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At least 127 records · Page 7

A multiphysics coupling framework for exascale simulation of fracture evolution in subsurface energy applications

Predicting the evolution of fractured media is challenging due to coupled thermal, hydrological, chemical and mechanical processes that occur over a broad range of spatial scales, from the microscopic pore scale to field scale. We present a software framework and scientific workflow that couples the pore scale flow and reactive transport simulator Chombo-Crunch with the field scale geomechanics solver in GEOS to simulate fracture evolution in subsurface fluid-rock systems. This new multiphysics coupling capability comprises several novel features. An HDF5 data schema for coupling fracture positions between the two codes is employed and leverages the coarse resolution of the GEOS mechanics solver which limits the size of data coupled, and is, thus, not taxed by data resulting from the high resolution pore scale Chombo-Crunch solver. The coupling framework requires tracking of both before and after coarse nodal positions in GEOS as well as the resolved embedded boundary in Chombo-Crunch. We accomplished this by developing an approach to geometry generation that tracks the fracture interface between the two different methodologies. The GEOS quadrilateral mesh is converted to triangles which are organized into bins and an accessible tree structure; the nodes are then mapped to the Chombo representation using a continuous signed distance function that determines locations inside, on and outside of the fracture boundary. The GEOS positions are retained in memory on the Chombo-Crunch side of the coupling. The time stepping cadence for coupled multiphysics processes of flow, transport, reactions and mechanics is stable and demonstrates temporal reach to experimental time scales. The approach is validated by demonstration of 9 days of simulated time of a core flood experiment with fracture aperture evolution due to invasion of carbonated brine in wellbore-cement and sandstone. We also demonstrate usage of exascale computing resources by simulating a high resolution version of the validation problem on OLCF Frontier.

97 MATHEMATICS AND COMPUTING↗

Simulations of Water Flow in Relation to a Steady Criticality in an Unsaturated Alluvial Repository

Oak Ridge National Laboratory (ORNL) is examining the conditions under which a criticality event could be ruled out for large packages placed in an unsaturated alluvial repository. This work specifically examines the water level in a stylized waste package that is assumed (1) to fail on the top, and (2) to empty as water is driven away—not by boiling—but by fluid flow phenomena driven by thermal gradients. This analysis uses the PFLOTRAN code package. Specifically, this year’s work includes examination of the heat rate at which water is driven away for various percolation rates using the same assumptions listed in the 2022 annual report. The STANDARDS (formerly UNF-ST&DARDS) package has predicted dual-purpose canister (DPC) neutron multiplication factors (k-effectives) ranging above 1.1 (unitless) with failed components. The DPC designs were not created with the intent to use for disposal purposes. Emplacing such packages may be worth consideration if it can be shown that criticality is either extremely unlikely or of very low consequence to the repository’s safety case. This work aims to help establish hydrologic boundary conditions for a highly hypothetical, highly stylized subsurface criticality event. The approach to critical is assumed to be slow, producing steady heating rates under a few kilowatts. For a DPC containing capillary media, the simulated power required for dry-out was proportional to the percolation rate but was unaffected by the size of a large breech on top of the DPC. Results for single cases with no capillary media in the DPC suggest that higher infiltration rates may be required in those cases to cause flooding. Bounding mechanisms and assumptions must be identified and characterized further by performing additional perturbations to various input parameters to demonstrate robustness of the results. This might be accomplished by examining responses to power pulses to determine the system transfer function required to enable a reduced order feedback model.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Modeled sub-hourly nitrate concentrations in subsurface water across a salt marsh system in Elkhorn Slough, California

Salt marshes are dynamic hydrologic systems where terrestrial groundwater, terrestrial surface water, and seawater mix due to bi-directional flows and pressure gradients. Salt marshes are known to remove excess nitrate from water thereby improving water quality in coastal systems. However, our knowledge of the short-term processes (e.g., intra-tidal) in salt marshes is limited. Further, we lack knowledge about how these short-term dynamics may change as a function of seasonality. To address this knowledge gap, we develope a sampling methodology that allowed us to continuously measure nitrate in subsurface water at three different depths across three marsh elevations at sub-hourly time steps. Here we present a data table with the results of nitrate in porewater across the three salt marsh elevations (information in the data set). We analyzed nitrate with a s::can spectrophotometer. We used the UV-Vis absorbance of the samples to calculate nitrate concentrations using a local calibration library. More information about the methodology can be found in Grande et al (2023). Seasonal and Tidal Variations in Hydrologic Inputs Drive Salt Marsh Porewater Nitrate Dynamics, Hydrological Processes.

54 ENVIRONMENTAL SCIENCES↗

Subsurface fluvial sediments beneath InSight on Mars from geophysical constraints

Subsurface structure investigation on Mars is crucial for understanding its geological evolution and past hydrological conditions. Elysium Planitia (EP), located near the hypothesized ancient ocean shorelines, could contain clues for past water activity and paleoclimate. Here we present better-constrained subsurface models beneath InSight extending to ~800 m depth, obtained from joint inversion of seismic and seismoacoustic coupling data, and use the well-resolved subsurface structure to explore the lithological profile through rock physics models. The derived subsurface lithology agrees well with local geological context and exhibits a shallow 60-m-thick low-rigidity layer consistent with hydrated sedimentary materials. Despite possible contributions of aeolian and volcanic deposits, we favor the interpretation that the low-rigidity layer originated from fluvial activity in EP during the Hesperian or Hesperian-to-Amazonian epoch, as supported by adjacent paleo-shoreline morphology observations. These results hint at a period of warmer paleoclimate at low latitudes, possibly during high-obliquity phases of Mars’ rotational axis.

58 GEOSCIENCES↗

Validation of the Community Land Model Version 5 over the Contiguous United States (CONUS) using in situ and remote sensing data sets

The Community Land Model (CLM) is an effective tool to simulate the biophysical and biogeochemical processes and their interactions with the atmosphere. Although CLM Version 5 (CLM5) constitutes various updates in these processes, its performance in simulating energy, water and carbon cycles over the Contiguous United States (CONUS) at scales which land surface changes and hydrometeorological and hydroclimatological applications are more locally relevant is yet to be assessed. In this study, we conducted three simulations at 0.125? during 1979-2018 over the CONUS using different configurations of CLM, namely CLM5-biogeochemistry (CLM5BGC), CLM4.5BGC, and CLM5-satellite phenology (CLM5SP). We validated and compared their simulations against multiple remote-sensed and in-situ datasets. Overall, the parametric and structural updates (e.g., carbon cost for nitrogen uptake, variable soil thickness, dry surface layer) in CLM5 improve its ability in capturing terrestrial biogeochemical dynamics. The low evapotranspiration in CLM5BGC is associated with biases in simulating vegetation phenological characteristics rather than soil water limitations. The mismatch between CLM5BGC-simulated peak leaf area index and reference data can be attributed to CLM5BGC's inability in simulating phenology of trees and grasses. The differences between CLM-simulated irrigation and reference estimates can be attributed to differences between processes represented in models and in reality, and uncertainties in input and validation datasets. Evaluation against observations at small catchments suggest that hydrologic parameters needed to be calibrated to improve simulations of runoff, especially subsurface runoff. Additional efforts are needed to incorporate spatially-distributed plant phenology and physiology parameters and regional-specific agricultural management practices (e.g., planting, harvest).

Cheng, Yanyan↗

Electrical monitoring of saline tracers to reveal subsurface flow pathways in a flat ditch-drained field

Time-lapse electrical resistivity imaging (ERI) combined with salt tracers can enhance our understanding of subsurface flow and transport in ditch-drained agroecosystems. In a nearly level field adjacent to a drainage ditch, we installed 192 electrodes in a 72-m2 plot along with five hydrometric stations to enable time-lapse ERI monitoring during storms. Immediately prior to a wintertime rainstorm, we applied 5 kg of KBr to a shallow trench located roughly 11 m upgradient from the ditch. Antecedent conditions prior to the storm were wet, assuring a hydrologically connected state that favored tracer dissolution and movement in the subsurface. We monitored the evolution of the tracer plume with ERI over a seven-day period. Four-dimensional (4D) delineation of precipitation and tracer transport using time-lapse ERI showed that the tracer plume moved preferentially downward through a discontinuity in the argillic horizon within the first 57 hrs. Over the following 79 hrs, the tracer plume exhibited steady, lateral movement towards the drainage ditch within a more permeable sandy horizon situated just below the argillic. A spatial moment analysis of logarithmic changes in conductivity in the sand layer revealed seepage velocities ranging from 0.0027 to 0.0482 m d-1; these values were positively correlated with hydraulic gradients, suggesting laminar flow processes typical of sandy aquifers. Increasing groundwater velocities with hydraulic gradients suggest that solute transfers from groundwater to ditch are likely to be faster in storms, especially during wet periods. Even so, predominantly slow lateral transport within the sandy horizon, even during storms, indicates that critical source areas of pollutant loss are likely within a few meters of the ditch.

Robinson, Judith L.↗

A hydrogeophysical framework to assess infiltration during a simulated ecosystem-scale flooding experiment

This study presents a framework to quantify changes in soil saturation in response to flooding caused by extreme hydrologic perturbation on coastal ecosystems at the interfaces and transition between terrestrial and aquatic systems. Subsurface heterogeneity limits the use of in situ measurements to quantify subsurface flow during flooding due to the spatial discontinuity in the measured data. While geophysical methods, including time-lapse electrical resistivity imaging (ERI), are increasingly used to monitor soil hydrological processes, their abilities to parameterize flow models have been underutilized. This study combines background ERI, ground penetrating radar (GPR), time-lapse ERI, soil characterization, and a numerical flow model developed using an Advanced Terrestrial Simulator (ATS) code to quantify the infiltration pathway and describe the hydrological dynamics during a simulated flooding experiment. We assessed the use of two conceptual models developed using [1] ERI and GPR data that described the stratigraphic distribution, and time-lapse ERI that mapped permeability contrast, and [2] information from a national soil database for capturing changes in saturation. Combining the ERI and GPR results with soil core data revealed the stratigraphic heterogeneity at the site with a silty clay layer from 1 to 2 m between an overlying loamy topsoil and an underlying saturated silty sand. This silty clay layer could restrict deep infiltration. The time-lapse ERI showed up to a 35% decrease in resistivity, which correlated with soil moisture data (R 2 value > 0.53) and revealed preferential infiltration zones used to inform the flow model. Numerical simulation results from both the geophysics- and soil database-informed models quantified changes in soil saturation with calculated soil moistures that agreed with field data. The geophysics-informed model captured more of the system’s variability, reflective of shallow subsurface heterogeneities. The framework presented will serve as a precursor for a robust ecohydrological model that can describe the impacts of extreme events induced by climate change on coastal ecosystems.

54 ENVIRONMENTAL SCIENCES↗

Old-Aged groundwater contributes to mountain hillslope hydrologic dynamics

Understanding connectivity between the soil and deeper bedrock groundwater is needed to accurately predict a watershed’s response to perturbation, such as drought. Yet, the bedrock groundwater dynamics in mountainous environments are typically under-constrained and excluded from watershed hydrologic models. Here, we investigate the role of groundwater characterized with decadal and longer water ages on the hydrologic and mass-transport processes within a steep snow-dominated mountain hillslope in the Central Rocky Mountains (USA). We quantify subsurface and surface water mass-balance, groundwater flowpaths, and age distributions using the ParFlow-CLM integrated hydrologic and EcoSLIM particle tracking models, which are compared to hydrometric and environmental tracer observations. An ensemble of models with varied soil and hydrogeologic parameters reproduces observed groundwater levels and century-scale mean ages inferred from environmental tracers. The numerical models suggest soil water near the toe of the hillslope contains considerable (>60 % of the mass-flux) contributions from bedrock flowpaths characterized with water ages >10 years. Flowpath connectivity between the deeper bedrock and soil systems is present throughout the year, highlighting the potentially critical role of groundwater with old ages on processes such as evapotranspiration and streamflow generation. The coupled numerical model and groundwater age observations show the bedrock groundwater system influences the hillslope hydrodynamics and should be considered in mountain watershed conceptual and numerical models.

54 ENVIRONMENTAL SCIENCES↗

Hydrologic response of artificially drained agricultural watersheds: insights from high-resolution integrated surface/subsurface simulations

Artificial drainage systems comprising subsurface networks of perforated pipes (tile drains) and engineered surface ditches are widely used to remove excess water from poorly drained agricultural regions. Artificial drainage lowers the water table by design but also has inadvertent effects on the watershed-scale hydrologic response with important implications for flood risk and nutrient exports. We investigated the effects of tile drains on watershed-scale hydrologic response in the Portage River, OH, Watershed using a high-resolution physically based integrated surface/subsurface hydrology model with recently developed capabilities to represent artificial drainage. Tile drains were found to enhance streamflow during times of low flow, generally consistent with previous studies. Streamflow flashiness was found to have a non-monotonic dependence on tile spacing with a minimum at intermediate spacings (∼50 m). Flashiness and the event hydrographs for small tile spacing were similar to the situation with no tiles, but flow paths from farm to stream were very different for those two end member cases, emphasizing the limitations of the stream hydrograph in characterizing hydrologic response. For typical tile spacings, peak flow can either be enhanced or attenuated by the presence of tiles, depending on the size of the event and the antecedent meteorological conditions. Tiles enhance peak flow when the event is below a threshold of ∼25 mm or when events arrive in dry conditions. Peak flow is reduced by tiles when events are large and arrive in conditions that are not overly dry. The dependence on event size and antecedent conditions is explained by differences in available storage and flow paths to the streams. These results provide additional insights into how tile drainage modulates event-scale hydrologic response, an important control on flood generation mechanisms and nutrient exports.

agricultural watershed↗

Impact of Lateral Flow on Surface Water and Energy Budgets over the Southern Great Plains – A Modeling Study

As we see the horizontal grid spacing decrease, treatment of hydrologic processes in land surface models, such as the lateral flow of surface and subsurface flow, need to be explicitly represented. Unlike previous studies that mainly focused on the mountainous regions, in this study the offline WRF-Hydro model is employed to study the impact of lateral flow on soil moisture and energy fluxes over the relatively flat southern Great Plains (SGP). The vast amount of measurements over the SGP provide an unique opportunity to assess the model behavior. In addition, newly developed land surface properties and input forcing are ingested into the model, in an attempt to reduce uncertainties associated with the initial and boundary forcing and help to identify model deficiencies. Our results show that the more realistic inputs (parameters, soil types, forcing) lead to larger underestimation of latent heat flux and dry bias, indicating the existence of model structural uncertainty (embedded errors) in WRF-Hydro that need to be characterized to inform future model development efforts. Including lateral flow processes partly mitigates the model deficiencies in representing hydrologic processes and alleviates the dry bias. In particular, both surface and subsurface lateral flow increase soil moisture mainly over the lower elevations, except that subsurface flow also affects soil moisture over steeper terrains. Additional simulations are performed to assess the effect of routing resolution on model results. When LSM resolution is high, noticeable differences in soil moisture are produced between different routing resolutions especially over steep terrain. Whereas when LSM resolution is coarse, differences between routing resolutions become negligible, especially over flat terrain.

54 ENVIRONMENTAL SCIENCES↗

Beaver dams overshadow climate extremes in controlling riparian hydrology and water quality

Abstract Hydrologic extremes dominate chemical exports from riparian zones and dictate water quality in major river systems. Yet, changes in land use and ecosystem services alongside growing climate variability are altering hydrologic extremes and their coupled impacts on riverine water quality. In the western U.S., warming temperatures and intensified aridification are increasingly paired with the expanding range of the American beaver—and their dams, which transform hydrologic and biogeochemical cycles in riparian systems. Here, we show that beaver dams overshadow climatic hydrologic extremes in their effects on water residence time and oxygen and nitrogen fluxes in the riparian subsurface. In a mountainous watershed in Colorado, U.S.A., we find that the increase in riparian hydraulic gradients imposed by a beaver dam is 10.7–13.3 times greater than seasonal hydrologic extremes. The massive hydraulic gradient increases hyporheic nitrate removal by 44.2% relative to seasonal extremes alone. A drier, hotter climate in the western U.S. will further expand the range of beavers and magnify their impacts on watershed hydrology and biogeochemistry, illustrating that ecosystem feedbacks to climate change will alter water quality in river systems.

54 ENVIRONMENTAL SCIENCES↗

JAMES BUTTLE REVIEW: Interflow, subsurface stormflow and throughflow: A synthesis of field work and modelling

Interflow, throughflow and subsurface stormflow are interchangeable terms that refer to the lateral subsurface flow above a restricting layer of lower hydraulic conductivity that occurs during and following storm events. Interflow (used here) is a more dominant process in steeper catchments with high infiltration capacity soils overlying a more impermeable soil or geologic layer. Interflow as a runoff process was first recognised in the early 1900s, yet hydrologists still struggle to predict its occurrence, persistence, importance, interaction with other streamflow generation processes, and potential to connect to valleys and streams during and following storms. We review the history of interflow research and address some of the challenges in understanding its role in runoff production. We argue that characterising the controls on interflow initiation and occurrence relies on detailed field observations of subsurface properties, which exist only in limited experimental settings. This data shortcoming contributes to our inability to predict interflow or determine its contribution to streamflow more broadly. There remain many opportunities to advance our understanding of interflow that include both modelling and experimental or observational approaches in hydrology.

hillslope hydrology↗

Model‐Based Interpretation of Solute Exports and Carbon Partitioning During Shale Weathering in a Mountainous Hillslope

The weathering of sedimentary rocks in high-elevation catchments influences freshwater quality and the global carbon cycle. While individual biogeochemical mechanisms involved in this process are relatively well understood, quantifying their contributions to solute export and carbon fluxes under natural, transient conditions remains challenging. Here, we implement a numerical multidimensional and multiphase model to simulate coupled hydrological and biogeochemical processes in a shale-underlain, snow-dominated hillslope in the Rocky Mountains, Colorado. The model captures the dynamic interplay between soil respiration, mineral weathering, and climate-driven hydrological forcing, reproducing observed soil CO 2 dynamics, groundwater chemistry, and subsurface flow. Our results reveal that seasonal snowmelt enhances carbonate weathering by promoting the infiltration of CO 2 -rich water to depth, while pyrite oxidation is primarily sensitive to low water saturation that facilitates O 2 diffusion through the regolith. Topography modulates the spatial distribution of shale weathering, as steeper slopes enhance lateral drainage, favoring the delivery of reactants to greater depths. While shale weathering at our site acts as a transient carbon sink, with silicates and carbonates buffering acidity and promoting atmospheric CO 2 consumption (1% of soil-derived CO 2 ), the exported dissolved inorganic carbon is predominantly geogenic (∼73%). Consequently, when accounting for long-term marine carbonate precipitation. The current weathering regime represents a net source of carbon to the atmosphere. The oxidation of pyrite and petrogenic organic carbon together release approximately 0.9 mol·m −2 ·yr −1 of CO 2 . Our findings highlight the role of topography, hydroclimate, and the coupling between acid-base reactions in shaping the carbon balance and the solute exports in mountainous critical zones.

carbon cycling↗

Y-12 Groundwater Protection Program Monitoring Well Inspection and Maintenance Plan

This plan describes the systematic approach for: inspecting the physical condition of monitoring wells at Y-12, determining maintenance needs that extend the life of a well, and identifying those wells that no longer meet acceptable monitoring well design or well construction standards and require plugging and abandonment. The inspection and maintenance of groundwater monitoring wells is one of the primary management strategies of the Y-12 Groundwater Protection Program (GWPP) Management Plan, that is, the “proactive stewardship of the extensive monitoring well network at Y-12" (Consolidated Nuclear Security, L.L.C. [CNS], 2018). Effective stewardship, and a program of routine inspections of the physical condition of each monitoring well, ensures that representative water-quality samples and hydrologic data are obtained from the well network and protects the subsurface environment. In accordance with the Y-12 GWPP Monitoring Optimization Plan (MOP) for Groundwater Monitoring Wells at the Y-12 National Security Complex, Oak Ridge, Tennessee (CNS, 2017), the status designation (active or inactive) for each well determines the scope and extent of well inspections and maintenance activities. This plan, in conjunction with the above document, formalizes the GWPP approach to focus available resources on monitoring wells which provide the most useful data, and for that reason the GWPP inspects and performs maintenance on the wells sampled by the GWPP. This plan applies to groundwater monitoring wells installed at Y-12 and the related waste management facilities located within the three hydrogeologic regimes: (1) the Bear Creek Hydrogeologic Regime (Bear Creek Regime), (2) the Upper East Fork Poplar Creek Hydrogeologic Regime (East Fork Regime), and (3) the Chestnut Ridge Hydrogeologic Regime (Chestnut Ridge Regime). The Bear Creek Regime encompasses the section of Bear Creek Valley (BCV) immediately west of Y-12. The East Fork Regime encompasses most of the Y-12 process, operations, and support facilities in BCV west of Scarboro Road. The Chestnut Ridge Regime is directly south of Y-12 and encompasses a section of Chestnut Ridge that is bounded to the west by a surface drainage feature (Dunaway Branch, located immediately west of Industrial Landfill II) and by Scarboro Road to the east. The GWPP maintains an extensive database of geographic and construction details and related information for the monitoring wells in each hydrogeologic regime in the Updated Subsurface Database for Bear Creek Valley, Chestnut Ridge, and Parts of Bethel Valley on the U.S. DOE Oak Ridge Reservation (CNS, 2019). A detailed description of the hydrogeologic framework at Y-12 can be found in the GWPP Management Plan (CNS, 2018).

54 ENVIRONMENTAL SCIENCES↗

Improving Long-term Monitoring of Contaminated Groundwater at Sites where Attenuation-based Remedies are Deployed

This study presents an effective approach to tackle the challenge of long-term monitoring of contaminated groundwater sites where remediation leaves residual contamination in the subsurface. Traditional long-term monitoring of contaminated groundwater sites focuses on measuring contaminant concentrations and is applicable to sites where contaminant mass is removed or degraded to a level below the regulatory standard. The traditional approach is less effective at sites where risk from metals or radionuclides continues to exist in the subsurface after remedial goals are achieved. We propose a long-term monitoring strategy for this type of waste site that focuses on measuring the hydrological and geochemical parameters that control attenuation or remobilization of contaminants while de-emphasizing contaminant-concentration measurements. Furthermore, we demonstrate how this approach would be more effective than traditional long-term monitoring, using a site in South Carolina, USA, where groundwater is contaminated by several radionuclides. A comprehensive enhanced attenuation remedy has been implemented at the site to minimize discharge of contamination to surface water. The immobilization of contaminants occurs in three locations by manipulation of hydrological and geochemical parameters, as well as by natural attenuation processes. Deployment of our proposed long-term monitoring strategy will combine subsurface and surface measurements using spectroscopic tools, geophysical tools, and sensors to monitor the parameters controlling contaminant attenuation. The advantage of this approach is that it will detect the potential for contaminant remobilization from engineered and natural attenuation zones, allowing potential adverse changes to be mitigated before contaminant attenuation is reversed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Validation of the Community Land Model Version 5 over the Contiguous United States (CONUS) using in-situ and remote sensing datasets

The Community Land Model (CLM) is an effective tool to simulate the biophysical and biogeochemical processes and their interactions with the atmosphere. Although CLM Version 5 (CLM5) constitutes various updates in these processes, its performance in simulating energy, water and carbon cycles over the Contiguous United States (CONUS) at scales which land surface changes and hydrometeorological and hydroclimatological applications are more locally relevant is yet to be assessed. In this study, we conducted three simulations at 0.125? during 1979-2018 over the CONUS using different configurations of CLM, namely CLM5-biogeochemistry (CLM5BGC), CLM4.5BGC, and CLM5-satellite phenology (CLM5SP). We validated and compared their simulations against multiple remote-sensed and in-situ datasets. Overall, the parametric and structural updates (e.g., carbon cost for nitrogen uptake, variable soil thickness, dry surface layer) in CLM5 improve its ability in capturing terrestrial biogeochemical dynamics. The low evapotranspiration in CLM5BGC is associated with biases in simulating vegetation phenological characteristics rather than soil water limitations. The mismatch between CLM5BGC-simulated peak leaf area index and reference data can be attributed to CLM5BGC's inability in simulating phenology of trees and grasses. The differences between CLM-simulated irrigation and reference estimates can be attributed to differences between processes represented in models and in reality, and uncertainties in input and validation datasets. Evaluation against observations at small catchments suggest that hydrologic parameters needed to be calibrated to improve simulations of runoff, especially subsurface runoff. Additional efforts are needed to incorporate spatially-distributed plant phenology and physiology parameters and regional-specific agricultural management practices (e.g., planting, harvest).

54 ENVIRONMENTAL SCIENCES↗