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All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Diagnosis of the Marine Low Cloud Simulation in the NCAR Community Earth System Model (CESM) and the NCEP Global Forecast System (GFS)-Modular Ocean Model v4 (MOM4) coupled model

We present a diagnostic analysis of the marine low cloud climatology simulated by two state-of-the-art coupled atmosphere-ocean models: the NCAR Community Earth System Model (CESM) and the NCEP Global Forecasting System (GFS). In both models, the shallow convection and boundary layer turbulence parameterizations have been recently updated: both models now use a mass-flux scheme for the parameterization of shallow convection, and a turbulence parameterization capable of handling Stratocumulus (Sc)-topped Planetary Boundary Layers (PBLs). For shallow convection, both models employ a convective trigger function based on the concept of convective inhibition and both include explicit convective overshooting/penetrative entrainment formulation. For Sc-topped PBL, both models treat explicitly turbulence mixing and cloud-top entrainment driven by cloud-top radiative cooling. Our focus is on the climatological transition from Sc to shallow Cumulus (Cu)-topped PBL in the subtropical eastern oceans. We show that in the CESM the coastal Sc-topped PBLs in the subtropical Eastern Pacific are well-simulated but the climatological transition from Sc to shallow Cu is too abrupt and happens too close to the coast. By contrast, in the GFS coupled simulation the coastal Sc amount and PBL depth are severely underestimated while the transition from Sc to shallow Cu is ³delayed² and offshore Sc cover is too extensive in the subtropical Eastern Pacific. We discuss the possible connections between such differences in the simulations and differences in the parameterizations of shallow convection and boundary layer turbulence in the two models.

Xiao, Heng↗
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 OSTI2023

Atmosphere–Ocean Coupled Energy Budgets of Tropical Convective Discharge–Recharge Cycles

An energy budget combining atmospheric moist static energy (MSE) and upper ocean heat content (OHC) is used to examine the processes impacting day-to-day convective variability in the tropical Indian and western Pacific Oceans. Feedbacks arising from atmospheric and oceanic transport processes, surface fluxes, and radiation drive the cyclical amplification and decay of convection around suppressed and enhanced convective equilibrium states, referred to as shallow and deep convective discharge–recharge (D–R) cycles, respectively. The shallow convective D–R cycle is characterized by alternating enhancements of shallow cumulus and stratocumulus, often in the presence of extensive cirrus clouds. The deep convective D–R cycle is characterized by sequential increases in shallow cumulus, congestus, narrow deep precipitation, wide deep precipitation, a mix of detached anvil and altostratus and altocumulus, and once again shallow cumulus cloud types. Transitions from the shallow to deep D–R cycle are favored by a positive “column process” feedback, while discharge of convective instability and OHC by mesoscale convective systems (MCSs) contributes to transitions from the deep to shallow D–R cycle. Variability in the processes impacting MSE is comparable in magnitude to, but considerably more balanced than, variability in the processes impacting OHC. Variations in the quantity of atmosphere–ocean coupled static energy (MSE + OHC) result primarily from atmospheric and oceanic transport processes, but are mainly realized as changes in OHC. MCSs are unique in their ability to rapidly discharge both lower-tropospheric convective instability and OHC.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2013

CGILS: Results from the First Phase of an International Project to Understand the Physical Mechanisms of Low Cloud Feedbacks in Single Column Models

1] CGILS-the CFMIP-GASS Intercomparison of Large Eddy Models (LESs) and single column models (SCMs)-investigates the mechanisms of cloud feedback in SCMs and LESs under idealized climate change perturbation. This paper describes the CGILS results from 15 SCMs and 8 LES models. Three cloud regimes over the subtropical oceans are studied: shallow cumulus, cumulus under stratocumulus, and well-mixed coastal stratus/stratocumulus. In the stratocumulus and coastal stratus regimes, SCMs without activated shallow convection generally simulated negative cloud feedbacks, while models with active shallow convection generally simulated positive cloud feedbacks. In the shallow cumulus alone regime, this relationship is less clear, likely due to the changes in cloud depth, lateral mixing, and precipitation or a combination of them. The majority of LES models simulated negative cloud feedback in the well-mixed coastal stratus/stratocumulus regime, and positive feedback in the shallow cumulus and stratocumulus regime. A general framework is provided to interpret SCM results: in a warmer climate, the moistening rate of the cloudy layer associated with the surface-based turbulence parameterization is enhanced; together with weaker large-scale subsidence, it causes negative cloud feedback. In contrast, in the warmer climate, the drying rate associated with the shallow convection scheme is enhanced. This causes positive cloud feedback. These mechanisms are summarized as the "NESTS" negative cloud feedback and the "SCOPE" positive cloud feedback (Negative feedback from Surface Turbulence under weaker Subsidence-Shallow Convection PositivE feedback) with the net cloud feedback depending on how the two opposing effects counteract each other. The LES results are consistent with these interpretations

Single Column Models↗
NASA NTRS2020

A Composite Analysis of Snowfall Modes from Four Winter Seasons in Marquette, Michigan

Presented are four winter seasons of data from an enhanced precipitation instrument suite based at the National Weather Service (NWS) Office in Marquette (MQT), Michigan (250–500 cm of annual snow accumulation). In 2014 the site was augmented with a Micro Rain Radar (MRR) and a Precipitation Imaging Package (PIP). MRR observations are utilized to partition large-scale synoptically driven (deep)and surface-forced (shallow) snow events. Coincident PIP and NWS MQT meteorological surface observations illustrate different characteristics with respect to snow event category. Shallow snow events are often extremely shallow, with MRR-indicated precipitation heights of less than 1500 m above ground level. Large vertical reflectivity gradients indicate efficient particle growth, and increased boundary layer turbulence inferred from observations of spectral width implies increased aggregation in shallow snow events. Shallow snow events occur 2 times as often as deep events; however, both categories contribute approximately equally to estimated annual accumulation. PIP measurements reveal distinct regime-dependent snow microphysical differences, with shallow snow events having broader particle size distributions and comparatively fewer small particles and deep snow events having narrower particle size distributions and comparatively more small particles. In addition, coincident surface meteorological measurements indicate that most shallow snow events are associated with surface winds originating from the northwest (over Lake Superior), cold temperatures, and relatively high surface pressures, which are characteristics that are consistent with cold-air outbreaks. Deep snow events have meteorologically distinct conditions that are accordant with midlatitude cyclones and frontal structures, with mostly southwest surface winds, warmer temperatures approaching freezing, and lower surface pressures.

Claire Pettersen↗
DOE OSTI2016

Using ARM Measurements to Understand and Reduce the Double ITCZ Biases in the Community Atmospheric Model

1. Understanding of the observed variability of ITCZ in the equatorial eastern Pacific. The annual mean precipitation in the eastern Pacific has a maximum zonal band north of the equator in the ITCZ where the maximum SST is located. During the boreal spring (referring to February, March, and April throughout the present paper), because of the accumulated solar radiation heating and oceanic heat transport, a secondary maximum of SST exists in the southeastern equatorial Pacific. Associated with this warm SST is also a seasonal transitional maximum of precipitation in the same region in boreal spring, exhibited as a weak double ITCZ pattern in the equatorial eastern Pacific. This climatological seasonal variation, however, varies greatly from year to year: double ITCZ in the boreal spring occurs in some years but not in other years; when there a single ITCZ, it can appear either north, south or at the equator. Understanding this observed variability is critical to find the ultimate cause of the double ITCZ in climate models. Seasonal variation of ITCZ south of the eastern equatorial Pacific: By analyzing data from satellites, field measurements and atmospheric reanalysis, we have found that in the region where spurious ITCZ in models occurs, there is a “seasonal cloud transition” — from stratocumulus to shallow cumulus and eventually to deep convection —in the South Equatorial Pacific (SEP) from September to April that is similar to the spatial cloud transition from the California coast to the equator. This seasonal transition is associated with increasing sea surface temperature (SST), decreasing lower tropospheric stability and large-scale subsidence. This finding of seasonal cloud transition points to the same source of model errors in the ITCZ simulations as in simulation of stratocumulus-cumulus-deep convection transition. It provides a test for climate models to simulate the relationships between clouds and large-scale atmospheric fields in a region that features a spurious double Inter-tropical Convergence Zone (ITCZ) in most models. This work is recently published in Yu et al. (2016). Interannual variation of ITCZ south of the eastern equatorial Pacific: By analyzing data from satellites, field measurements and atmospheric reanalysis, we have characterized the interannual variation of boreal spring precipitation in the eastern tropical Pacific and found the cause of the observed interannual variability. We have shown that ITCZ in this region can occur as a single ITCZ along the Equator, single ITCZ north of the Equator, single ITCZ south of the Equator, and double ITCZ on both sides of the Equator. We have found that convective instability only plays a secondary role in the ITCZ interannual variability. Instead, the remote impact of the Pacific basin-wide SST on the horizontal gradient of surface pressure and wind convergence is the primary driver of this interannual variability. Results point to the need to include moisture convergence in convection schemes to improve the simulation of precipitation in the eastern tropical Pacific. This result has been recently submitted for publication (Yu and Zhang 2016). 2. Improvement of model parameterizations to reduce the double ITCZ bias We analyzed the current status of climate model performance in simulating precipitation in the equatorial Pacific. We have found that the double ITCZ bias has not been reduced in CMIP5 models relative to CMIP4 models. We have characterized the dynamic structure of the common bias by using precipitation, sea surface temperature, surface winds and sea-level. Results are published in Zhang et al. (2015): Since cumulus convection plays a significant role in the double ITCZ behavior in models, we have used measurements from ARM and other sources to carry out a systematic analysis of the roles of shallow and deep convection in the CAM. We found that in both CAM4 and CAM5, when the intensity of deep convection decreases as a result of parameterization change, the intensity of shallow convection increases, leading to very different changes in precipitation partitions but little change in the total precipitation. The different precipitation partition however can manifest themselves in other measures of model performances including temperature and humidity. This study points to the need to treat model physical parameterizations as integrated system rather than individual components. Results from this study are published in Wang and Zhang (2013). Since shallow convection interacts with the deep convection scheme and surface turbulence to trigger the double ITCZ, we studied methods to improve the shallow convection scheme in climate models. We investigated the bulk budgets of the vertical velocity and its parameterization in convective cores, convective updrafts, and clouds by using large-eddy simulation (LES) of four shallow convection cases including one from ARM. We proposed optimal forms of the Simpson and Wiggert equation to calculate the vertical velocity in bulk mass flux convection schemes for convective cores, convective updrafts, and convective clouds as parameterization schemes. The new scheme is published in Wang and Zhang (2014). By using long-term radar-based ground measurements from ARM, we derived a scale-aware inhomogeneity parameterization of cloud liquid water in climate models. We found a relationship between the inhomogeneity parameter and the model grid size as well as atmospheric stability. This relationship is implemented in the CESM to describe the subgrid-scale cloud inhomogeneity. Relative to the default CESM with the finite-volume dynamic core at 2-degree resolution, the new parameterization leads to smaller cloud inhomogeneity and larger cloud liquid-water path in high latitudes, and the opposite effect in low latitudes, with the regional impact on shortwave cloud radiation effect of up to 10 W/m 2 . This is due to both the smaller (larger) grid size in high (low) latitudes in the longitude-latitude grid setting of CESM and the more stable (unstable) atmosphere. This parameterization is expected lead to more realistic simulation of tropical precipitation in high-resolution models. Results from this study are reported in Xie and Zhang (2015).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Coupling Mechanistically the Convective Motions and Cloud Macrophysics in a Climate Model (Final Technical Report for CM4 Project)

Global climate models fail to adequately represent shallow cumulus conditions. The activities at the University of Texas at Austin focus on deploying advanced statistical approaches to identify linkages between numerical models and observations using the E3SM-Single Column Model (SCM) and different ARM campaigns focused on shallow cumulus conditions at SGP. The current version of the SCM uses CLUBB to represent shallow cumulus. The parameterization represents a significant evolution from older generation parameterizations insofar as it contains a number of prognostic equations that keep track of the turbulent nature of the environment that are carried forward in time. The parameters associated with this scheme address the rate at which different prognostic quantities that determine vertical turbulent fluxes of heat and moisture decay with time. The large number of parameters gives the CLUBB scheme a lot of flexibility. The expectation of its developers is that it should represent any shallowly convective environment. The concern among developers and other theorists was not whether it could represent any one environment, but whether a single judicious choice of parameters would allow it to predict the turbulent characteristics of a range of environments. Through several exhaustive studies that made use of Bayesian statistical calibration, tens of thousands of SCM experiments, and ensembles of observations of shallow cumulus at SGP that were also modeled using Large Eddy Simulations (LES), we have only achieved partial success in using CLUBB within SCM to capture important aspects of what has been observed and modeled with LES at SGP. Even as we worked to improve observational tests and make a more scientifically focused attempt at modifying subsets of CLUBB parameters, model performance continues to be lacking in some important respects. In one calibration, we were able to achieve a near perfect match to observed properties of liquid water path, cloud radiative effects, and cloud fraction but with clouds that were trapped within a shallow layer and without the highly turbulent fluxes and vertical extent observed with ARM data and modeled with LES (Figure 1). The conclusion we are reaching is that shallow cumulus conditions are much more challenging to represent than was previously thought. This result is also prompting us to consider some aspects of the experiment design that may be limiting the performance of SCM in this case. The work has garnered the attention of Vincent Larson (CLUBB developer at Univ. Wisconsin – Milwaukee) and model developers Steven Klein and Yunyan Zhang (LLNL) with whom this work and will continue.

58 GEOSCIENCES↗
DOE OSTI2016

CGILS Phase 2 LES intercomparison of response of subtropical marine low cloud regimes to CO 2 quadrupling and a CMIP3 composite forcing change: Large eddy simulation of cloud feedbacks

We extended Phase 1 of the CGILS large-eddy simulation (LES) intercomparison in order to understand if subtropical marine boundary-layer clouds respond to idealized climate perturbations consistently in six LES models. Here the responses to quadrupled carbon dioxide (“fast adjustment”) and to a composite climate perturbation representative of CMIP3 multimodel mean 2×CO 2 near-equilibrium conditions are analyzed. As in Phase 1, the LES is run to equilibrium using specified steady summertime forcings representative of three locations in the Northeast Pacific Ocean in shallow well-mixed stratocumulus, decoupled stratocumulus, and shallow cumulus cloud regimes. Our results are generally consistent with a single-LES study of Bretherton et al. (2013) on which this intercomparison was based. Both quadrupled CO 2 and the composite climate perturbation result in less cloud and a shallower boundary layer for all models in well-mixed stratocumulus and for all but a single LES in decoupled stratocumulus and shallow cumulus, corroborating similar findings from global climate models (GCMs). For both perturbations, the amount of cloud reduction varies across the models, but there is less intermodel scatter than in GCMs. Furthermore, the cloud radiative effect changes are much larger in the stratocumulus-capped regimes than in the shallow cumulus regime, for which precipitation buffering may damp the cloud response. In the decoupled stratocumulus and cumulus regimes, both the CO 2 increase and CMIP3 perturbations reduce boundary-layer decoupling, due to the shallowing of inversion height.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Effective detection of CO 2 leakage: a comparison of groundwater sampling and pressure monitoring

Shallow aquifer monitoring is likely to be a required aspect to any geologic CO 2 sequestration operation. Collecting groundwater samples and analyzing for geochemical parameters such as pH, alkalinity, total dissolved carbon, and trace metals has been suggested by a number of authors as a possible strategy to detect CO 2 leakage. The effectiveness of this approach, however, will depend on the hydrodynamics of the leak-induced CO 2 plume and the spatial distribution of the monitoring wells relative to the origin of the leak. To our knowledge, the expected effectiveness of groundwater sampling to detect CO 2 leakage has not yet been quantitatively assessed. In this study we query hundreds of simulations developed for the National Risk Assessment Project (US DOE) to estimate risks to drinking water resources associated with CO 2 leaks. The ensemble of simulations represent transient, 3-D multi-phase reactive transport of CO 2 and brine leaked from a sequestration reservoir, via a leaky wellbore, into an unconfined aquifer. Key characteristics of the aquifer, including thickness, mean permeability, background hydraulic gradient, and geostatistical measures of aquifer heterogeneity, were all considered uncertain parameters. Complex temporally-varying CO 2 and brine leak rate scenarios were simulated using a heuristic scheme with ten uncertain parameters. The simulations collectively predict the spatial and temporal evolution of CO 2 and brine plumes over 200 years in a shallow aquifer under a wide range of leakage scenarios and aquifer characteristics. Using spatial data from an existing network of shallow drinking water wells in the Edwards Aquifer, TX, as one illustrative example, we calculated the likelihood of leakage detection by groundwater sampling. In this monitoring example, there are 128 wells available for sampling, with a density of about 2.6 wells per square kilometer. If the location of the leak is unknown a priori, a reasonable assumption in many cases, we found that the leak would be detected in at least one of the monitoring wells in less than 10% of the scenarios considered. This is because plume sizes are relatively small, and so the probability of detection decreases rapidly with distance from the leakage point. For example, 400m away from the leakage point there is less than 20% chance of detection. We then compared the effectiveness of groundwater quality sampling to shallow aquifer and/or reservoir pressure monitoring. For the Edwards Aquifer example, pressure monitoring in the same monitoring well network was found to be even less effective that groundwater quality monitoring. This is presumably due to the unconfined conditions and relatively high permeability, so pressure perturbations quickly dissipate. Although specific results may differ from site to site, this type of analysis should be useful to site operators and regulators when selecting leak detection strategies. Given the spatial characteristics of a proposed monitoring well network, probabilities of leakage detection can be rapidly calculated using this methodology. Although conditions such as these may not be favorable for leakage detection in shallow aquifers, leakage detection could be much more successful in the injection reservoir. We demonstrate proof-of-concept for this hypothesis, presenting a simulation where there is measurable pressure change at the injection well due to overpressurization, fault rupture, and consequent leakage up the fault into intermediate and shallow aquifers. The size of the detectible pressure change footprint is much larger in the reservoir than in either of the overlying aquifers. Further exploration of the range of conditions for which this technique would be successful is the topic of current study.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Charge and energy transfer in double asymmetric quantum wells with quantum dots

The luminescence and luminescence excitation spectra of CdSe/ZnSe quantum dots are studied in a set of double quantum wells with the ZnSe barrier of width 14 nm, the same amount of a deposited CdSe layer forming a deep well and shallow wells with different depths. It is found that for a certain relation between the depths of shallow and deep wells in this set, conditions are realized under which the exciton channel in the luminescence excitation spectrum of a shallow well dominates in the region of kinetic exciton energies exceeding 10 longitudinal optical phonons above the bottom of the exciton band of the ZnSe barrier. A model is developed for the transfer of electrons, holes, and excitons between the electronic states of shallow and deep quantum wells separated by wide enough barriers. It is shown that the most probable process of electronic energy transfer between the states of shallow and deep quantum wells is indirect tunneling with the simultaneous excitation of a longitudinal optical phonon in the lattice. Because the probability of this process for single charge carriers considerably exceeds the exciton tunneling probability, a system of double quantum wells can be prepared in which, in the case of weak enough excitation, the states of quantum dots in shallow quantum wells will be mainly populated by excitons, which explains experimental results obtained.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Final Scientific/Technical Report of Gas Hydrate Dynamics on the Alaskan Beaufort Continental Slope: Modeling and Field Characterization

Methane Hydrates, a solid form of methane and water, exist at high pressures and low temperatures, occurs on every continental margin on Earth, represents one of the largest reservoirs of carbon on the planet, and, if destabilized, may play an important role in both slope stability and climate change. For decades, researchers have studied methane hydrates with the hope of determining if methane hydrates are destabilizing, and if so, how this destabilization might impact slope stability and ocean/atmosphere carbon budgets. In the past ~5 years, it has become well established that the upper “feather-edge” of methane hydrate stability (intermediate water depths of ~200-500 meters below sea level) represents an important frontier for methane hydrates stability research, as this zone is most susceptible to destabilization due to minor fluctuations in ocean temperature in space and time. The Arctic Ocean—one of the fastest warming regions on Earth—is perhaps the best place to study possible changes to methane hydrate stability due to ocean warming. To address the stability of methane hydrates at intermediate ocean depths, Southern Methodist University in partnership with Oregon State University and The United State Geological Survey at Woods Hole began investigating methane hydrate stability in intermediate water depths below both the US Beaufort Sea and the Atlantic Margin, from 2012-2017. The work was funded by the Department of Energy’s (DOE) National Energy Technology Laboratory (NETL). The key goal of the SMU component of this study was to collect the first ever heat flow data in the Beaufort Sea and compare measured shallow (probe-based1) heat flow values with deeper (BSR-derived2) heat flow values, and from this, determine whether hydrates were in thermal equilibrium. In September 2016, SMU/OSU collected the first ever heat flow measurements in the US Beaufort Sea. Despite poor weather and rough seas, the cruise was a success, with 116 heat flow measurements acquired across the margin, spanning 4 transects separated by more than 400 km. Useable heat flow data exists for 97% (113) of probe heat flow measurements, revealing a clear picture of regional heat flow across the basin. During the past 8 months since the cruise, SMU researchers have processed the heat flow and thermal conductivity measurements and compared results to deeper heat flow estimates obtained from seismic data. The analysis reveals clear, consistent trends: All probe heat flow measurements in depths greater than 800 mbsl are consistent with BSR-derived values; heat flow measurements obtained in water depths between ~250-750 mbsl are systematically lower than those estimated from BSRs; and heat flow estimates in water depths shallower than ~250 mbsl are systematically warmer than deeper estimates. The consistency between shallow (probe) and deep (BSR) heat flow measurements at depths greater than ~750 m where ocean temperature changes are minimal supports the premise that the hydrates consist primarily of methane and represent a valuable tool for estimating heat flow. The anomalous cooling trend observed in the upper 250 m is consistent with expected seasonal effects observed in shallow ocean buoy measurements in the arctic, when cold, less dense melting sea ice cools the upper 200 m of the ocean during the summer as ice melting occurs. The discrepancy in heat flow at intermediate water depths is best explained via recent intermediate ocean temperature warming, where long-term (annual or longer) warming intermediate ocean bottom waters result in an anomalously low heat flow in shallow heat flow measurements. Using the characteristic 1D time-length scale for diffusion, we estimate that ocean temperature warming began no later than ~1200 years ago but arguably much more recently as results are limited by seismic resolution. More importantly, our analysis indicates methane hydrate is destabilizing not only in the upper feather edge (200-500 mbsl) but at depths as great as 750 mbsl. The intermediate ocean warming rate supports previous studies suggesting geologically rapid warming (>0.1 deg C/decade) at intermediate ocean depths in the Beaufort Sea. Assuming no further changes or additional warming, our analysis indicates methane hydrates will destabilize at seafloor depths shallower than 750 mbsl in the Beaufort Sea within the next ~3000 years. 1 Probe outfitted with sensors inserted into the seafloor sediment 2 Bottom-simulating reflector (BSR) seismic data indicates presence of hydrate deposits

58 GEOSCIENCES↗
DOE OSTI2022

Characterization of Contaminants and Mobility in WMA A-AX Boreholes D0006 and D0008

This study was initiated to determine if subsurface contaminants in the A-AX vadose zone at the Hanford site (boreholes D0006 and D0008) caused corrosion of nearby stainless steel well casings (299-E-24-19, 299-E25-46, and 299-E25-236) and, based on the type and distribution of contaminants, determine if contaminants are from one or more sources including a) the A-104 and/or A-105 tanks, b) the 242A evaporator, and c) the 200-E-286 ditch. A tiered approach was used for characterizing contaminants in vadose zone sediments starting with mobile and total contaminant concentrations (Tier 1), characterizing contaminant speciation (Tier 2), and measuring contaminant leaching (Tier 3). Total and mobile contaminant measurements at seven depths showed elevated sulfate and nitrate in all samples (130 to 280 ft depth), elevated chloride in five depths, and no elevated radionuclides except I-129 in D0006 at 206 to 208 ft depth. If these contaminants were initially acidic, stainless-steel corrosion would occur. However, because sediments likely have a high acid neutralization capacity, an acidic spill would have been neutralized within tens of feet, so casing corrosion would likely occur in shallow sediments. GEL labs data also shows low (but above natural) chromate from shallow to 170 ft depth, then higher chromate to 280 ft, suggesting a surface Cr spill or casing corrosion. GEL labs data also showed evidence of more than one plume, with deep nitrate, sulfate, and chloride migration, but only shallow tritium migration. Tritium should migrate nearly unretarded in the subsurface like nitrate and chloride. Elevated aqueous cations and anions in the D0006 206 to 208' depth pore water (SO 4 2- , NO 3 - , Na + , K + , Ca 2+ , Mg 2+ , Si) could be the result of acid disposal and calcite dissolution at shallow depth, with deeper migration of SO 4 2- , NO 3 - from acids and Ca 2+ and Mg 2+ from calcite. Elevated Si (160 mg/L) indicates dissolution of clays or other silicates, which can also occur in acids. Acid extractable metals did show elevated Cr (but not Fe, Ni, Mo, and Mn) above natural levels, which may indicate stainless-steel well corrosion or transport of metals from a shallow spill. The elevated I-129 in D0006 at 206 to 208' depth was low with 0.34 μg/g in pore water and 1.5 μg/g total extractable I-129 in the sediment, which indicates significant fraction of I-129 was bound in one or more precipitates. Although total I-129 was below detection limits in most extractions due to high molybdate interference, I-127 analysis provided some insight into potential precipitate phases. Total I-127 was mainly extracted by acetate or acetic acid (67%), which may be iodine in calcite. Inorganic carbon measurement identified 1.65% calcite, and total organic carbon (TOC) was below detection limits, so iodine was not associated with organic matter. Nearly all the I-127 was present as iodide. In 1-D leach experiments, I-127 as iodide leached from the sediment within 2 pore volumes. Due to high and dynamic molybdate leaching from the sediment and interference with I-129 analysis, there were few quantifiable I-129 measurements. The calculated molybdate release rates from the sediment suggested Mo was being released from the same precipitate phase, such as molybdate incorporated into calcite. Overall, because there was little radioactive contamination measured in D0006 and D0008 boreholes, potential releases from A-104 and A-105 did not reach this location south of the A tank farm. Elevated cations and anions found in D0006 and D0008 at depth as the result of acidic disposal could cause shallow stainless steel casing corrosion. The nearby 242A evaporator generally contained alkaline waste and tritium, but the nearby 200-E-286 ditch generally contained high Cl - liquid effluent, so these are unlikely to be acidic sources.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

CCUS 2024, Interpreting the strain tensor Larry Murdoch Interpreting strain tensor data to characterize and monitor reservoirs for CO2 storage and other applications

Recent advances in instrumentation have made it feasible to measure the transient strain tensor caused by small changes in fluid volume or pressure in the subsurface and this has opened the door to new opportunities for characterization and monitoring during CCUS. We have demonstrated this method by deploying strainmeters at shallow depths (30 to 40m) and then conducting injection well tests in an underlying reservoir at 530m depth. The resulting data indicated that the horizontal strain at shallow strainmeters was tensile and the vertical strain was compressive. The radial strain was less than the horizontal strain, and the strain rates decreased from 100 nanostrain/day to roughly 10 ne/d over a few days (1 nanostrain = 1 part per billion strain). We then used the strain data to estimate reservoir properties, geometry and pressure through inversion of poroelastic forward models using both numerical and novel analytical methods. The average horizontal strain in the caprock resembles the transient pressure in the underlying reservoir and classic type-curve methods from transient well testing can be used for preliminary interpretations of strain data. We have developed fast, closed-form analytical solutions to a pressurized poroelastic inclusion and inhomogeneity in a half-space. Numerical models developed using finite element methods allow more details of the subsurface to be included in the inversion, but they require much longer run times and this makes inversion cumbersome using standard methods. We have developed an inversion approach that uses a proxy model created using machine learning to do most of the forward calculations. This approach markedly reduces the computational requirements and makes it feasible to use Bayesian inversion with large numerical models. Bayesian inversion is important because it provides predictions with uncertainties, which makes the results useful for decision making. We have shown with field tests and simulations that the strain tensor in the caprock is sensitive to pressure in the reservoir, reservoir properties and boundaries, and pressure in the caprock caused by leaks. These results indicate that measuring and interpreting the shallow strain tensor could be a valuable tool for both initial reservoir characterization efforts and long-term monitoring during CCUS. Recent advances in instrumentation have made it feasible to measure the transient strain tensor caused by small changes in fluid volume or pressure in the subsurface and our objective was to evaluate opportunities for strain monitoring during characterization and monitoring for CCUS. Our approach was to deploy strainmeters at shallow depths (30 to 40m) and then conduct injection well tests in an underlying reservoir at 530m depth. The results indicate that the horizontal strain at shallow strainmeters was tensile and the vertical strain was compressive. The radial strain was less than the horizontal strain, and the strain rates decreased from 100 nanostrain/day to roughly 10 ne/d over a few days (1 nanostrain = 1 part per billion strain). We then used the strain data to estimate reservoir properties, geometry and pressure through inversion of poroelastic forward models using both numerical and novel analytical methods. The average horizontal strain in the caprock resembles the transient pressure in the underlying reservoir and classic type-curve methods from transient well testing can be used for preliminary interpretations of strain data. We have developed fast, closed-form analytical solutions to a pressurized poroelastic inclusion and inhomogeneity in a half-space. Numerical models developed using finite element methods allow more details of the subsurface to be included in the inversion, but they require much longer run times and this makes inversion cumbersome using standard methods. We have developed an inversion approach that uses a proxy model created using machine learning to do most of the forward calculations. This approach markedly reduces the computational requirements and makes it feasible to use Bayesian inversion with large numerical models. Bayesian inversion is important because it provides predictions with uncertainties, which makes the results useful for decision making. In conclusion, we have shown with field tests and simulations that the strain tensor in the caprock is sensitive to pressure in the reservoir, reservoir properties and boundaries, and pressure in the caprock caused by leaks. These results indicate that measuring and interpreting the shallow strain tensor could be a valuable tool for both initial reservoir characterization efforts and long-term monitoring during CCUS.

Murdoch, Larry↗
DOE OSTI2015

Parameterizing deep convection using the assumed probability density function method

Due to their coarse horizontal resolution, present-day climate models must parameterize deep convection. This paper presents single-column simulations of deep convection using a probability density function (PDF) parameterization. The PDF parameterization predicts the PDF of subgrid variability of turbulence, clouds, and hydrometeors. That variability is interfaced to a prognostic microphysics scheme using a Monte Carlo sampling method.The PDF parameterization is used to simulate tropical deep convection, the transition from shallow to deep convection over land, and mid-latitude deep convection.These parameterized single-column simulations are compared with 3-D reference simulations. The agreement is satisfactory except when the convective forcing is weak. The same PDF parameterization is also used to simulate shallow cumulus and stratocumulus layers. The PDF method is sufficiently general to adequately simulate these five deep, shallow, and stratiform cloud cases with a single equation set. This raises hopes that it may be possible in the future, with further refinements at coarse time step and grid spacing, to parameterize all cloud types in a large-scale model in a unified way.

Storer, R. L.↗
DOE OSTI2015

A new WRF-Chem treatment for studying regional-scale impacts of cloud processes on aerosol and trace gases in parameterized cumuli

A new treatment of cloud effects on aerosol and trace gases within parameterized shallow and deep convection, and aerosol effects on cloud droplet number, has been implemented in the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem) version 3.2.1 that can be used to better understand the aerosol life cycle over regional to synoptic scales. The modifications to the model include treatment of the cloud droplet number mixing ratio; key cloud microphysical and macrophysical parameters (including the updraft fractional area, updraft and downdraft mass fluxes, and entrainment) averaged over the population of shallow clouds, or a single deep convective cloud; and vertical transport, activation/resuspension, aqueous chemistry, and wet removal of aerosol and trace gases in warm clouds. These changes have been implemented in both the WRF-Chem chemistry packages as well as the Kain–Fritsch (KF) cumulus parameterization that has been modified to better represent shallow convective clouds. Testing of the modified WRF-Chem has been completed using observations from the Cumulus Humilis Aerosol Processing Study (CHAPS). The simulation results are used to investigate the impact of cloud–aerosol interactions on regional-scale transport of black carbon (BC), organic aerosol (OA), and sulfate aerosol. Based on the simulations presented here, changes in the column-integrated BC can be as large as –50% when cloud–aerosol interactions are considered (due largely to wet removal), or as large as +40% for sulfate under non-precipitating conditions due to sulfate production in the parameterized clouds. The modifications to WRF-Chem are found to account for changes in the cloud droplet number concentration (CDNC) and changes in the chemical composition of cloud droplet residuals in a way that is consistent with observations collected during CHAPS. Efforts are currently underway to port the changes described here to the latest version of WRF-Chem, and it is anticipated that they will be included in a future public release of WRF-Chem.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2007

Methylhopane Biomarker and Carbon Isotopic Evidence for Late Archean Aerobic Ecosystems

Molecular fossils are particularly valuable in early Earth studies because they provide information about microbial sources and ecology. Here we report on the distribution of 2- methyl and 3-methylhopanes preserved in a 2.72-2.56 billion-year-old section of shallow and deepwater sediments of the Hamersley Province [Eigenbrode et aI., submitted]. These biomarkers are mostly from cyanobacteria and oxygen-respiring methanotrophs, respectively. The relative abundance of 2-methylhopanes increases with carbonate abundance in shallow-water facies indicating cyanobacteria were key microbes in shallow ecosystems and suggesting they supplied both molecular oxygen and fixed carbon. The relative abundance of 3-methylhopane strongly correlates with kerogen-carbon isotopic values, and is more abundant in the samples with 13C-enriched signatures. Thus, molecular data provides evidence for cycling of methane in shallow settings, even though the anoxic deeper environments bear stronger 13C-depletion, which together suggests a more complex methane cycle than previously envisioned. Detailed facies analysis of the Hamersley carbon-isotope record reveals temporal changes suggesting continued oxidation of shallow settings favoring the expansion of aerobic ecosystems and respiring organisms [Eigenbrode et aI., 2006, PNAS, 103: 15759]. Similar analysis of published carbon-isotopic records suggests similar, but diachronous, expansion of oxygenated habitats in shallow then deep waters as anaerobic microbial communities gave way to respiring communities fueled by oxygenic photosynthesis before the post 2.45-Ga atmospheric oxygenation event [Eigenbrode et aI., 2006]. The robust relationships observed provide geochemical support for methanogenesis, aerobic methanotrophy, and oxygenic photosynthesis in the late Archean, as well as major ecological shifts linked to biogeochemical reorganization.

Eigenbrode, Jennifer L.↗
DOE OSTI2019

Long-Term Stewardship Optimization for a Decommissioned Nuclear Reactor - 19579

The decommissioned Hallam Nuclear Power Facility (Hallam), located in Lancaster County, Nebraska, approximately 19 miles south of Lincoln, was developed as a prototype to investigate the technical and economic feasibility of a sodium-cooled, graphite-moderated nuclear reactor. As part of its Power Demonstration Program, the US Atomic Energy Commission (US AEC), a predecessor agency of the US Department of Energy (US DOE), operated the Hallam reactor from 1962 to 1964. The radiological surveillance of the Hallam site was established when the operating agreement between AEC and the Nebraska Public Power District was terminated. The US DOE Chicago Operations Office and the Nebraska Department of Health (NDH) agreed to install a shallow groundwater monitoring system as part of the environmental surveillance program. Surveillance at the site was scheduled to end in fiscal year 2005, with no further activities planned after that. At that time, the plan was to transition the site to the Nebraska Public Power District with future use of the facility to remain restricted. US DOE has title to and responsibility for the entombed radioactive materials. A surveillance and monitoring program was initiated in 1970 by NDH and was funded by US AEC. It included the analysis of samples from deep production wells (groundwater from the regional aquifer at depths greater than 55 meters [180 feet]) at the Sheldon Station. NDH was concerned in 1990 about the possibility of shallow groundwater coming in contact with the buried radiological materials along the buried walls of the reactor. Subsequently, DOE and NDH agreed to further characterize hydrologic conditions and establish a monitoring program in the shallow, perched groundwater zones. The current monitoring program focuses on the shallow, perched groundwater. Today, decades since facility decommissioning, site inspections and groundwater monitoring continue at this Cold War-era legacy site. The US DOE Office of Legacy Management (LM) monitors groundwater as a best management practice in response to a request from the Nebraska Department of Health and Human Services (DHHS). In 2006, LM recommended discontinuing groundwater monitoring because analytical results since 1970 demonstrated there had been no impact to shallow, perched groundwater and no current or anticipated unacceptable risk to human health and the environment. The State of Nebraska did not concur with the recommendation to stop monitoring but did agree to a reduction in sampling and analysis from once a year to once every 2 years--a schedule that began in 2008. An updated assessment of the groundwater monitoring effort was issued in 2016. The entire body of water-quality data continues to demonstrate that there have been no negative impacts to the shallow, perched groundwater from radioactive materials entombed at the site 46 years ago. LM, with concurrence from Nebraska DHHS, changed the sampling frequency, effective in 2018, as follows: once every 5 years from 2021 to 2041 and once every 10 years from 2041 to 2071. In summary, LM remains committed to its primary mission to protect human health and the environment at each of its 92 legacy sites. With results from groundwater sampling events demonstrating compliance for 48 years, the Hallam site was able to set an LM benchmark to optimize long-term stewardship and define an end-state strategy for other decommissioned reactor facilities across the DOE complex. Continued collaboration with local communities, stakeholder, and regulators often leads to outcomes of sound protectiveness without compromise to safety or compliance, as demonstrated by the optimization of the long-term stewardship at the Hallam site. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2014

A sensitivity analysis of cloud properties to CLUBB parameters in the single-column Community Atmosphere Model (SCAM5)

In this study, we investigate the sensitivity of simulated shallow cumulus and stratocumulus clouds to selected tunable parameters of Cloud Layers Unified by Binormals (CLUBB) in the single column version of Community Atmosphere Model version 5 (SCAM5). A quasi-Monte Carlo (QMC) sampling approach is adopted to effectively explore the high-dimensional parameter space and a generalized linear model is adopted to study the responses of simulated cloud fields to tunable parameters. One stratocumulus and two shallow convection cases are configured at both coarse and fine vertical resolutions in this study.. Our results show that most of the variance in simulated cloud fields can be explained by a small number of tunable parameters. The parameters related to Newtonian and buoyancy-damping terms of total water flux are found to be the most influential parameters for stratocumulus. For shallow cumulus, the most influential parameters are those related to skewness of vertical velocity, reflecting the strong coupling between cloud properties and dynamics in this regime. The influential parameters in the stratocumulus case are sensitive to the choice of the vertical resolution while little sensitivity is found for the shallow convection cases, as eddy mixing length (or dissipation time scale) plays a more important role and depends more strongly on the vertical resolution in stratocumulus than in shallow convections. The influential parameters remain almost unchanged when the number of tunable parameters increases from 16 to 35. This study improves understanding of the CLUBB behavior associated with parameter uncertainties.

58 GEOSCIENCES↗