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166 GHz Ice Scattering Signal in Cold-Season Precipitating Cloud Systems

Surface snowfall can be produced by a variety of forcing mechanisms that are accompanied by different in-cloud physical processes and microphysical composition. For instance, shallow cumuliform snowfall forced by marine cold air outbreaks shows distinct geographic and seasonal signatures and plays in important role in annual snowfall production in many regions worldwide. Coincident CloudSat-CALIPSO observations confirm that oceanic regions exhibiting frequent shallow cumuliform snow are typically composed of mixed-phase cloud and precipitation particles and display passive microwave brightness temperature behavior that is dominated by cloud liquid water emission, while combined Global Precipitation Measurement (GPM) radiometer and surface radar studies of intense shallow cumuliform events indicate significant ice particle scattering signals at the highest GPM radiometer frequencies. Passive microwave imager channels in the 37 to 89 GHz range have long been used to detect precipitation-sized ice particle scattering signatures in clouds. Dual polarization plays an important role in distinguishing between scattering signatures and other background variability. The GPM Microwave Imager (GMI) is the first satellite radiometer to possess dual-polarized channels at 166 GHz. These high-frequency channels are more susceptible to emission and attenuation by cloud liquid water and water vapor than lower-frequency channels, but are also more sensitive to ice scattering. This research studies the ice scattering information contained in the 166 GHz channels compared to the historically used 85/89 GHz channels on previous sensors. A 166 GHz scattering index (SI) will be developed to understand how its correlation with non-precipitating ice scattering at higher altitudes also affects the 166 GHz scattering signature in cold-season precipitating cloud systems. The 166 GHz SI will be used to possibly isolate precipitation scattering signature for different snowfall modes (shallow convective vs. deep stratiform). The supercooled liquid water affecting shallow convective systems and drastically reducing the scattering signal could be detected and quantified, providing additional information for convective snow detection and quantification in solid precipitation retrieval algorithms.

Lisa Milani↗
DOE OSTI2025

Surface Trap Dynamics and Gamma‐Ray Detection Enhancement in Passivated FAPbBr 3 Perovskite Crystals

Perovskite‐based direct radiation detectors offer a compelling platform for room‐temperature gamma spectroscopy due to their high sensitivity, tunable optoelectronic properties, and compatibility with solution processing. While prior studies on formamidinium lead tribromide (FAPbBr 3 ) have shown that surface passivation mitigates deep trap state impact on the charge collection efficiency (CCE), the influence of surface‐based shallow traps on time‐resolved detector response remains largely unexplored. In this article, a digital signal processing (DSP) method is applied to analyze waveform rising edge dynamics in FAPbBr 3 single‐crystal detectors, identifying prompt and delayed charge collection components. Using the second derivative of the collected charge signal, the onset of shallow trap reemission is isolated, occurring 1.1 µs after carrier generation. Surface passivation suppressed deep trap states, shifting carrier occupancy toward shallower traps and extending the temporal window of delayed charge collection. This delayed contribution correlates with measurable changes in the temporal and amplitude distributions of detector events. By leveraging time‐domain filtering informed by these dynamics, a selective enhancement in signal quality and gamma peak‐to‐Compton ratio (PCR) is achieved, while preserving over 90% of photoelectric events. An improvement in the PCR to 1.80, from the original 1.09, is enabled by focusing on high collection efficiency events corresponding to reemitted carriers in the 1.1 to 3 µs range after the generation event. These results demonstrate a pathway for leveraging shallow trap dynamics to enhance spectral fidelity in time‐resolved perovskite detectors.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Hydraulic redistribution by deeply rooted grasses and its ecohydrologic implications in the southern Great Plains of North America

Perennial bioenergy crops with deep (>1 m) rooting systems, such as switchgrass (Panicum virgatum L.), are hypothesized to increase carbon storage in deep soil. Deeply rooted plants may also affect soil hydrology by accessing deep soil water for transpiration, which can affect soil water content and infiltration in deep soil layers, thereby affecting groundwater recharge. Using stable H and O isotope (δ 2 H and δ 18 O) and 3 H values, we studied the soil water conditions at 20–30 cm intervals to depths of 2.4–3.6 m in paired fields of switchgrass and shallow rooted crops at three sites in the southern Great Plains of North America. We found that soil under switchgrass had consistently higher soil water content than nearby soil under shallow-rooted annual crops by a margin of 15%–100%. Soil water content and isotopic depth profiles indicated that hydraulic redistribution of deep soil water by switchgrass roots explained these observed soil water differences. To our knowledge, these are the first observations of hydraulic redistribution in deeply rooted grasses, and complement earlier observations of dynamic soil water fluxes under shallow-rooted grasses. Hydraulic redistribution by switchgrass may be a strategy for drought avoidance, wherein the plant may actively prevent water limitation. Furthermore, this raises the possibility that deeply rooted grasses may be used to passively subsidize soil water to more shallow-rooted species in inter-cropping arrangements.

3H↗
DOE OSTI2021

Long-term single-column model intercomparison of diurnal cycle of precipitation over midlatitude and tropical land

General Circulation Models (GCMs) have for decades exhibited difficulties in modelling the diurnal cycle of precipitation (DCP). This issue can be related to inappropriate representation of the processes controlling sub-diurnal phenomena like convection. In this study, 11 single-column versions of GCMs are used to investigate the interactions between convection and environmental conditions, processes that control nocturnal convections, and the transition from shallow to deep convection on a diurnal time-scale. Long-term simulations are performed over two continental land sites: the Southern Great Plains (SGP) in the USA for 12 summer months from 2004 to 2015 and the Manacapuru site at the central Amazon (MAO) in Brazil for two full years from 2014 to 2015. The analysis is done on two regimes: afternoon convective regime and nocturnal precipitation regime. Most models produce afternoon precipitation too early, likely due to the missing transition of shallow-to-deep convection in these models. At SGP, the unified convection schemes better simulate the onset time of precipitation. At MAO, models produce the heating peak in a much lower level compared with observation, indicating too shallow convection in the models. For nocturnal precipitation, models that produce most of nocturnal precipitation all allow convection to be triggered above the boundary layer. This indicates the importance of model capability to detect elevated convection for simulating nocturnal precipitation. Sensitivity studies indicate that (a) nudging environmental variables towards observations has a minor impact on DCP, (b) unified treatment of shallow and deep convection and the capability to capture mid-level convection can help models better capture DCP, and (c) the interactions of the atmosphere with other components in the climate system (e.g. land) are also important for DCP simulations in coupled models. Finally, these results provide long-term statistical insights on which physical processes are essential in climate models to simulate DCP.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Daytime convective development over land: the role of surface forcing

Water availability at the Earth surface determines the portioning of the surface heat flux into its sensible and latent components, that is, the surface heat flux Bowen ratio. The two components affect differently the surface buoyancy flux and thus the development and growth of the convective boundary layer. As a result, the Bowen ratio has a strong impact on the daytime dry and moist convection development over land. Here, we use two canonical modeling test cases, one for the shallow convection and one for the shallow-to-deep convection transition, to document the impact of the surface Bowen ratio on daytime convection development. A simple approach is used where results from simulations featuring the original setup are contrasted with simulations where surface sensible heat flux takes on values of the latent heat flux and vice versa. Such a change illustrates the key impact of the surface water availability without changing the total surface heat flux. Because of the larger surface buoyancy flux, simulations with the reversed surface heat fluxes feature faster deepening of the convective boundary layer and wider clouds once moist convection develops. Mean cloud base width of cumulus clouds increases with the boundary layer depth. For shallow-to-deep convection transition, comparison of simulations with the observed large-scale flow that feature substantial lower-tropospheric shear with simulations with no mean horizontal flow suggests that the organization of convective circulations within the boundary layer strongly affects initial size and organization of shallow convection, as well as the subsequent width increase once convection deepens and eventually transitions to deep precipitating convection. A simple explanation is provided of why deeper well-mixed convective subcloud layer results in wider clouds. The key is the larger width of boundary layer coherent updraft structures when the mixed layer is deeper.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Groundwater recharge mechanism in an integrated tableland of the Loess Plateau, northern China: insights from environmental tracers

Assessing groundwater recharge characteristics (recharge rate, history, mechanisms (piston and preferential flow)) and groundwater age in arid and semi-arid environments remains a difficult but important research frontier. Such assessments are particularly important when the unsaturated zone (UZ) is thick and the recharge rate is limited. This study combined evaluations of the thick UZ with those of the saturated zone and used multiple tracers, such as Cl, NO{sub 3}, Br, {sup 2}H, {sup 18}O, {sup 13}C, {sup 3}H and {sup 14}C, to study groundwater recharge characteristics in an integrated loess tableland in the Loess Plateau, China, where precipitation infiltration is the only recharge source for shallow groundwater. The results indicate that diffuse recharge beneath crops, as the main land use of the study area, is 55–71 mm yr{sup −1} based on the chloride mass balance of soil profiles. The length of time required for annual precipitation to reach the water table is 160–400 yrs. The groundwater is all pre-modern water and paleowater, with corrected {sup 14}C age ranging from 136 to 23,412 yrs. Most of the water that eventually becomes recharge originally infiltrated in July–September. The Cl and NO{sub 3} contents in the upper UZ are considerably higher than those in the deep UZ and shallow groundwater because of recent human activities. The shallow groundwater has not been in hydraulic equilibrium with present near-surface boundary conditions. The homogeneous material of the UZ and relatively old groundwater age imply that piston flow is the dominant recharge mechanism for the shallow groundwater in the tableland.

58 GEOSCIENCES↗
DOE OSTI2021

Diagnostic assessment of reservoir response to fracturing: a case study from Hydraulic Fracturing Test Site (HFTS) in Midland Basin

Abstract This paper outlines a data collection and diagnostics case study involving multiple horizontal shale wells. We look at well production profiles using rate transient analysis, differences in near wellbore complexity, geologic variations within the area of interest, as well as compositional differences in the rocks based on cores obtained from within the stimulated reservoir. The Hydraulic Fracturing Test Site is a multi-well experiment involving stimulation of unconventional shale wells in the southeastern Midland portion of the Permian Basin. The targeted formations include both the upper as well as the middle Wolfcamp formations, also referred alternatively as Wolfcamp A and Wolfcamp B. Data integration and analysis shared in this paper help us understand the various geologic controls impacting well productivity, particularly the wide variance observed between the Wolfcamp A and Wolfcamp B formations. Rate transient analysis indicates similar system permeabilities for stimulated wells. However, we observe higher effective fracture half-lengths for upper Wolfcamp wells. Using observations from 3D seismic interpretations (such as pad scale faults) as well as petrophysical and image log data, we highlight the substantial differences in stimulation as we move along the well laterals from the heel toward the toe sections. These differences are further reconciled with observations from zones with high data density at the core locations through stimulated rock, as well as independent data such as microseismic emissions. At the test site, Wolfcamp A was found to be relatively quartz rich with significant heterogeneity whereas Wolfcamp B is richer in clay and organic content. This impacts the geomechanical characteristics of the rock mass with much higher natural fracture density in the shallower interval. Thus, the fracture growth is more uniform in the deeper interval and more heterogeneous with branching likely in upper interval. Increased complexity also leads to consistently better productivity from the wells in the shallower interval as demonstrated from RTA results. This case study is unique because it provides valuable insights from actual sampling of the stimulated zones in hydraulically fractured wells and helps understand impact of various factors that contribute toward variability in well production. The findings from this study provides insights into need for optimization of completion designs in the various Wolfcamp landing zones, such as optimization of cluster or fracture spacing in various Wolfcamp intervals. In addition, it provides a useful template for data collection and research direction in future field test sites of similar nature in unconventional reservoirs.

Energy & Fuels↗
DOE OSTI2022

Quantifying the drivers of ecosystem fluxes and water potential across the soil-plant-atmosphere continuum in an arid woodland

Dryland ecosystems occupy a vast swath of the terrestrial land surface and exert a sizeable impact on the cycling of carbon and water globally. These biomes are characterized by tightly coupled carbon and water cycles that respond rapidly to transient pulses in water availability. However, there exist many mechanistic uncertainties regarding the environmental drivers of, and linkages between, plant and ecosystem processes. Thus, drylands are often poorly represented in many vegetation and land surface models. An enhanced understanding of dryland ecosystem function is limited by the lack of long-term, co-located, and frequent measurements of plant and ecosystem processes. At a piñon-juniper woodland in southeastern Utah, USA, we collected a continuous dataset of meteorological conditions, soil water potential from surface to bedrock, tree water potential, and ecosystem carbon and water fluxes from eddy covariance. We found that predawn and midday tree water potential and daily ecosystem fluxes were highly sensitive to fluctuations in soil water availability, particularly in shallower layers, and that daytime variability in atmospheric drivers only loosely controlled these processes. The strong connections between shallow soil water potential, tree water potential, and ecosystem fluxes occurred because of the dominant role of precipitation pulses in driving vegetation activity, as even small pulses of moisture stimulated shallow soil water potential, tree water potential, and evapotranspiration for between 1 and 2 weeks. Carbon fluxes (net ecosystem exchange and gross primary productivity) were sensitive to precipitation pulses for longer, up to 3 weeks. Our results highlight that improved monitoring and sensing of shallow soil moisture can greatly enhance our understanding of dryland ecosystem function. Here, a better mechanistic understanding of the impacts of precipitation pulses is also needed to improve vegetation modeling of dryland ecosystems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Environmental evaluation of radioactivity levels and associated radiation hazards in groundwater around the WIPP site

Groundwater may contain radioactive substances which can be dangerous to human health. Concentrations of natural radionuclides polonium (Po), thorium (Th), uranium (U), and radium (Ra) isotopes were measured in groundwater samples collected from different locations in the vicinity of the Waste Isolation Pilot Plant (WIPP) site in Carlsbad, New Mexico. The average values of gross activity concentrations of 210 Po, 228 Th, 238 U, 234 U, 226 Ra and 228 Ra isotopes were determined to be 1.62 Bq L -1 in shallow groundwater and 5.88 Bq L -1 in deep groundwater, respectively. The total radioactivity in deep groundwater was higher than that in shallow groundwater, and most of the radioactivity in the water is from 226 Ra. Furthermore, the effective doses for ingestion of natural radionuclides were about 0.333 mSv y–1 for shallow groundwater and about 1.338 mSv y –1 for deep groundwater samples, which are higher than the World Health Organization (WHO, 2017) guideline level (0.1 mSv y –1 ) for drinking water. Ra dominated the total ingestion dose, contributing 93.06 % and 75.40 % of the total effective doses to the deep and shallow groundwater, respectively. The ingrowth and decay of natural radionuclides suggested that 228 Ra/ 226 Ra ratio can be a useful indicator of the source of radioactive contamination. The radioactivity data obtained from the investigated groundwater samples can be used to establish a baseline for radioactivity levels in groundwater around the WIPP site.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2018

Assessment and uncertainty analysis of groundwater risk

Highlights: • Two different sets of index evaluation systems for shallow and deep groundwater were built respectively. • Ordinary kriging was adopted to execute the interpolation estimation. • The synthetic weights were adopted merging the AHP method and PCA method. • The uncertainty of groundwater risk was analyzed by indicator kriging. Groundwater with relatively stable quantity and quality is commonly used by human being. However, as the over-mining of groundwater, problems such as groundwater funnel, land subsidence and salt water intrusion have emerged. In order to avoid further deterioration of hydrogeological problems in over-mining regions, it is necessary to conduct the assessment of groundwater risk. In this paper, risks of shallow and deep groundwater in the water intake area of the South-to-North Water Transfer Project in Tianjin, China, were evaluated. Firstly, two sets of four-level evaluation index system were constructed based on the different characteristics of shallow and deep groundwater. Secondly, based on the normalized factor values and the synthetic weights, the risk values of shallow and deep groundwater were calculated. Lastly, the uncertainty of groundwater risk assessment was analyzed by indicator kriging method. The results meet the decision maker's demand for risk information, and overcome previous risk assessment results expressed in the form of deterministic point estimations, which ignore the uncertainty of risk assessment.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Effects of increased upward flux of dissolved salts caused by CO2 storage or other factors

Injection of CO2 in deep saline aquifers is being considered to reduce greenhouse gases in the atmosphere, and this process is expected to increase the pressure in these deep aquifers. One potential consequence of pressurization is an increase in the upward flux of saline water. Saline groundwater occurs naturally at shallow depths in many sedimentary basins, so an upward flux of solutes could degrade the quality of freshwater aquifers and threaten aquatic ecosystems. One problem could occur where saline water flowed upward along preferential paths, like faults or improperly abandoned wells. Diffuse upward flow through the natural stratigraphy could also occur in response to basin pressurization. This process would be slower, but diffuse upward flow could affect larger areas than flow through preferential paths, and this motivated us to evaluate this process. We analyzed idealized 2D and 3D geometries representing the essential details of a shallow, freshwater aquifer underlain by saline ground water in a sedimentary basin. The analysis was conducted in two stages, one that simulated the development of a freshwater aquifer by flushing out saline water, and another that simulated the effect of a pulse-like increase in the upward flux from the basin. The results showed that increasing the upward flux from a basin increased the salt concentration and mass loading of salt to streams, and decrease the depth to the fresh/salt transition. The magnitude of these effects varied widely, however, from a small, slow process that would be challenging to detect, to a large, rapid response that could be an environmental catastrophe. The magnitude of the increased flux, and the initial depth to the fresh/salt transition in groundwater controlled the severity of the response. We identified risk categories for salt concentration, mass loading, and freshwater aquifer thickness, and we used these categories to characterize the severity of the response. This showed that risks would likely be minor if the upward flux was smaller than a few tenths of the magnitude of recharge, according to the 2D analyses. The 3D analyses also show that upward flux could occur without a significant increase in the risk categories. The major contribution of this work is that it shows how a large increase in diffuse upward flux from a basin could cause significant problems, but a small increase in upward flux may occur without significantly affecting risks to the shallow freshwater flow system. This heightens the importance of understanding interactions between shallow and deep hydrologic systems when characterizing CO2 storage projects.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2012

Evaluation of solitary waves as a mechanism for oil transport in poroelastic media: A case study of the South Eugene Island field, Gulf of Mexico basin

Hydrocarbons in shallow reservoirs of the Eugene Island 330 field in the Gulf of Mexico basin are thought to have migrated rapidly along low permeability sediments of the Red fault zone as discrete pressure pulses from source rocks at depths of about 4.5 km. The aim of this research was to evaluate the hypothesis that these pressure pulses represent solitary waves by investigating the mechanics of solitary wave formation and motion and wave oil transport capability. A two-dimensional numerical model of Eugene Island minibasin formation predicted overpressures at the hydrocarbon source depth to increase at an average rate of 30 Pa/yr, reaching 52 MPa by the present day and oil velocities of 1E-12 m/yr, far too low for kilometer scale oil transport to fill shallow Plio-Pleistocene reservoirs within the 3.6 million year minibasin history. Calculations from a separate one-dimensional model that used the pressure generation rate from the two-dimensional model showed that solitary waves could only form and migrate within sediments that have very low permeabilities between 1-25 to 1-24 m2 and that are highly overpressured to 91-93% of lithostatic pressure. Solitary waves were found to have a maximum pore volume of 105 m3, to travel a maximum distance of 1-2 km, and to have a maximum velocity of 1-3 m/yr. Based on these results, solitary waves are unlikely to have transported oil to the shallowest reservoirs in the Eugene Island field in a poroelastic fault gouge rheology at the pressure generation rates likely to have been caused by disequilibrium compaction and hydrocarbon generation. However, solitary waves could perhaps be important agents for oil transport in other locations where reservoirs are closer to the source rocks, where the pore space is occupied by more than one fluid, or where sudden fracturing of overpressured hydrocarbon source sediments would allow the solitary waves to propagate as shock waves. Hydrocarbons in shallow reservoirs of the Eugene Island 330 field in the Gulf of Mexico basin are thought to have migrated rapidly along low permeability sediments of the Red fault zone as discrete pressure pulses from source rocks at depths of about 4.5 km. The aim of this research was to evaluate the hypothesis that these pressure pulses represent solitary waves by investigating the mechanics of solitary wave formation and motion and wave oil transport capability. A two-dimensional numerical model of Eugene Island minibasin formation predicted overpressures at the hydrocarbon source depth to increase at an average rate of 30 Pa/yr, reaching 52 MPa by the present day and oil velocities of 1-12 m/yr, far too low for kilometer scale oil transport to fill shallow Plio-Pleistocene reservoirs within the 3.6 million year minibasin history. Calculations from a separate one-dimensional model that used the pressure generation rate from the two-dimensional model showed that solitary waves could only form and migrate within sediments that have very low permeabilities between 1-25 to 1-24 m2 and that are highly overpressured to 91-93% of lithostatic pressure. Solitary waves were found to have a maximum pore volume of 100,000 m3, to travel a maximum distance of 1-2 km, and to have a maximum velocity of 1-3 m/yr. Based on these results, solitary waves are unlikely to have transported oil to the shallowest reservoirs in the Eugene Island field in a poroelastic fault gouge rheology at the pressure generation rates likely to have been caused by disequilibrium compaction and hydrocarbon generation. However, solitary waves could perhaps be important agents for oil transport in other locations where reservoirs are closer to the source rocks, where the pore space is occupied by more than one fluid, or where sudden fracturing of overpressured hydrocarbon source sediments would allow the solitary waves to propagate as shock waves.

02 PETROLEUM↗
DOE OSTI2018

Classifying Precipitation Types in Tropical Cyclones Using the NRL 37 GHz Color Product

The tropical cyclone (TC) webpage developed by the U.S. Naval Research Lab (NRL) has been widely used by the community for real-time TC monitoring and forecasting. Using 14 years of Tropical Rainfall Measuring Mission Microwave Imager and Precipitation Radar data in TCs, precipitation/convection types are quantitatively classified based on vertical radar profiles corresponding to seven different color regions in the NRL's 37 GHz color composite product. The bright cyan and all pink (including pure pink, bright cyan/pink, and weak cyan/pink, and green/pink) regions are identified as nearly 100% precipitative regions. The bright cyan and pure pink regions are shallow and deep convective precipitation, respectively, while the green/pink, weak cyan/pink, and bright cyan/pink regions are mainly stratiform rain. Eighty-four percent of pixels in the weak cyan region are precipitating, including either shallow convective, stratiform, or anvil precipitation. Seventy-six percent of pixels in the green region are nonprecipitating pixels, and 24% of them are very lightly precipitating pixels, which could be contaminated from clouds with high liquid water content. The ability to perform TC precipitation-type analysis of this detail (convective versus stratiform and deep versus shallow) was previously only possible using radar-based classification algorithms. In conclusion, using the 37 GHz precipitation-type analysis, a significant increase of coverage of stratiform precipitation and shallow convection in the inner core is found between 3 and 21 hr before the onset of TC rapid intensification.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

The Two-Energies Turbulence Scheme Coupled to the Assumed PDF Method

An update of the two-energy turbulence scheme is presented, the 2TE + APDF scheme. The original version of the two-energy scheme is able to successfully model shallow convection without the need of an additional parameterization for non-local fluxes. However, the performance of the two-energy scheme is worse in stratocumulus cases, where it tends to overestimate the erosion of the stable layers. We have identified the causes: the non-local stability parameter does not consider local stratification, the scheme lacks an internal parameter that could distinguish between a shallow convection regime and a stratocumulus regime, and it uses an inflexible turbulence length scale formulation. To alleviate this problem, we propose several modifications: an update of the stability parameter, a modified computation of the turbulence length scale, and the introduction of the entropy potential temperature to distinguish between a shallow convection and a stratocumulus regime. In addition, the two-energy scheme is coupled to a simplified assumed probability density function method in order to achieve a more universal representation of the cloudy regimes. The updated turbulence scheme is evaluated for several idealized cases and one selected real case in the ICOsahedral Nonhydrostatic (ICON) modeling framework. The results show that the updated scheme corrects the overmixing problem in the stratocumulus cases. The performance of the updated scheme is comparable to the operational setup, and can be thus used instead of the operational turbulence and shallow convection scheme in ICON. Additionally, the updated scheme improves the coupling with dynamics, which is beneficial for the modeling of coherent flow structures in the atmospheric boundary layer.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Sea–Level Rise Impacts on Tidal Marshes and Estuarine Biogeochemical Processes

We used a numerical model to investigate the effects of sea-level rise (SLR) on the biogeochemical processes in the York River Estuary with extensive tidal marshes. The fully-coupled hydrodynamic-water quality-marsh model accounts for the spatial and temporal variations of physical-biogeochemical interactions between the tidal marshes and surrounding waters. This study focuses on an SLR scenario where the vertical accretion of tidal marshes keeps pace with the rising sea levels. Results show that SLR amplifies the tidal range and prolongs flooding duration, which results in enhanced porewater exchanges of materials between the tidal marshes and the surrounding waters. The increased availability of shallow-water habitats and enhanced light utilization in the shallow areas under SLR promote phytoplankton production (PP) in the shallow-water regions of the York River. Consequently, the organic carbon in the open water is fueled by the contributions from shallow waters and the enhanced export of organic carbon from the marshes. The change in the dissolved oxygen (DO) budget in the York River Estuary is attributed to changes in water column respiration, net metabolism of the benthic layer, reaeration, PP, and increased stratification under SLR. The net DO flux out of the York River increases at the York River mouth. Diel DO variation, especially in the marshes in the upper estuary, promotes phosphorus release from the sediment. The changes in dissolved nitrogen under SLR are relatively minimal.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Hydrology Outweighs Temperature in Driving Production and Export of Dissolved Carbon in a Snowy Mountain Catchment

Abstract Terrestrial production and export of dissolved organic and inorganic carbon (DOC and DIC) to streams depends on water flow and biogeochemical processes in and beneath soils. Yet, understanding of these processes in a rapidly changing climate is limited. Using the watershed‐scale reactive‐transport model BioRT‐HBV and stream data from a snow‐dominated catchment in the Rockies, we show deeper groundwater flow averaged about 20% of annual discharge, rising to ∼35% in drier years. DOC and DIC production and export peaked during snowmelt and wet years, driven more by hydrology than temperature. DOC was primarily produced in shallow soils (1.94 ± 1.45 gC/m 2 /year), stored via sorption, and flushed out during snowmelt. Some DOC was recharged to and further consumed in the deeper subsurface via respiration (−0.27 ± 0.02 gC/m 2 /year), therefore reducing concentrations in deeper groundwater and stream DOC concentrations at low discharge. Consequently, DOC was primarily exported from the shallow zone (1.62 ± 0.96 gC/m 2 /year, compared to 0.12 ± 0.02 gC/m 2 /year from the deeper zone). DIC was produced in both zones but at higher rates in shallow soils (1.34 ± 1.00 gC/m 2 /year) than in the deep subsurface (0.36 ± 0.02 gC/m 2 /year). Deep respiration elevated DIC concentrations in the deep zone and stream DIC concentrations at low discharge. In other words, deep respiration is responsible for the commonly‐observed increasing DOC concentrations (flushing) and decreasing DIC concentrations (dilution) with increasing discharge. DIC export from the shallow zone was ~66% of annual export but can drop to ∼53% in drier years. Numerical experiments suggest lower carbon production and export in a warmer, drier future, and a higher proportion from deeper flow and respiration processes. These results underscore the often‐overlooked but growing importance of deeper processes in a warming climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Evapotranspiration depletes groundwater under warming over the contiguous United States

A warmer climate increases evaporative demand. However, response to warming depends on water availability. Existing earth system models represent soil moisture but simplify groundwater connections, a primary control on soil moisture. Here we apply an integrated surface-groundwater hydrologic model to evaluate the sensitivity of shallow groundwater to warming across the majority of the US. We show that as warming shifts the balance between water supply and demand, shallow groundwater storage can buffer plant water stress; but only where shallow groundwater connections are present, and not indefinitely. As warming persists, storage can be depleted and connections lost. Similarly, in the arid western US warming does not result in significant groundwater changes because this area is already largely water limited. The direct response of shallow groundwater storage to warming demonstrates the strong and early effect that low to moderate warming may have on groundwater storage and evapotranspiration.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Carrier providers or killers: The case of Cu defects in CdTe

Defects play important roles in semiconductors for optoelectronic applications. Common intuition is that defects with shallow levels act as carrier providers and defects with deep levels are carrier killers. Here, taking the Cu defects in CdTe as an example, we show that relatively shallow defects can play both roles. Using first-principles calculation methods combined with thermodynamic simulations, we study the dialectic effects of Cu-related defects on hole density and lifetime in bulk CdTe. Because CuCd can form a relatively shallow acceptor, we find that increased Cu incorporation into CdTe indeed can help achieve high hole density; however, too much Cu can cause significant non-radiative recombination. We discuss strategies to balance the contradictory effects of Cu defects based on the calculated impact of Cd chemical potential, copper defect concentrations, and annealing temperature on lifetime and hole density. Lastly, these findings advance the understanding of the potential complex defect behaviors of relatively shallow defect states in semiconductors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗