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At least 1,585 records · Page 88

Differential Regulation of Maize and Sorghum Orthologs in Response to the Fungal Pathogen Exserohilum turcicum

Pathogens that infect more than one host offer an opportunity to study how resistance mechanisms have evolved across different species. Exserohilum turcicum infects both maize and sorghum and the isolates are host-specific, offering a unique system to examine both compatible and incompatible interactions. We conducted transcriptional analysis of maize and sorghum in response to maize-specific and sorghum-specific E. turcicum isolates and identified functionally related co-expressed modules. Maize had a more robust transcriptional response than sorghum. E. turcicum responsive genes were enriched in core orthologs in both crops, but only up to 16% of core orthologs showed conserved expression patterns. Most changes in gene expression for the core orthologs, including hub genes, were lineage specific, suggesting a role for regulatory divergent evolution. We identified several defense-related shared differentially expressed (DE) orthologs with conserved expression patterns between the two crops, suggesting a role for parallel evolution of those genes in both crops. Many of the differentially expressed genes (DEGs) during the incompatible interaction were related to quantitative disease resistance (QDR). This work offers insights into how different hosts with relatively recent divergence interact with a common pathogen. Our results are important for developing resistance to this critical pathogen and understanding the evolution of host-pathogen interactions.

54 ENVIRONMENTAL SCIENCES↗

Integrating Marine Hydrokinetic and Offshore Wind Energy: A Review of Technologies, Deployment, and Challenges

Together, offshore wind (OSW) and marine hydrokinetic (MHK) technologies have vast potential to expand the world’s access to abundant energy resource. With more than 60 GW of offshore wind energy capacity and 527 MW of ocean energy deployed globally by 2023, there is a significant amount of available resources; however, technical and non-technical challenges prevent the combined large-scale deployment of these technologies. There is still a lack of research that provides a parallel review of both MHK and OSW technologies in order to better understand their synergistic working principles. This paper aimed to address that research gap by presenting a comprehensive side-by-side review of the worldwide technological landscape, global deployment trends, integration strategies, and modeling approaches for MHK and OSW. A particular focus has been given on analyzing existing modeling and simulation techniques, assessing integration and control strategies, and comparing technologies based on water depth. Furthermore, this study provides important insights into the readiness levels of both technologies by highlighting ongoing international projects. By addressing these issues, this review will give researchers and industry stakeholders an outline for assessing the maturity of OSW and MHK systems and facilitating their transition to large-scale, sustainable deployment.

16 - TIDAL AND WAVE POWER↗

Effects of wave damping and finite perpendicular scale on three-dimensional Alfvén wave parametric decay in low-beta plasmas

Shear Alfvén wave parametric decay instability (PDI) provides a potential path toward significant wave dissipation and plasma heating. However, fundamental questions regarding how PDI is excited in a realistic three-dimensional (3D) open system and how the finite perpendicular wave scale—as found in both laboratory and space plasmas—affects the excitation remain poorly understood. Here, we present the first 3D, open-boundary, hybrid kinetic-fluid simulations of kinetic Alfvén wave PDI in low-beta plasmas. Key findings are that the PDI excitation is strongly limited by the wave damping present, including electron–ion collisional damping (represented by a constant resistivity) and geometrical attenuation associated with the finite-scale Alfvén wave, and ion Landau damping of the child acoustic wave. The perpendicular wave scale alone, however, plays no discernible role: waves of different perpendicular scales exhibit similar instability excitation as long as the magnitude of the parallel ponderomotive force remains unchanged. These findings are corroborated by theoretical analysis and estimates. This new understanding of 3D kinetic Alfvén wave PDI physics is essential for laboratory study of the basic plasma process and may also aid future evaluation of the relevance/role of PDI in low-beta space plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Backpropagation-based learning with local derivative approximation and memory replay in biologically plausible neural systems

When learning, the brain modifies individual synaptic connections to reach a desired behavior. Animal and human brains have been shown to be incredibly capable of learning complex and varied functions across a wide variety of tasks. In recent years, artificial neural networks, inspired by human and animal brains, have shown great capabilities in learning a wide variety of difficult tasks. However, artificial neural networks primarily teach themselves through the use of backpropagation, a learning method which has no clear analogue within the brain. Additionally, Artificial Neural Networks primarily use continuous activation functions, which differ significantly from the spiking neuronal behavior present in the brain. In this paper, we discuss and demonstrate a biologically plausible learning method that approximates backpropagation through two techniques on Spiking Neural Networks. First, we show that the local temporal derivatives that are necessary for backpropagation can be approximately recovered through reconstruction using spike timings. Second, we show that through learning during a sleep phase, inspired by neuroscience research into memory replay, the localized parallel feedback path can learn to approximate the derivative through the forward path weight matrix, thus solving the weight transport problem. Lastly, we demonstrate that the combination of these two methods can approach or exceed the accuracy of backpropagation-based methods for a variety of neuromorphic vision tasks while maintaining biological plausibility.

42 ENGINEERING↗

A Feynman-Kac based numerical method for the exit time probability of a class of transport problems

The exit time probability, which gives the likelihood that an initial condition leaves a prescribed region of the phase space of a dynamical system at, or before, a given time, is arguably one of the most natural and important transport problems. In this work, we present an accurate and efficient numerical method for computing this probability for systems described by non-autonomous (time-dependent) stochastic differential equations (SDEs) or their equivalent Fokker-Planck partial differential equations. The method is based on the direct approximation of the Feynman-Kac formula that establishes a link between the adjoint Fokker-Planck equation and the forward SDE. The Feynman-Kac formula is approximated using the Gauss-Hermite quadrature rules and piecewise cubic Hermite interpolating polynomials, and a GPU accelerated matrix representation is used to compute the entire time evolution of the exit time probability using a single pass of the algorithm. The method is unconditionally stable, exhibits second order convergence in space, first order convergence in time, and it is straightforward to parallelize. Applications are presented to the advection diffusion of a passive tracer in a fluid flow exhibiting chaotic advection, and to the runaway acceleration of electrons in a plasma in the presence of an electric field, collisions, and radiation damping. Benchmarks against analytical solutions as well as comparisons with explicit and implicit finite difference standard methods for the adjoint Fokker-Planck equation are presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Multiscale aperture synthesis imager

Synthetic aperture imaging has enabled breakthrough observations from radar to astronomy. However, optical implementation remains challenging due to stringent wavefield synchronization requirements among multiple receivers. Here we present the multiscale aperture synthesis imager (MASI), which utilizes parallelism to break complex optical challenges into tractable sub-problems. MASI employs a distributed array of coded sensors that operate independently yet coherently to surpass the diffraction limit of single receiver. It combines the propagated wavefields from individual sensors through a computational phase synchronization scheme, eliminating the need for overlapping measurement regions to establish phase coherence. Light diffraction in MASI naturally expands the imaging field, generating phase-contrast visualizations that are substantially larger than sensor dimensions. Without using lenses, MASI resolves sub-micron features at ultralong working distances and reconstructs 3D shapes over centimeter-scale fields. MASI transforms the intractable optical synchronization problem into a computational one, enabling practical deployment of scalable synthetic aperture systems at optical wavelengths.

electrical and electronic engineering↗

Interplay between charge ordering and geometric ferroelectricity in LuFe 2 O 4 /LuFeO 3 superlattices

Oxide superlattices have drawn great attentions owing to the intriguing coupling among elastic, electrical, and magnetic orderings at the interfaces and the emerging of improper ferroelectricity. Here, superlattices composed of hexagonal LuFeO 3 (h-LuFeO 3 ) and LuFe 2 O 4 are investigated via density functional theory calculations. h-LuFeO 3 is a well-known multiferroic material that is stable only in thin-film or doped bulk state, while LuFe 2 O 4 is a charge ordered material where the existence of ferroelectricity is still in controversy. We have found that the charge ordering (CO) induced polarizations in LuFe 2 O 4 layers coexist with the geometric polarizations in h-LuFeO 3 layers in the (LuFe 2 O 4 ) m /(LuFeO 3 ) n superlattices with different periodicities, and the ferroelectric states are generally preferred over the antiferroelectric states for LuFe 2 O 4 in superlattices. The out-of-plane polarizations in h-LuFeO 3 and LuFe 2 O 4 layers tend to be aligned in parallel, and the overall polarization increases with the ratio of h-LuFeO 3 . The influence of layered polarizations on the local electrostatic potential is not significant except the detected small trend caused by the CO-induced polarization within a FeO bilayer. Besides, the local electronic structures show that the Fermi level position in a certain layer can be tuned by the valences of Fe in this layer and the polarization distributions in neighboring layers. LuFe 2 O 4 layers sandwiched between thick h-LuFeO 3 layers are more susceptible. The calculated configurations of the superlattices are supported by atomic-resolution transmission electron microscopy experiments. Our results pave a way for tunable ferroelectricity in superlattice systems and create a new playground for manipulating the coupling between various degrees of freedom.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Soil and Water Chemistry and Trace Metal Extractability and Speciation in Wetland Soils from Illinois and South Carolina and Stream Sediments from Tennessee

Dataset revised on October 15, 2021. This revision adds sulfur and iron X-ray absorption near-edge structure spectra for the wetland soils and stream sediments from the field areas. It also renames the sample locations in a way that is more intuitive to readers of the companion paper that is under review. Finally, the data filenames and organization have been updated in their labeling to parallel the data sources in the associated paper. The abstract text and methods were also revised to reflect the data that was added to the dataset.Trace metals are essential for microbially-mediated biogeochemical processes occurring in anoxic wetland soils and stream bed sediments, such as denitrification, methanogenesis, and mercury methylation. Low availability of these elements may potentially inhibit key components of anaerobic carbon and nitrogen cycling and contaminant transformation. The solid-phase speciation of trace metals likely plays an important role in controlling their bioavailability. Metal speciation is well studied in contaminated soils and sediments as well as those naturally elevated in trace metals. However, less is known regarding the chemical forms of trace metals in systems having concentrations similar to geological background levels, the very settings where metal limitations may be most prevalent. We have investigated trace metal concentrations, extractability, and solid-phase speciation in three freshwater subsurface aquatic systems: marsh wetland soils, riparian wetland soils, and the sediments of a streambed.Data are provided for marsh wetland soils at Argonne National Laboratory, riparian wetland soils in the Tims Branch watershed at Savannah River National Laboratory, and stream bed sediments from East Fork Poplar Creek near Oak Ridge National Laboratory. Soil and sediment elemental abundances, mineralogy, and extractable nutrients as well as dissolved major elements, anions, trace metals, and nutrients in the overlying surface waters are provided. In addition, the results of sequential chemical extraction for the trace metals cobalt, nickel, copper, and zinc from the soils and sediment are reported as well as X-ray absorption near-edge structure (XANES) spectra in these materials are reported. To aid interpretation of these data, XANES spectra of sulfur in the soils and sediments as well as both XANES and extended X-ray absorption fine structure (EXAFS) spectra of iron in these materials are reported. The data package also includes the XANES spectra of reference standards and a potential interferent in the measurements. All data are provided in text-based CSV format with header sections indicating the data contained in each file and the corresponding units. Note that "u" is used in place of Greek lower case mu to indicate the micro prefix on units.

54 ENVIRONMENTAL SCIENCES↗

Advanced Algal Biofoundries for the Production of Polyurethane Precursors

The primary goal of the BEEPs project was to develop a process that could accelerate the development of algae as bioproduction platforms, from initial chemical product concept to an economically viable market supply. Under this program we elected to develop strains of algae that could generate polyurethane precursors, while simultaneously developing basic genetic tools to enable improved algal production systems. This program was specifically designed to incorporate National Laboratories as a means to utilize the expertise and facilities for new bio-production platforms. To that end, we designed a program to collaborate with the Agile BioFoundry at Lawrence Berkeley National Laboratory (LBNL) and computational platforms at Pacific Northwest National Laboratory (PNNL). In addition to these National Laboratory partners, we also had academic partners from UC Davis and Georgia Tech, as well as commercial partners Algenesis Materials and BASF. To achieve these goals, we initially focused on developing the genetic tools and high throughput screening technologies necessary to generate and assess production of polymer precursors (succinic acid) in algae and cyanobacteria, including advanced promoters and biosensors. In parallel, we computationally identified potential production bottlenecks and then used the developed genetic tools to increase production rates and yields. Constant feedback of data was used in conjunction with machine learning, high-throughput cell sorting, and synthetic biology, for additional targeted metabolic engineering. Multiple rounds of tool design, building, testing, and learning were supplied to partners at PNNL and LBNL to develop new models and tools that could expedite bioproduction platform development and increase yield performance. We targeted, and achieved, the FOA requirement yield metric of 20 g/L, as a milestone and deliverable from at least one of our engineered strains for the production of succinic acid.

09 BIOMASS FUELS↗

Effect of magneto-mechanical synergism in the process-structure correlation in Fe–C alloys: A phase-field modeling approach

Applied magnetic fields can alter phase equilibria and kinetics in steels; however, quantitatively resolving how magnetic, chemical, and elastic driving forces jointly influence the microstructure remains challenging. We develop a quantitative magneto-mechanically coupled phase-field model for the Fe–C system that couples a CALPHAD-based chemical free energy with demagnetization-field magnetostatics and microelasticity. Here, the model reproduces single- and multi-particle evolution during the α → γ inverse transformation at 1023 K under external fields up to 20 T, including ellipsoidal morphologies observed experimentally at 8 T. Chemically driven growth is isotropic; a magnetic interaction introduces an anisotropic driving force that elongates γ precipitates along the field into ellipsoids, while elastic coherency promotes faceting, yielding elongated cuboidal or “brick-like” particles under combined magneto-elastic coupling. Growth kinetics increase with C content, and decrease with field strength and misfit strain. Multi-particle simulations reveal dipolar interaction-mediated coalescence for field-parallel neighbors and ripening for field-perpendicular neighbors. Incorporating field-dependent diffusivity from experiment slows kinetics as expected; a first-principles-motivated anisotropic diffusivity correction is estimated to be small (<2%). These results establish a process-structure link for magnetically assisted heat treatments of Fe–C alloys and provide guidance for microstructure control via chemo-magneto-mechanical synergism.

Magnetic field↗

Fast and Accurate Core Analysis by the Full-Immersion Pressure-Pulse Decay: Part 2—Practice and Demonstration

Summary This study continues the work of presenting a novel approach for making petrophysical assessments of tight core samples. This method, the full-immersion pressure-pulse decay (Hannon 2019), involves applying a rapid increase in pressure in a chamber surrounding the entire outer surface area of a cylindrical sample, shutting the system in, and monitoring the pressure decay in the chamber as it reaches a new equilibrium. A precursor article covered the numerical simulator designed to model flow through the sample, demonstrating its performance and accuracy in addition to providing a first-order comparison between the speed and shape of the pressure-decay responses of the full-immersion method with those of other similar transient methods. This study covers the parameter-estimation procedure and experimental verification through a proof-of-concept laboratory investigation. The investigations provided here demonstrate that under appropriate, achievable experimental conditions, the pressure data can be analyzed in such a way that returns an estimate of the porosity and apparent permeabilities both parallel and perpendicular to bedding from a single test performed on a single cylindrical sample. After determining these experimental conditions (the uniqueness window), this report outlines a data-inversion strategy to estimate the petrophysical properties (porosity, horizontal permeability, and vertical permeability) from each test. This strategy is put to the test through comparisons with measurements performed by a commercial core laboratory. A common set of samples recovered from an outcrop of a tight-gas sandstone formation were investigated using the full-immersion method, and their results are compared with those from conventional steady-state measurement procedures performed by the commercial laboratory. Comparisons between petrophysical characterizations of these samples, which had permeabilities between 25 nd and 2.3 μd, demonstrated close agreement in most cases. However, whereas steady-state measurements performed at the professional laboratory required 4 to 5 hours of testing time per measurement of a single permeability, similar assessments using the full-immersion technique, requiring approximately 5 to 10 minutes to complete, returned estimates of the horizontal and vertical permeability simultaneously. Additional analyses are provided to determine principal reasons of discrepancies in instances where agreement was not as strong. Based on lessons learned from these experiences, the report closes with suggestions on areas of improvement in the experimental approach. Once complete, these developments should propel this technology to fill a critical need to determine petrophysical properties (porosity and permeability) of tight rocks in a time-efficient manner and in a way that does not compromise their accuracy.

Energy & Fuels↗

Acoustophoretic Additive Manufacturing for Scalable 3D Battery Electrodes

This project focused on investigating two acoustic-based processing methods: a nozzle-based printhead and a chamber that map to two different battery electrode architectures: (1) a line-pattern electrode and (2) a grid-pattern electrode. These two parallel manufacturing and electrode geometry explorations were proposed for the project to understand the process space of acoustic-based manufacturing methods to fabricate patterned battery electrodes. This two-path exploration also allowed us to de-risk the overall project and not rely on a single process for creating patterned electrodes. This project consisted of six high-level tasks aimed at transitioning the concept of acoustic focusing for battery electrodes from a technology readiness level (TRL) of 1 to 3 by project conclusion. Overall, we believe we have developed a practical and high-impact processing method that is chemistry agnostic and suitable for large-area fabrication of both 3D LIBs and other functional material systems where structuring on the scale of tens of microns has the potential to break conventional bulk material trade-offs in performance. In the case of batteries for electric vehicles, structuring 3D LIBs with our acoustic process breaks traditional energy and power trade-offs observed with conventional flat battery packs.

25 ENERGY STORAGE↗

From Feast to Famine: A Systematic Study of Accretion onto Oblique Pulsars with 3D GRMHD Simulations

Disk-fed accretion onto neutron stars can power a wide range of astrophysical sources ranging from X-ray binaries, to accretion-powered millisecond pulsars, ultraluminous X-ray sources, and gamma-ray bursts. A crucial parameter controlling the gas–magnetosphere interaction is the strength of the stellar dipole. In addition, coherent X-ray pulsations in many neutron star systems indicate that the star's dipole moment is oblique relative to its rotation axis. Therefore, it is critical to systematically explore the 2D parameter space of the star's magnetic field strength and obliquity, which is what this work does, for the first time, in the framework of 3D general-relativistic magnetohydrodynamics. If the accretion disk carries its own vertical magnetic field, this introduces an additional factor: the relative polarity of the disk and stellar magnetic fields. We find that depending on the strength of the stellar dipole and the star–disk relative polarity, the neutron star's jet power can either increase or decrease with increasing obliquity. For weak dipole strength (equivalently, high accretion rate), the parallel polarity results in a positive correlation between jet power and obliquity, whereas the antiparallel orientation displays the opposite trend. For stronger dipoles, the relative-polarity effect disappears, and jet power always decreases with increasing obliquity. The influence of the relative polarity gradually disappears as obliquity increases. Highly oblique pulsars tend to have an increased magnetospheric radius, a lower mass accretion rate, and enter the propeller regime at lower magnetic moments than aligned stars.

79 ASTRONOMY AND ASTROPHYSICS↗

Unraveling the 2021 Central Tennessee flood event using a hierarchical multi-model inundation modeling framework

Flood prediction systems need hierarchical atmospheric, hydrologic, and hydraulic models to predict rainfall, runoff, streamflow, and floodplain inundation. The accuracy of such systems depends on the error propagation through the modeling chain, sensitivity to input data, and choice of models. In this study, we used multiple precipitation forcings (hindcast and forecast) to drive hydrologic and hydrodynamic models to analyze the impacts of various drivers on the estimates of flood inundation depth and extent. We implement this framework to unravel the August 2021 extreme flooding event that occurred in Central Tennessee, USA. We used two radar-based quantitative precipitation estimates (STAGE4 and MRMS) as well as quantitative precipitation forecasts (QPF) from the National Weather Service Weather Prediction Center (WPC) to drive a series of models in the hierarchical framework, including the Variable Infiltration Capacity (VIC) land surface model, the Routing Application for Parallel Computation of Discharge (RAPID) river routing model, and the AutoRoute and TRITON inundation models. An evaluation with observed high-water marks demonstrates that the framework can reasonably simulate flood inundation. Despite the complex error propagation mechanism of the modeling chain, we show that inundation estimates are most sensitive to rainfall estimates. Most notably, QPF significantly underestimates flood magnitudes and inundations leading to unanticipated severe flooding for all stakeholders involved in the event. Finally, we discuss the implications of the hydrodynamic modeling framework for real-time flood forecasting.

54 ENVIRONMENTAL SCIENCES↗

Implementing Arbitrary/Common Concurrent Writes of CRCW PRAM

The Parallel Random Access Machines (PRAM) abstraction is the simplest and most elegant algorithmic model for the design and analysis of parallel algorithms. It consists of different models categorized based on the underlying memory access mode used, the most powerful of which is the Concurrent Read Concurrent Write (CRCW) model. A PRAM algorithm describes a series of rounds, each of which consists of a collection of operations that can be executed concurrently within the same time step. However, the lack of support for concurrent memory accesses and the prevalence of asynchronous programming models led to the belief that implementing CRCW PRAM algorithms is unattainable and prompted many to avoid this model except for theoretical studies of optimal performance.In this work, we study the arbitrary and common concurrent writes in the CRCW PRAM model and explore implementation challenges on general-purpose systems. Moreover, we examine current practices for implementing common/arbitrary concurrent writes and propose a new efficient lightweight and thread-safe method to implement concurrent writes through leveraging atomic instructions. To demonstrate the efficacy of our method, we developed OpenMP kernels for classical CRCW PRAM algorithms and provide experimental results and comparisons based on run time performance measured over the x86 multicore architecture. Our results show a performance speedup compared to current practices up to 4.5x across all our benchmarks.

Ghanim, Fady↗

Phase Field Dislocation Dynamics (PFDD) version 2.x

This disclosure is for version 2.x of a mesoscale model called Phase Field Dislocation Dynamics (PFDD). PFDD is used for investigating deformation in nanoscale (grain sizes of ~300 nm and less) materials, such as metals and alloys. This approach models the motion and interaction of individual defects, namely dislocations, in the material using scalar-valued phase field variables, also called order parameters. The system is evolved through energy minimization thus the model calculates the total energy density in terms of the phase field variables. The energy minimization is completed using the Ginzburg-Landau equation, and is implemented with explicit time integration. The total system energy can be comprised of several terms, including the strain energy (which describes dislocation-dislocation interactions), the energy due to an applied stress (dislocation interactions with the applied stress), and a core/lattice (perfect dislocations) or generalized stacking fault (partial dislocations) energy (described the dislocation core structure). The latter term in particular may vary based on the crystal structure being modeled and is typically informed using lower length scale (e.g., atomistic) approaches, although no such (atomistic) calculations are completed within the PFDD algorithm. This basic formulation was previously reviewed by Los Alamos National Laboratory and released under license number C17113. This previously reviewed version we will henceforth refer to as PFDD v1.0. PFDD v1.0 consisted of 2 codes (one parallel and one serial) plus input files, all written in the C language. This new disclosure is addressing the next versions of the PFDD, versions 2.x. There have been several enhancements of PFDD v1.0, which are described here and included in the attached code, which we will refer to as PFDD v2.0. There are also several new features described here that are either planned or already in process and are expected to be subsequent releases, i.e., v2.1, v2.2, ...v2.x.

Hunter, Abigail↗

High-order multirate explicit time-stepping schemes for the baroclinic-barotropic split dynamics in primitive equations

In order to treat the multiple time scales of ocean dynamics in an efficient manner, the baroclinic-barotropic splitting technique has been widely used for solving the primitive equations for ocean modeling. Based on the framework of strong stability-preserving Runge-Kutta approach, we propose two high-order multirate explicit time-stepping schemes (SSPRK2-SE and SSPRK3-SE) for the resulting split system in this paper. The proposed schemes allow for a large time step to be used for the three-dimensional baroclinic (slow) mode and a small time step for the two-dimensional barotropic (fast) mode, in which each of the two mode solves just need to satisfy their respective CFL conditions for numerical stability. Specifically, at each time step, the baroclinic velocity is first computed by advancing the baroclinic mode and fluid thickness of the system with the large time-step and the assistance of some intermediate approximations of the barotropicmode obtained by substepping with the small time step; then the barotropic velocity is corrected by using the small time step to re-advance the barotropic mode un-der an improved barotropic forcing produced by interpolation of the forcing terms from the preceding baroclinic mode solves; lastly, the fluid thickness is updated by coupling the baroclinic and barotropic velocities. Additionally, numerical inconsistencies on the discretized sea surface height caused by the mode splitting are relieved via a reconciliation process with carefully calculated flux deficits. Here, two benchmark tests from the “MPAS-Ocean” platform are carried out to numerically demonstrate the performance and parallel scalability of the proposed SSPRK-SE schemes.

54 ENVIRONMENTAL SCIENCES↗

ParFlow Sand Tank: A tool for groundwater exploration

The ParFlow Sand Tank model is an open source application designed to allow users to interactively simulate and visualize groundwater movement through the subsurface. The app is designed for both research and education; teaching hydrogeology concepts and making it easy explore and run sophisticated groundwater simulations. Our goal is to support increased accessibility and usability of research grade hydrology tools for research and teaching. The Sand Tank application simulates groundwater and surface water fluxes as well as contaminant transport in real time using the integrated physical hydrology model ParFlow (Kollet & Maxwell, 2006; Maxwell & Miller, 2005; Osei-Kuffuor et al., 2014) and the particle tracking code EcoSlim (Maxwell et al., 2019). ParFlow is a numerical hydrology model that simulates spatially distributed groundwater and surface water flow. It is a well established research tool with more than 90 publications documenting its development use to advance our understanding of groundwater dynamics and groundwater surface water interactions from the hillslope to the continental scale e.g. (Condon et al., 2020; Condon & Maxwell, 2019; Maxwell & Condon, 2016). It is designed for efficient parallel computation and has been run on many platforms spanning from laptops to supercomputers. However, one of the challenges of ParFlow is that it requires significant training and hydrologic expertise to develop simulations. The Sand Tank application makes this model accessible to anyone for education and exploration. Our application uses ParFlow for its simulation backend and ParaView for the data loading and processing. The communication infrastructure relies on the ParaViewWeb framework. We use model templates deployed in Docker images to setup the Sand Tank framework. Users can build the application locally or interact with it through our web deployment. When interacting with a template users can interactively change model parameters like subsurface processes or pump/inject water into the subsurface and watch the system respond to their changes in real time as the simulation runs. Additionally, our template setup will allow more advanced users to build custom templates of increasing complexity for both research and educational purposes.

54 ENVIRONMENTAL SCIENCES↗