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DOE OSTI2016

Heat Transfer Model of a Small-Scale Waste Glass Melter with Cold Cap Layer

At the Hanford site in the state of Washington, more than 56 million gallons of radioactive waste is stored in underground tanks. The cleanup plan for this waste is vitrification at the Waste Treatment Plant (WTP), currently under construction. At the WTP, the waste will be blended with glass-forming materials and heated to 1423K, then poured into stainless steel canisters to cool and solidify. A fundamental understanding of the glass batch melting process is needed to optimize the process to reduce cost and decrease the life cycle of the cleanup effort. The cold cap layer that floats on the surface of the glass melt is the primary reaction zone for the feed-to-glass conversion. The conversion reactions include water release, melting of salts, evolution of batch gases, dissolution of quartz and the formation of molten glass. Obtaining efficient heat transfer to this region is crucial to achieving high rates of glass conversion. Computational fluid dynamics (CFD) modeling is being used to understand the heat transfer dynamics of the system and provide insight to optimize the process. A CFD model was developed to simulate the DM1200, a pilot-scale melter that has been extensively tested by the Vitreous State Laboratory (VSL). Electrodes are built into the melter to provide Joule heating to the molten glass. To promote heat transfer from the molten glass into the reactive cold cap layer, bubbling of the molten glass is used to stimulate forced convection within the melt pool. A three-phase volume of fluid approach is utilized to model the system, wherein the molten glass and cold cap regions are modeled as separate liquid phases, and the bubbling gas and plenum regions are modeled as one lumped gas phase. The modeling of the entire system with a volume of fluid model allows for the prescription of physical properties on a per-phase basis. The molten glass phase and the gas phase physical properties are obtained from previous experimental work. Finding representative properties for the cold cap region is more difficult, as this region is not a true liquid, but rather a multilayer region consisting of a porous and a foamy layer. Physical properties affecting heat transfer, namely the thermal conductivity and heat capacity, have been fit to closely match data and observations from laboratory experiments. Data from xray tomography and quenching of laboratory-scale cold caps provide insight into the topology of bubble distribution within the cold cap at various temperatures. Heat transfer within the melter was validated by comparison with VSL data for the pilot-scale melter.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS2014

The Goddard Cumulus Ensemble Model (GCE): Improvements and Applications for Studying Precipitation Processes

Convection is the primary transport process in the Earth's atmosphere. About two-thirds of the Earth's rainfall and severe floods derive from convection. In addition, two-thirds of the global rain falls in the tropics, while the associated latent heat release accounts for three-fourths of the total heat energy for the Earth's atmosphere. Cloud-resolving models (CRMs) have been used to improve our understanding of cloud and precipitation processes and phenomena from micro-scale to cloud-scale and mesoscale as well as their interactions with radiation and surface processes. CRMs use sophisticated and realistic representations of cloud microphysical processes and can reasonably well resolve the time evolution, structure, and life cycles of clouds and cloud systems. CRMs also allow for explicit interaction between clouds, outgoing longwave (cooling) and incoming solar (heating) radiation, and ocean and land surface processes. Observations are required to initialize CRMs and to validate their results. The Goddard Cumulus Ensemble model (GCE) has been developed and improved at NASA/Goddard Space Flight Center over the past three decades. It is amulti-dimensional non-hydrostatic CRM that can simulate clouds and cloud systems in different environments. Early improvements and testing were presented in Tao and Simpson (1993) and Tao et al. (2003a). A review on the application of the GCE to the understanding of precipitation processes can be found in Simpson and Tao (1993) and Tao (2003). In this paper, recent model improvements (microphysics, radiation and land surface processes) are described along with their impact and performance on cloud and precipitation events in different geographic locations via comparisons with observations. In addition, recent advanced applications of the GCE are presented that include understanding the physical processes responsible for diurnal variation, examining the impact of aerosols (cloud condensation nuclei or CCN and ice nuclei or IN) on precipitation processes, utilizing a satellite simulator to improve the microphysics, providing better simulations for satellite-derived latent heating retrieval, and coupling with a general circulation model to improve the representation of precipitation processes.

GCE↗

DOE OSTI2018

A thermal-mechanical finite element workflow for directed energy deposition additive manufacturing process modeling

This work proposes a finite element (FE) analysis workflow to simulate directed energy deposition (DED) additive manufacturing at a macroscopic length scale (i.e. part length scale) and to predict thermal conditions during manufacturing, as well as distortions, strength and residual stresses at the completion of manufacturing. The proposed analysis method incorporates a multi-step FE workflow to elucidate the thermal and mechanical responses in laser engineered net shaping (LENS) manufacturing. For each time step, a thermal element activation scheme captures the material deposition process. Then, activated elements and their associated geometry are analyzed first thermally for heat flow due to radiation, convection, and conduction, and then mechanically for the resulting stresses, displacements, and material property evolution. Finally, simulations agree with experimentally measured in situ thermal measurements for simple cylindrical build geometries, as well as general trends of local hardness distribution and plastic strain accumulation (represented by relative distribution of geometrically necessary dislocations).

42 ENGINEERING↗

DOE OSTI2024

Assessing the sensitivity of aerosol mass budget and effective radiative forcing to horizontal grid spacing in E3SMv1 using a regional refinement approach

Abstract. Atmospheric aerosols have important impacts on air quality and the Earth–atmospheric energy balance. However, as computing power is limited, Earth system models generally use coarse spatial grids and parameterize finer-scale atmospheric processes. These parameterizations and the simulation of atmospheric aerosols are often sensitive to model horizontal resolutions. Understanding the sensitivities is necessary for the development of Earth system models at higher resolutions with the deployment of more powerful supercomputers. Using the Energy Exascale Earth System Model (E3SM) version 1, this study investigates the impact of horizontal grid spacing on the simulated aerosol mass budget, aerosol–cloud interactions, and the effective radiative forcing of anthropogenic aerosols (ERFaer) over the contiguous United States. We examine the resolution sensitivity by comparing the nudged simulation results for 2016 from the low-resolution model (LR) and the regional refinement model (RRM). As expected, the simulated emissions of natural dust, sea salt, and marine organic matter are substantially higher in the RRM than in the LR. In addition, RRM simulates stronger aqueous-phase production of sulfate through the enhanced oxidation of sulfur dioxide by hydrogen peroxide due to increased cloud liquid water content. In contrast, the gas-phase chemical production of sulfate is slightly suppressed. The RRM resolves more large-scale precipitation and produces less convective precipitation than the LR, leading to increased (decreased) aerosol wet scavenging by large-scale (convective) precipitation. Regarding aerosol effects on clouds, RRM produces larger temporal variabilities in the large-scale liquid cloud fractions than LR, resulting in increased microphysical cloud processing of aerosols (more interstitial aerosols are converted to cloud-borne aerosols via aerosol activation) in RRM. Water vapor condensation is also enhanced in RRM compared to LR. Consequently, the RRM simulation produces more cloud droplets, a larger cloud droplet radius, a higher liquid water path, and a larger cloud optical depth than the LR simulation. A comparison of the present-day and pre-industrial simulations indicates that, for this contiguous United States domain, the higher-resolution increases ERFaer at the top of the model by about 12 %, which is mainly attributed to the strengthened indirect effect associated with aerosol–cloud interactions.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Comparing Measured Driver Behavior Distributions to Results from Car-Following Models using SUMO and Real-World Vehicle Trajectories from Radar: SUMO Default vs. Radar-Measured CF model Parameters

In this study, the physical principles governing car-following (CF) behavior and their impact on traffic flow at signalized intersections are investigated. High temporal-resolution radar data is used to provide valuable insights into actual CF behavior, including acceleration, deceleration, and time headway distribution. Demand-calibrated SUMO simulations are run using empirical CF parameter distributions, and three CF models are evaluated: IDM, EIDM, and Krauss. By emulating radar data in SUMO and processing simulated vehicle traces, discrepancies between empirical and simulated parameter distributions are identified. Further analysis includes comparisons with default SUMO CF model parameters. The findings reveal that measured accelerations differ from CF model parameter accelerations and using the empirical value ($\mu = 0.89m/s^2$) leads to unrealistic simulations that fail volume-based calibration. Default parameters for all three models reasonably approximate the mean and median of measured parameters, but fail to capture the true distribution shape, partly due to homogeneity when using default parameters. The results show that it is more effective to simulate with the default parameters provided by SUMO rather than using measurements of real-world distributions without additional calibration. Future work will investigate closing the loop between the measured real-world and SUMO distributions using traditional calibration tactics, as well as assess the impact of calibrated vs. default CF parameters on simulation outputs like fuel consumption.

Schrader, Max (ORCID:0000000336737672)↗

DOE OSTI2024

Integrated modeling framework (FVCOM-ICM/Toxi) to simulate the fate and transport of polychlorinated biphenyls in urban estuaries–Case study for Puget Sound, WA

Puget Sound is an urban estuary that exhibits persistent polychlorinated biphenyls (PCBs) contamination despite years of remediation efforts. For robust management actions, determining the timing, location, and magnitude of PCB loading sources and transport pathways using field data alone is challenging due to complex water circulation and biogeochemical processes. Here, this study aims to develop an integrated modeling framework that couples complex estuarian circulation with biogeochemical processes and associated interactions with PCB kinetics. The model simulates PCB accumulation in the lower tropic food web, demonstrating PCB intrusion into primary producers and its biomagnification in pelagic consumers. The PCB data from a new field survey was used to calibrate/validate the new PCB modeling framework for Puget Sound. The software program of the modeling framework is available to the user community for the applications of toxic contaminants transport in marine waters.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Modeling heat transport processes in enhanced geothermal systems: Validation study from EGS Collab Experiment 1

Heat recovery from enhanced geothermal systems (EGS) is a complex process involving heat transport in both fracture networks and rock formations. A comprehensive understanding of and the ability to model the underlying heat transport mechanisms is important for the success of EGS but remains challenging in practice due to the generally insufficient characterization of EGS reservoirs. In the present study, we analyze an extensively monitored intermediate-scale EGS field experiment performed in a well-characterized testbed. The high-resolution, high-quality measurements from the field experiment enable the development of a high-fidelity model incorporating a well-constrained fracture network. Based on the field experiment, we investigate the complex heat transport processes in an EGS-relevant environment and validate the capability of a numerical approach in simulating these inherently coupled heat transport processes. A series of numerical simulations were performed to study the effects of different heat transport mechanisms, including thermal convection with fracture flow, thermal conduction in rock formations, and the Joule-Thomson effect. The agreement of thermal responses between field measurements and simulation results indicates that our numerical approach can appropriately model the heat transport processes pertaining to heat recovery from EGS reservoirs.

Wu, Hui↗

NASA NTRS2012

Auto Code Generation for Simulink-Based Attitude Determination Control System

This paper details the work done to auto generate C code from a Simulink-Based Attitude Determination Control System (ADCS) to be used in target platforms. NASA Marshall Engineers have developed an ADCS Simulink simulation to be used as a component for the flight software of a satellite. This generated code can be used for carrying out Hardware in the loop testing of components for a satellite in a convenient manner with easily tunable parameters. Due to the nature of the embedded hardware components such as microcontrollers, this simulation code cannot be used directly, as it is, on the target platform and must first be converted into C code; this process is known as auto code generation. In order to generate C code from this simulation; it must be modified to follow specific standards set in place by the auto code generation process. Some of these modifications include changing certain simulation models into their atomic representations which can bring new complications into the simulation. The execution order of these models can change based on these modifications. Great care must be taken in order to maintain a working simulation that can also be used for auto code generation. After modifying the ADCS simulation for the auto code generation process, it is shown that the difference between the output data of the former and that of the latter is between acceptable bounds. Thus, it can be said that the process is a success since all the output requirements are met. Based on these results, it can be argued that this generated C code can be effectively used by any desired platform as long as it follows the specific memory requirements established in the Simulink Model.

MolinaFraticelli, Jose Carlos↗

DOE OSTI2015

DYNAMO EFFECTS NEAR THE TRANSITION FROM SOLAR TO ANTI-SOLAR DIFFERENTIAL ROTATION

Numerical MHD simulations play an increasingly important role for understanding the mechanisms of stellar magnetism. We present simulations of convection and dynamos in density-stratified rotating spherical fluid shells. We employ a new 3D simulation code for obtaining the solution of a physically consistent anelastic model of the process with a minimum number of parameters. The reported dynamo simulations extend into a “buoyancy-dominated” regime where the buoyancy forcing is dominant while the Coriolis force is no longer balanced by pressure gradients, and strong anti-solar differential rotation develops as a result. We find that the self-generated magnetic fields, despite being relatively weak, are able to reverse the direction of differential rotation from anti-solar to solar-like. We also find that convection flows in this regime are significantly stronger in the polar regions than in the equatorial region, leading to non-oscillatory dipole-dominated dynamo solutions, and to a concentration of magnetic field in the polar regions. We observe that convection has a different morphology in the inner and the outer part of the convection zone simultaneously such that organized geostrophic convection columns are hidden below a near-surface layer of well-mixed highly chaotic convection. While we focus our attention on the buoyancy-dominated regime, we also demonstrate that conical differential rotation profiles and persistent regular dynamo oscillations can be obtained in the parameter space of the rotation-dominated regime even within this minimal model.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2021

Simulation of Landing and Take-Off Noise for Supersonic Transport Aircraft at a Conceptual Design Fidelity Level

The German Aerospace Center has launched an internal project to assess the noise impact associated with supersonic transport aircraft during approach and departure. A dedicated simulation process is established to cover all relevant disciplines, i.e., aircraft and engine design, engine installation effects, flight simulation, and system noise prediction. The core of the simulation process is comprised of methods at the complexity and fidelity level of conceptual aircraft design, i.e., typical overall aircraft design methods and a semi-empirical approach for the noise modeling. Dedicated interfaces allow to process data from high fidelity simulation that will support or even replace initial low fidelity results in the long run. All of the results shown and discussed in this study are limited to the fidelity level of conceptual design. The application of the simulation process to the NASA 55t Supersonic Technology Concept Aeroplane, i.e., based on non-proprietary data for this vehicle, yields similar noise level predictions when compared to the published NASA results. This is used as an initial feasibility check of the new process and confirms the underlying methods and models. Such an initial verification of the process is understood as an essential step due to the lack of available noise data for supersonic transport aircraft in general. The advantageous effect of engine noise shielding on the resulting system noise is demonstrated based on predicted level time histories and certification noise levels. After this initial verification, the process is applied to evaluate a conceptual supersonic transport design based on a PhD thesis with two engines mounted under the wing, which is referred to as aircraft TWO. Full access to this vehicle’s design and performance data allows to investigate the influence of flight procedures on the resulting noise impact along approach and departure. These noise results are then assembled according to proposed Federal Aviation Agency regulations in their Notice of Proposed Rulemaking, e.g., speed limitations, for Supersonic transport noise certification and the regulations from Noise Chapters of the Annex 16 from the International Civil Aviation Organization in order to evaluate the resulting levels as a function of the flight procedure.

noise↗

DOE OSTI2026

Root Dynamics Mitigate Warm and Dry Biases over the Central United States

The central United States frequently exhibits warm and dry biases in simulations of summertime conditions, a persistent feature that remains unresolved. While previous studies linked these biases to misrepresented surface energy exchanges, the role of belowground processes remains poorly understood. Here, we demonstrate that inadequate representation of root water uptake in land surface models contributes to this bias. Using both offline Noah-MP and coupled WRF-Noah-MP simulations with static and dynamic root water uptake schemes, we show that the inclusion of dynamic root processes reduces 2-m air temperature biases and enhances precipitation, primarily by increasing the rain rate of convective systems. Offline and coupled simulations further reveal that the cooling effects and precipitation increases are amplified through positive land-atmosphere feedback, active only in the coupled model. These findings highlight an important role of root in modulating land-atmosphere interactions and underscore the need to refine root-zone processes to improve regional atmospheric simulations.

Yang, Zhao (ORCID:0000000288027130)↗

NASA NTRS2011

A Model Study of the Impact of Source Gas Changes on the Stratosphere for 1850-2100

The long term stratospheric impacts due to emissions of CO2, CH4, N2O, and ozone depleting substances (ODSs) are investigated using an updated version of the Goddard two-dimensional (2D) model. Perturbation simulations with the ODSs, CO2, CH4, and N2O varied individually are performed to isolate the relative roles of these gases in driving stratospheric changes over the 1850-2100 time period. We also show comparisons with observations and the God- 40 dard Earth Observing System chemistry-climate model simulations for the time period 1970-2100 to illustrate that the 2D model captures the basic processes responsible for longterm stratospheric change. The 2D simulations indicate that prior to 1940, the 45 ozone increases due to CO2 and CH4 loading outpace the ozone losses due to increasing N2O and carbon tetrachloride (CCl4) emissions, so that ozone reaches a broad maximum during the 1920s-1930s. This preceeds the significant ozone depletion during approx. 1960-2050 driven by the ODS loading. During the latter half of the 21st century as ODS emissions diminish, CO2, N2O, and CH4 loading will all have significant impacts on global total ozone based on the IPCC AIB (medium) scenario, with CO2 having the largest individual effect. Sensitivity tests illustrate that due to the strong chemical interaction between methane and chlorine, the CH4 impact on total ozone becomes significantly more positive with larger ODS loading. The model simulations also show that changes in stratospheric temperature, Brewer-Dobson circulation (BDC), and age of air during 1850-2100 are controlled mainly by the CO2 and ODS loading. The simulated acceleration of the BDC causes the age of air to decrease by approx. 1 year from 1860-2100. The corresponding photochemical lifetimes of N2O, CFCl3, CF2Cl2, and CCl4 decrease by 11-13% during 1960-2100 due to the acceleration of the BDC, with much smaller lifetime changes 4%) caused by changes in the photochemical loss rates.

Fleming, E. L.↗

DOE OSTI2023

Grounding our Understanding of the Impacts of Boreal Forest Expansion on Shallow Cumulus Clouds with a Simple Modeling Framework

Abstract The expansion of the boreal forest poleward is a potentially important driver of feedbacks between the land surface and Arctic climate. A growing body of work has highlighted the importance of differences in evaporative resistance between different possible future Arctic land covers, which in turn alters humidity and cloudiness in the boundary layer, for these feedbacks. While thus far this problem has been studied primarily with complex Earth system models, we turn to a locally focused, idealized model capable of diagnosing and testing the sensitivity of first-order processes connecting vegetation, the atmospheric boundary layer, and low clouds in this critical region. This allows us to benchmark the mechanisms and results at the center of predictions from larger-scale simulations. A surface dominated by broadleaf trees, characterized by higher albedo and lower surface evaporative resistance, drives cooling and moistening of the boundary layer relative to a surface of needleleaf trees, characterized by lower albedo and higher surface evaporative resistance. Differences in evaporative resistance between these hypothetical Arctic vegetation covers are of equal importance to changes in albedo for the initial response of the boundary layer to boreal expansion, even with our idealized approach. However, compensation between the elevation of the lifting condensation level (LCL) and more rapid growth of the mixed layer over higher evaporative resistance surfaces can minimize changes in the favorability of shallow clouds over different land cover types under some conditions. We then perform two tests on the sensitivity of this compensating effect, to changes in water availability, represented first by a reduction in boundary layer humidity and then by both a reduction in humidity and soil moisture available to our vegetation surface. Finally, given the importance of this potential LCL–mixed-layer height compensation in our idealized modeling results, we look to determine its relevance in observational data from a field campaign in boreal Finland. These observations do confirm that such a coupling plays an important role in cumulus-topped boundary layers over a needleleaf forest surface. While our results confirm some underlying mechanisms at the center of prior work with Earth system models, they also provide motivation for future work to constrain the impact of boreal forest expansion. This will include both large eddy simulations to examine the impact of processes and feedbacks not resolved by a mixed-layer model, as well as a more systematic evaluation and comparison of relevant observations at the site in Finland and sites from prior boreal field campaigns. Significance Statement Clouds and vegetation are both important components of the climate system that interact across a range of scales. These interactions are central to understanding how changes at the land surface feedback on climate. For example, if a forest expands or recedes, diagnosing how that will impact clouds will determine whether you predict warming or cooling temperatures from that shift in the forest area. These predictions are often made with complex Earth system models, but we look to a more idealized representation of the land–atmosphere system to diagnose how shallow clouds should respond to changes in surface properties with different scenarios of boreal forest expansion at a more foundational level. This both grounds our understanding of previous analysis and provides helpful direction for future studies of this relevant and impactful land cover change.

Meteorology & Atmospheric Sciences↗

NASA NTRSDate not supplied

Modeling Self-Pressurization and Spray Bar Pressure Control of a Cryogenic Storage Tank in Normal Gravity

This paper presents Computational Fluid Dynamics (CFD) models for simulating self-pressurization and spray bar cooling processes in a large-scale liquid hydrogen storage tank under normal gravity. The self-pressurization model utilizes the kinetics-based Schrage equation with the Volume-Of-Fluid (VOF) model to account for the evaporative and condensing interfacial mass fluxes. It uses a laminar approach to model natural convection and compares the pressures and temperatures predicted by the CFD model with experimental data from the Multipurpose Hydrogen Test Bed (MHTB) self-pressurization experiment. Additionally, the predicted interfacial mass flux is presented. A CFD model for simulating pressure control using a spray bar is also presented. An Eulerian-Lagrangian approach models the interactions between the discrete droplets and the continuous ullage phase. The spray model is coupled with the VOF model by tracking particles in the ullage, removing particles from the ullage when they reach the interface, and then adding their contributions to the liquid. The T-sat model is used to calculate the droplet-ullage heat and mass transfer. In this model, droplets warm up to the saturation temperature corresponding to the ullage vapor pressure thereafter evaporating while remaining at the saturation temperature. The tank pressure, vapor, and liquid temperature evolutions are validated against data from the MHTB spray bar mixing experiment.

Self-Pressurization↗

NASA NTRS1993

Simulation of the early startup period of high-temperature heat pipes from the frozen state by a rarefied vapor self-diffusion model

The heat pipe startup process is described physically and is divided into five periods for convenience of analysis. The literature survey revealed that none of the previous attempts to simulate the heat pipe startup process numerically were successful, since the rarefied vapor flow in the heat pipe was not considered. Therefore, a rarefied vapor self-diffusion model is proposed, and the early startup periods, in which the rarefied vapor flow is dominant within the heat pipe, are first simulated numerically. The numerical results show that large vapor density gradients existed along the heat pipe length, and the vapor flow reaches supersonic velocities when the density is extremely low. The numerical results are compared with the experimental data of the early startup period with good agreement.

Cao, Y.↗

NASA NTRS2024

Modeling Evolvable Water Recovery Systems for Short and Long-Duration Missions in Partial Gravity

Water recovery technologies on the International Space Station (ISS) are designed and optimized for microgravity environments, thus creating a need for innovative systems optimized for mission operations in the presence of gravity. Alternative water recovery technologies under research by the Life Support Systems division were compiled into a series of Partial Gravity Water Recovery System (PGWRS) architectures. Individual unit processes were modeled via fundamental physical-chemical process equations to simulate their method of treatment, including chemical or biological oxidation, flash evaporation, filtration, or adsorption and ion exchange. Dimension and sizing data were then utilized to scale each architecture. Modeling was completed on an assortment of architectures assuming three scenarios in which treatment methods could take advantage of partial gravity: a short-duration mission with a temporary surface habitat, a longer duration mission with a more permanent habitat, and a long duration mission with minimal resupply. Total system mass was estimated to quantitatively compare architectures within scenarios, but qualitative observations were also made regarding system robustness, flexibility, and capacity to meet more stringent demands. Technologies that traded most favorably between the scenarios were those that included a pre-oxidation stage to minimize mass loading to downstream absorption and ion exchange beds, exploited gravity in liquid-vapor separation processes, and reconstituted wastewater components into recyclable material streams.

Avery L. Carlson↗

NASA NTRSDate not supplied

Modeling Evolvable Water Recovery Systems for Short and Long-Duration Missions in Partial Gravity

Avery Carlson↗

DOE OSTI2021

Evaluation of extreme sub-daily precipitation in high-resolution global climate model simulations

We examine the resolution dependence of errors in extreme sub-daily precipitation in available high-resolution climate models. We find that simulated extreme precipitation increases as horizontal resolution increases but that appropriately constructed model skill metrics do not significantly change. We find little evidence that simulated extreme winter or summer storm processes significantly improve with the resolution because the model performance changes identified are consistent with expectations from scale dependence arguments alone. We also discuss the implications of these scale-dependent limitations on the interpretation of simulated extreme precipitation.

54 ENVIRONMENTAL SCIENCES↗