). ORDEM2000 can also be used as a benchmark for ground-based debris measurements and observations. We incorporated a large set of observational data, covering the object size range from 10 mm to 10 m, into the ORDEM2000 debris database, utilizing a maximum likelihood estimator to convert observations into debris population probability distribution functions. These functions then form the basis of debris populations. We developed a finite element model to process the debris populations to form the debris environment. A more capable input and output structure and a user-friendly graphical user interface are also implemented in the model. ORDEM2000 has been subjected to a significant verification and validation effort. This document describes ORDEM2000, which supersedes the previous model, ORDEM96. The availability of new sensor and in situ data, as well as new analytical techniques, has enabled the construction of this new model. Section 1 describes the general requirements and scope of an engineering model. Data analyses and the theoretical formulation of the model are described in Sections 2 and 3. Section 4 describes the verification and validation effort and the sensitivity and uncertainty analyses. Finally, Section 5 describes the graphical user interface, software installation, and test cases for the user.
Liou, Jer-Chyi↗
Future Exploration of the South Pole as Enabled by the Lunar Reconnaissance Orbiter
The Lunar Reconnaissance Orbiter (LRO) launched in 2009 to collect the dataset required for future surface missions and to answer key questions about the lunar surface environment. In the first seven years of operations, the Lunar Reconnaissance Orbiter Camera (LROC) acquired over a million images of the lunar surface and collected key stereo observations for the production of meter-scale digital terrain models. Due to the configuration of the LRO orbit, LROC and the other onboard instruments have the opportunity to acquire observations at or near the poles every two hours. The lunar south polar region is an area of interest for future surface missions due to the benign thermal environment and areas of near-continuous illumination. These persistently illuminated regions are also adjacent to permanently shadowed areas (e.g. floors of craters and local depressions) that are of interest to both scientists and engineers prospecting for cold-trapped volatiles on or near the surface for future in situ resource utilization. Using a terramechanics model based on surface properties derived during the Apollo and Luna missions, we evaluated the accessibility of different science targets and the optimal traverse paths for a given set of waypoints. Assuming a rover that relies primarily on solar power, we identified a traverse that would keep the rover illuminated for 94.43% of the year between 1 January 2021 and 31 December 2021. Throughout this year-long period, the longest eclipse endured by the rover would last only 101 hours and the rover would move a total of 22.11 km with an average speed of 2.5 m/hr (max speed=30 m/hr). During this time the rover would be able to explore a variety of targets along the connecting ridge between Shackleton and de Gerlache craters. In addition to the southern polar regions, we are also examining traverses around other key exploration sites such as Marius Hills, Ina-D, Rima Parry, and the Mairan Domes in efforts to aid future mission planners and assess the requirements for future roving prospectors (e.g., maximum speed, maximum slope, etc.).
Speyerer, Emerson J.↗
The Q 10 of in situ microbial soil respiration varies with mean annual temperature, precipitation, pH, and plant cover: a meta-analysis and spatial prediction of Q 10
The temperature sensitivity of soil microbial respiration, commonly quantified using the Q 10 coefficient, is a key parameter in carbon cycle models. Uncovering how environmental factors affect in situ Q 10 values can therefore provide critical insight into potential shifts in global carbon stocks under climate change. We collected data from previously published field experiments that measured soil microbial respiration across a range of temperatures. We hypothesized that the Q 10 coefficient of in situ soil microbial respiration would vary based on environmental factors including mean annual temperature (MAT), mean annual precipitation (MAP), plant cover type, pH, soil C:N, and latitude. Linear regression revealed that Q 10 correlates negatively with MAT and MAP and positively with pH and absolute latitude. Additionally, average Q 10 varied significantly across different plant cover types; it was highest in mountain grasslands and lowest in tropical moist forests. Variation in microbial Q 10 across environmental factors may arise from underlying mechanisms such as enzyme kinetics, substrate availability and complexity, and microbial adaptation. To capture patterns in Q 10 more comprehensively, we developed a multiple linear regression model of Q 10 based on the most individually significant environmental drivers and applied it to public datasets to generate a global map of predicted Q 10 . Q 10 was higher in high-latitude and high-altitude regions, where large permafrost carbon stores are vulnerable to thawing and decomposition. We also compared fits between the Q 10 equation and a model produced from macromolecular rate theory (MMRT). We found that the MMRT model had the superior fit and may be better suited to model temperature sensitivity of complex biological reactions. Overall, our results emphasize that relationships between microbial Q 10 and environmental variables should be accounted for in climate models. Incorporating these variations in the Q 10 parameter, rather than using a fixed value, will help predict whether CO 2 emissions will be buffered or exacerbated by soil microbial respiration under climate change.
54 ENVIRONMENTAL SCIENCES↗
Battery state-of-health diagnostics during fast cycling using physics-informed deep-learning
Rapid, in-situ Li-ion battery state-of-health (SOH) quantification is challenging. Li-ion battery aging can vary significantly with chemistry, operating conditions, cycling demands, electrode design, and operation history. As a cell ages, optimal and safe operating conditions need to be adapted to account for battery degradation by tracking critical aging modes such as loss-of-lithium-inventory (LLI), loss-of-active-material (LAM) in either electrode, and/or impedance rise. This manuscript describes a framework for identifying battery aging modes in-operando using fast-rate voltage charge/discharge responses. The framework uses a physically based Li-ion battery model to produce synthetic high-rate responses at aged states. The aging model is calibrated against experimental data from cells with different electrode loadings and cycled under a variety of fast-charging conditions (1 h, 15 min, 10 min, and 7 min charging). The synthetically generated high-rate responses at aged states are then used to train a deep-learning model to identify real cell state-of-health from fast charge/discharge battery voltage responses. The synthetically trained deep-learning model performance is validated by comparing to standard incremental capacity analysis and half-cell measurements. Finally, the framework demonstrates the benefits of using high-rate physics-based models to generate synthetic data for training deep-learning models.
25 ENERGY STORAGE↗
Properties of Minor Ions in the Solar Wind and Implications for the Background Solar Wind Plasma
The scope of the investigation is to extract information on the properties of the bulk solar wind from the minor ion observations that are provided by instruments on board NASA space craft and theoretical model studies. Ion charge states measured in situ in interplanetary space are formed in the inner coronal regions below 5 solar radii, hence they carry information on the properties of the solar wind plasma in that region. The plasma parameters that are important in the ion forming processes are the electron density, the electron temperature and the flow speeds of the individual ion species. In addition, if the electron distribution function deviates from a Maxwellian already in the inner corona, then the enhanced tail of that distribution function, also called halo, greatly effects the ion composition. This study is carried out using solar wind models, coronal observations, and ion calculations in conjunction with the in situ observations.
Wagner, William↗
Soil Respiration Response to Rainfall Modulated by Plant Phenology in a Montane Meadow, East River, Colorado, USA
Soil respiration is a primary component of the terrestrial carbon cycle. However, predicting the response of soil respiration to climate change remains a challenge due to the complex interactions between environmental drivers, especially plant phenology, temperature, and soil moisture. In this study, we use a 1-D diffusion-reaction model to calculate depth-resolved CO 2 production rates from soil CO 2 concentrations and surface efflux observations in a subalpine meadow in the East River watershed, CO. Modeled rates are compared to in situ soil temperature and moisture conditions and MODIS satellite enhanced vegetation index (EVI) representing plant phenology across three hydrologically distinct growing seasons from 2016-2018. While soil respiration correlated with temperature on diel timescales (p<0.05), seasonal variability was dominated by soil moisture and plant phenology (p<0.05). We observed significant respiration increases in response to precipitation events; however, magnitude and duration were significantly higher in 2017 than 2016 despite similar wetting characteristics. Based on MODIS EVI, we suggest the respiration response to rainfall is controlled by plant phenology, which in turn reflects the capacity of plants to respond to precipitation via increased photosynthesis and autotrophic respiration, behavior that is not captured in typical soil respiration pulse models. Projected changes in montane climate such as earlier snowmelt and prolonged fore-summer drought may decrease soil respiration fluxes by decreasing the overlap between peak productivity and the summer monsoon. Lastly, we observed significant late-season CO 2 fluxes from the deep sub-soil (>165 cm) that support growing evidence for the importance of sub-soil processes in driving integrated respiration fluxes.
54 ENVIRONMENTAL SCIENCES↗
The BLISS measurements of NO2 - Some new insights
The present study compares the diurnal variation of NO2 measured near 30 km by the BLISS in situ laser spectrometer with calculations from a photochemical model that includes a detailed description of multiple scattering. Even better agreement is found between the data and the model, both at sunset and during the day. The conclusions of an earlier study that the high-resolution in situ measurements of NO2 facilitated validation of the understanding of the diurnal chemistry of NO2 are confirmed.
Pyle, J. A.↗
Biophysical and spectral modeling
Activities and results of a project to develop strategies for modeling vegetative canopy reflectance are reported. Specific tasks included the inversion of canopy reflectance models to estimate agronomic variables (particularly leaf area index) from in-situ reflectance measurements, and a study of possible uses of ecological models in analyzing temporal profiles of greenness.
Goel, N. S.↗
Extensions to the CIRA reference models for middle atmosphere ozone
The recent ozone reference models generated for the new COSPAR CIRA include ozone vertical structure from 25 to 90 km as a function of month and latitude based on five satellite experiments. The new model provided here extends the ozone vertical structure climatology from 20 mb (about 25 km) to 70 mb (about 18 km) based on three years of recently reprocessed AEM-2 SAGE I (sunset) data. In addition, model refinements are made at altitudes above 25 km based on the reprocessed data. Comparisons are made between the ozone reference models and nonsatellite data sets. The model extensions to lower altitudes are in excellent agreement with in situ measurements both at mid latitudes and in the tropics. Annual mean models of ozone are also provided as a function of latitude from 100 mb (about 16 km) to 0.003 mb (about 90 km).
Keating, G. M.↗
Multifractal characterizations of nonstationarity and intermittency in geophysical fields: Observed, retrieved, or simulated
Geophysical data rarely show any smoothness at any scale, and this often makes comparison with theoretical model output difficult. However, highly fluctuating signals and fractal structures are typical of open dissipative systems with nonlinear dynamics, the focus of most geophysical research. High levels of variability are excited over a large range of scales by the combined actions of external forcing and internal instability. At very small scales we expect geophysical fields to be smooth, but these are rarely resolved with available instrumentation or simulation tools; nondifferentiable and even discontinuous models are therefore in order. We need methods of statistically analyzing geophysical data, whether measured in situ, remotely sensed or even generated by a computer model, that are adapted to these characteristics. An important preliminary task is to define statistically stationary features in generally nonstationary signals. We first discuss a simple criterion for stationarity in finite data streams that exhibit power law energy spectra and then, guided by developments in turbulence studies, we advocate the use of two ways of analyzing the scale dependence of statistical information: singular measures and qth order structure functions. In nonstationary situations, the approach based on singular measures seeks power law behavior in integrals over all possible scales of a nonnegative stationary field derived from the data, leading to a characterization of the intermittency in this (gradient-related) field. In contrast, the approach based on structure functions uses the signal itself, seeking power laws for the statistical moments of absolute increments over arbitrarily large scales, leading to a characterization of the prevailing nonstationarity in both quantitative and qualitative terms. We explain graphically, step by step, both multifractal statistics which are largely complementary to each other. The geometrical manifestations of nonstationarity and intermittency, 'roughness' and 'sparseness', respectively, are illustrated and the associated analytical (differentiability and continuity) properties are discussed. As an example, the two techniques are applied to a series of recent measurements of liquid water distributions inside marine stratocumulus decks; these are found to be multifractal over scales ranging from approximately 60 m to approximately 60 km. Finally, we define the 'mean multifractal plane' and show it to be a simple yet comprehensive tool with many applications including data intercomparison, (dynamical or stochastic) model and retrieval validations.
Davis, Anthony↗
WORKSHOP ON URBAN SCALE PROCESSES AND THEIR REPRESENTATION IN HIGH SPATIAL RESOLUTION EARTH SYSTEM MODELS
It is essential that numerical models used to study physics, chemistry, and biology affecting the Earth system at regional and global scales represent the effects of urban areas on climate and the effects of changing the climate on urban areas. At the same time, it is essential to develop state of the art, simple and accurate urban models to better understand the relevant processes and also toaddress issues related to urban security against the spectra of chemical, biological and radiological (CBR) hazards. Towards bringing these communities together, a 2.5-day international workshop was held at Argonne National Laboratory (ANL) in the Chicago area on May 22-24, 2019. This workshop brought together national and international experts to develop a roadmap for a better understanding of the issues associated with urban areas and at enhancing the capabilities of regional and global Earth System models (ESMs) in representing the atmospheric dynamics and chemistry, unique aspects of the biosphere and land use, and human dimensions of the urban environment. This workshop was especially important to those developing very high-resolution versions of regional and global models. The workshop also discussed existing datasets, including in situ and satellite observations, and the emerging smart city sensing technologies and their possible use in model development (e.g., the NSF-funded Array of Things network currently operating in Chicago and expanding to other cities).
54 ENVIRONMENTAL SCIENCES↗
Confocal Raman Microscopy for Measuring In Situ Temperature-Dependent Structural Changes in Poly(Ethylene Oxide) Thin Films
Crystallization from the melt is a critical process governing the properties of semi-crystalline polymeric materials. While structural analyses of melting and crystallization transitions in bulk polymers have been widely reported, in contrast, those in thin polymer films on solid supports have been underexplored. Herein, in situ Raman microscopy and self-modeling curve resolution (SMCR) analysis are applied to investigate the temperature-dependent structural changes in poly(ethylene oxide) (PEO) films during melting and crystallization phase transitions. By resolving complex overlapping sets of spectra, SMCR analysis reveals that the thermal transitions of 50 µm thick PEO films comprise two structural phases: an ordered crystalline phase and a disordered amorphous phase. The ordered structure of the crystalline PEO film entirely disappears as the polymer is heated; conversely, the disordered structure of the amorphous PEO film reverts to the ordered structure as the polymer is cooled. Broadening of the Raman bands was observed in PEO films above the melting temperature (67 °C), while sharpening of bands was observed below the crystallization temperature (45 °C). The temperatures at which these spectral changes occurred were in good agreement with differential scanning calorimetry (DSC) measurements, especially during the melting transition. The results illustrate that in situ Raman microscopy coupled with SMCR analysis is a powerful approach for unraveling complex structural changes in thin polymer films during melting and crystallization processes. Furthermore, we show that confocal Raman microscopy opens opportunities to apply the methodology to interrogate the structural features of PEO or other surface-supported polymer films as thin as 2 µm, a thickness regime beyond the reach of conventional thermal analysis techniques.
Koh, Miharu [Department of Chemistry, University o↗