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DOE OSTI2024

SAIL Storm Boards 2022-2023

“Storm Boards” are simple installations comprised of a horizontal white plastic board that is placed in situ on the surface of the snowpack with a 1 m vertical marker pole for identifying the board center and approximate new snow height. Storm boards allow newly fallen snow to accumulate on them while staying separated from moisture and energy exchange with the snowpack, thus creating a discrete sample of newly fallen snow depth & SWE (snow water equivalent) that can be measured to calculate the net moisture input of individual or multiple storm events to the seasonal snowpack. Samples are measured with a 2” diameter plastic tube that allows the observer to non destructively take a snow core of the newly deposited snow; this core is weighed with a small hand scale - then the mass of the sample is converted to SWE. Depth of the snow sample is obtained with a snow depth probe or from graduated marks on the plastic tube. 3 or more replicate samples are taken for each board measurement and averaged. Total snow height (HS) of the snowpack is measured with a snow depth probe for each site & timepoint to track snowpack accumulation/ablation.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

A non-hierarchical correlation discrete variable representation

The correlation discrete variable representation (CDVR) facilitates (multi-layer) multi-configurational time-dependent Hartree (MCTDH) calculations with general potentials. It employs a layered grid representation to efficiently evaluate all potential matrix elements appearing in the MCTDH equations of motion. The original CDVR approach and its multi-layer extension show a hierarchical structure: the size of the grids employed at the different layers increases when moving from an upper layer to a lower one. In this work, a non-hierarchical CDVR approach, which uses identically structured quadratures at all layers of the MCTDH wavefunction representation, is introduced. Here, the non-hierarchical CDVR approach crucially reduces the number of grid points required, compared to the hierarchical CDVR, shows superior scaling properties, and yields identical results for all three representations showing the same topology. Numerical tests studying the photodissociation of NOCl and the vibrational states of CH 3 demonstrate the accuracy of the non-hierarchical CDVR approach.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Exotic invertible phases with higher-group symmetries

We investigate a family of invertible phases of matter with higher-dimensional exotic excitations in even spacetime dimensions, which includes and generalizes the Kitaev’s chain in 1+1d. The excitation has \mathbb{Z}_2 ℤ 2 higher-form symmetry that mixes with the spacetime Lorentz symmetry to form a higher group spacetime symmetry. We focus on the invertible exotic loop topological phase in 3+1d. This invertible phase is protected by the \mathbb{Z}_2 ℤ 2 one-form symmetry and the time-reversal symmetry, and has surface thermal Hall conductance not realized in conventional time-reversal symmetric ordinary bosonic systems without local fermion particles and the exotic loops. We describe a UV realization of the invertible exotic loop topological order using the SO(3)_- S O ( 3 ) − gauge theory with unit discrete theta parameter, which enjoys the same spacetime two-group symmetry. We discuss several applications including the analogue of ``fermionization’’ for ordinary bosonic theories with \mathbb{Z}_2 ℤ 2 non-anomalous internal higher-form symmetry and time-reversal symmetry.

Hsin, Po-Shen↗

DOE OSTI2024

Utah FORGE: 2024 Discrete Fracture Network Model Data

The Utah FORGE 2024 Discrete Fracture Network (DFN) Model dataset provides a set of files representing discrete fracture network modeling for the FORGE site near Milford, Utah. The dataset includes four distinct DFN model file sets, each corresponding to different time frames and modeling approaches in 2024. These models characterize both natural and induced fractures in the geothermal reservoir, which consists of crystalline granitic and metamorphic rock approximately 8,000 feet below the ground surface. The dataset includes a reference DFN model from February 2024 that incorporates planar fractures and well trajectories, as well as upscaled permeability, porosity, compressibility, and storage values on specified grids. Additionally, there are models based on new microseismic (MEQ) data from May and July 2024, including fracture planes fitted to the latest MEQ catalog datasets, tensile fractures from hydraulic stimulation, and an alternative connected DFN for modeling purposes. Coordinate data is provided in both global and local frames, with detailed instructions on the transformations used to align with principal stress orientations. The dataset also includes notes and calculation files for estimating fracture sizes and differences between various fracture sets. There are subfolders for Global Coordinates and Local Coordinates. To move from the global to the local coordinate frame, fractures and wells were a) rotated 20 degrees counterclockwise looking down about the global point (335376.400482041, 4263189.99998761, 250.093546450195) to better align with the principal stresses; and b) translated by (-335408.68, -4263010.9, 1150). Upscaled permeability values using the _XYZ suffix show directions with respect to the global XYZ coordinate frame, while those using the _IJK suffix are aligned with local coordinate frame.

15 GEOTHERMAL ENERGY↗

DOE OSTI2024

Numerically Testing Conceptual Models of the Utah FORGE Reservoir Using July 2023 Circulation Test Data

Over the past several years, many new data sets have become available regarding the characterization of the Utah FORGE reservoir. These include, but are not limited to, the stimulation of Well 16A, the drilling and completion of Well 16B, and interwell circulation confirmatory testing. As part of the characterization efforts, conceptual models of the reservoir are re-examined as new data become available. As part of the planning for FORGE activities, numerical models are often used to predict the reservoir response to the planned testing. Stochastic methods are often employed to bound uncertainty and allow for evaluation of comprehensive ranges of key reservoir parameters. For the most recent interwell circulation confirmatory testing (July 2023), a priori numerical model predictions did bound the observed behavior (Xinj et al., 2023), but key deviations from expected behavior prompted the FORGE team to reevaluate our conceptual model of the reservoir. In early October 2023, key members of the development, testing, and monitoring teams met for 2 days to review newly collected data and discuss ‘interesting’ or ‘key’ observations. From these discussions, 15 Key Observations were documented, with several significant ones being that the discrete fracture network developed from the 16A stimulation data may not be appropriate and that the early time pressure data obtained during the summer 2023 reservoir testing were best described using radial solutions. In July 2023, two campaigns of interwell confirmatory testing were conducted, the first set of tests occurred on July 4-5 and the second set on July 18-19. The second set of circulation tests conducted at the Utah FORGE site between the injection well 16A(78)-32 and production well 16B(78)-32 on July 18 and 19, 2023 are used to calibrate material properties in a thermal-hydraulic-mechanical (THM) simulation of the discrete fracture network connecting the wells. The spatially and temporally varying reservoir properties are calibrated to match the time dependent pressure and production profiles from the circulation tests. In future work, this calibrated model will be coupled to the native state THM model of the FORGE reservoir to predict surface deformation and strains resulting from pumping schedules.

58 GEOSCIENCES↗

DOE OSTI2024

Numerically Testing Conceptual Models of the Utah FORGE Reservoir Using July 2024 Circulation Test Data

15 GEOTHERMAL ENERGY↗

DOE OSTI2020

Multi-physics modeling of injected nanoparticles effect on remediation of CO 2 leakage through cracks

One potential risk in CO 2 sequestration is the leakage of carbon dioxide, which can result in contamination of underground water, creating potential threats to existing ecosystems. The common leakage pathway is through the pre-existing fractures or discontinuities within cement in the wellbore, incurred by the environmental conditions imposed on the cement. Injecting nanoparticles into pre-existing cracks is one of the most recently proposed ideas for mitigating fracture propagation in cement CO 2 sequestration. To demonstrate the feasibility of this new technology, a numerical approach was taken in this work, as it is challenging to investigate it in a laboratory setting. We proposed a coupled ALE (Arbitrary Lagrangian–Eulerian)–DEM (Discrete Element Method)–peridynamic modeling strategy within the LS-Dyna package to investigate the intertwined interaction among the CO 2 fluid flow, native fluid (e.g., brine), particle clusters, and cracks within the cement. The numerical results demonstrate that injected nanoparticles can effectively reduce the pressure exerted on the crack surface. Accordingly, the potential fracture propagation at the crack tip would be reduced compared to corresponding cases without nanoparticels as pressurized by fluid flow. This result verifies the effectiveness of proposed nanoparticle injection technology. Finally, using this established modeling strategy, the effect of filling particles on the fracture mitigation for different crack geometries (e.g. particle cluster patterns, aspect ratio of crack aperture and length) and CO 2 reservoir pressure are examined. The result shows that injected particles successfully reduce the fracture propagation in these scenarios.

42 ENGINEERING↗

DOE OSTI2024

Inverse aspect-ratio expanded tokamak equilibria

Following Greene et al. [Phys. Fluids 14, 671 (1971)] and Connor et al. [Phys. Plasmas 31, 577 (1988); Plasma Phys. Control. Fusion 34, 161 (1992); and Nucl. Fusion 33, 1533 (1993)], the Grad-Shafranov equation for an axisymmetric tokamak plasma equilibrium is solved via an expansion in the, supposedly small, inverse aspect-ratio of the plasma, ϵ. The displacements of equilibrium magnetic flux-surfaces due to plasma shaping are assumed to be $\mathcal{O}$(ϵ) smaller than the minor radii of the surfaces, but no other restriction is placed on the nature of the shaping. The solution of the Grad-Shafranov equation is matched to a vacuum solution that extends to infinity, and consists of an expansion in toroidal functions. The external poloidal magnetic field generated by a finite set of discrete external poloidal magnetic field-coils is calculated, and incorporated into the toroidal function expansion. In this manner, the shape of a large aspect-ratio tokamak plasma is directly related to the currents flowing in the external poloidal field-coils. Finally, a pedestal in the plasma pressure, and the associated spike in the bootstrap current, are incorporated into the model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Spatially Quasi-Periodic Water Waves of Infinite Depth

Abstract We formulate the two-dimensional gravity-capillary water wave equations in a spatially quasi-periodic setting and present a numerical study of solutions of the initial value problem. We propose a Fourier pseudo-spectral discretization of the equations of motion in which one-dimensional quasi-periodic functions are represented by two-dimensional periodic functions on a torus. We adopt a conformal mapping formulation and employ a quasi-periodic version of the Hilbert transform to determine the normal velocity of the free surface. Two methods of time-stepping the initial value problem are proposed, an explicit Runge–Kutta (ERK) method and an exponential time-differencing (ETD) scheme. The ETD approach makes use of the small-scale decomposition to eliminate stiffness due to surface tension. We perform a convergence study to compare the accuracy and efficiency of the methods on a traveling wave test problem. We also present an example of a periodic wave profile containing vertical tangent lines that is set in motion with a quasi-periodic velocity potential. As time evolves, each wave peak evolves differently, and only some of them overturn. Beyond water waves, we argue that spatial quasi-periodicity is a natural setting to study the dynamics of linear and nonlinear waves, offering a third option to the usual modeling assumption that solutions either evolve on a periodic domain or decay at infinity.

Wilkening, Jon (ORCID:0000000327827596)↗

DOE OSTI2020

Evaluating Implementations of the Immersed Boundary Method in the Weather Research and Forecasting Model

The terrain-following coordinate system used by many atmospheric models can cause numerical instabilities due to discretization errors as resolved terrain slopes increase and the grid becomes highly skewed. The immersed boundary (IB) method, which does not require the grid to conform to the terrain, has been shown to alleviate these errors, and has been used successfully for high-resolution atmospheric simulations over steep terrain, including vertical building surfaces. Since many previous applications of IB methods to atmospheric models have used very fine grid resolution (5 m or less), the present study seeks to evaluate IB method performance over a range of grid resolutions and aspect ratios. Two classes of IB algorithms, velocity reconstruction and shear stress reconstruction, are tested within the common framework of the Weather Research and Forecasting (WRF) Model. Performance is evaluated in two test cases, one with flat terrain and the other with the topography of Askervein Hill, both under neutrally stratified conditions. WRF-IB results are compared to similarity theory, observations, and native WRF results. Despite sensitivity to the location at which the IB intersects the model grid, the velocity reconstruction IB method shows consistent performance when used with a hybrid RANS/LES surface scheme. The shear stress reconstruction IB method is not sensitive to the grid intersection, but is less consistent and near-surface velocity errors can occur at coarse resolutions. This study represents an initial investigation of IB method variability across grid resolutions in WRF. Future work will focus on improving IB method performance at intermediate to coarse resolutions.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Low-order aquifer thermal energy storage model for geothermal system simulation

This paper presents a low-order aquifer thermal energy storage (ATES) model for simulation of combined subsurface and above-surface energy systems. The model is included in the Modelica IBPSA Library, which is a free open-source library with basic models for building and district energy and control systems. The model uses a lumped-component method, in which the transient conductive-convective heat and mass transfer equation is radially discretized. To verify the accuracy of the model, we present an inter-model comparison from a simulation test suite. Results show that the Modelica ATES model is in good agreement, with a normalized mean bias error for yearly variation of aquifer temperatures of 1.6×10−2 and 9×10−5 at 1 m and 10 m distance from the well.

Maccarini, Alessandro↗

DOE OSTI2024

Hanford Double Shell Waste Tank Corrosion Studies (Final Report FY2023)

For fiscal year (FY) 2023, the Savannah River National Laboratory (SRNL) focused on two experimental tasks related to Hanford Double Shell Tank (DST) chemistry and integrity. The first task focused on understanding risk of corrosion due to formation of either continuous layers or discrete patches of solids on the tanks’ inner sidewalls and bottoms. Differences in the conductivity between various layers of the tank (e.g., solids, liquid, etc.) could result in differences in the electrochemical potential of the tank metal at various locations. The electrochemical potential difference may result in a corrosion current between the coupled surfaces. In FY23, SRNL investigated test configurations and protocols that could evaluate the presence of a galvanic couple between the tank bottom and the tank wall.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

Fault Network Geometry Modulates Earthquake Source Spectra Across Scales

Earthquake source spectra provide unique insights into the earthquake rupture process. Motivated by previous research suggesting that complex fault geometries enhance high‐frequency seismic radiation, we study the influence of fault network geometry on earthquake source spectra using multiple independent observations. At regional scales, we examine correlations of stress drop measurements with surface fault trace misalignment in Southern California, Japan, and Central Italy. At a global scale, we examine correlations of moment‐rate function complexity of large earthquakes with focal mechanism variability, a proxy for local fault complexity. Despite significant scatter in the observations, we find overall consistent positive correlations. The concept that elastic interactions of discrete fault structures during the earthquake rupture process generates high‐frequency ground motions offers a coherent framework for interpreting our observations. These findings suggest that variations in fault complexity explain why some earthquakes produce stronger high‐frequency ground motions than others.

Lee, Jaeseok [Brown Univ., Providence, RI (United ↗

DOE OSTI2021

Influences on Subsurface Plutonium and Americium Migration

Plutonium (Pu) has been released to the environment worldwide, including approximately 1.85 × 1015 Bq (200 kg) of Pu from process waste solutions to unconfined soil structures at the Hanford Site in Washington State. The subsurface mobility of Pu is influenced by complex interactions with sediments, groundwater, and any co-contaminants within the waste stream. Previous investigations at Hanford have shown that Pu exists as discrete PuO 2 particles forming before or after disposal, as secondary solid phases formed from waste interactions with sediments as adsorbed/incorporated species, and/or as dissolved species. In this research, new evidence is presented for the existence of PuO 2 , PuO 2 -Bi 2 O 3 composites, and particles from burnt Pu metal in near-surface sediments where Pu-laden acidic process waste was disposed to sediments. Pu and americium (Am) L3 X-ray absorption spectroscopy and density functional theory suggest that, in larger, more crystalline PuO 2 particles, Am formed from radioactive decay is retained in the Pu IV O 2 structure as Am IV . The Pu and Am that were disposed of in an acidic waste stream have since migrated deeper into the subsurface with detection to at least 37 meters below ground surface. In contrast, Pu deposited near the ground surface from neutral pH waste is found to be homogeneously distributed and relatively immobile. Groundwater extractions performed on contaminated sediments indicate that both Pu and Am are recalcitrant, with Am being fractionally less extractable than Pu on a molar basis. These results suggest that the more mobile fraction of Am has migrated from the near-surface and may be present in the deeper sediments as a different phase than Pu. From these results, it is suggested that Pu and Am deposited from acidic wastes were initially mobile and became significantly less mobile as wastes were neutralized within the soil profile.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2024

Multi‐Material Gradient Printing Using Meniscus‐enabled Projection Stereolithography (MAPS)

Light‐based additive manufacturing methods are widely used to print high‐resolution 3D structures for applications in tissue engineering, soft robotics, photonics, and microfluidics, among others. Despite this progress, multi‐material printing with these methods remains challenging due to constraints associated with hardware modifications, control systems, cross‐contamination, waste, and resin properties. Here, a new printing platform coined Meniscus‐enabled Projection Stereolithography (MAPS) is reported, a vat‐free method that relies on generating and maintaining a resin meniscus between a crosslinked structure and bottom window to print lateral, vertical, discrete, or gradient multi‐material 3D structures with no waste and user‐defined mixing between layers. MAPS is compatible with a wide range of resins shown and can print complex multi‐material 3D structures without requiring specialized hardware, software, or complex washing protocols. MAPS's ability to print structures with microscale variations in mechanical stiffness, opacity, surface energy, cell densities, and magnetic properties provides a generic method to make advanced materials for a broad range of applications.

bioprinting↗

DOE OSTI2020

Simulation of mineral dissolution at the pore scale with evolving fluid-solid interfaces: review of approaches and benchmark problem set

This manuscript presents a benchmark problem for the simulation of single-phase flow, reactive transport, and solid geometry evolution at the pore scale. The problem is organized in three parts that focus on specific aspects: flow and reactive transport (part I), dissolution-driven geometry evolution in two dimensions (part II), and an experimental validation of three-dimensional dissolution-driven geometry evolution (part III). Five codes are used to obtain the solution to this benchmark problem, including Chombo-Crunch, OpenFOAM-DBS, a lattice Boltzman code, Vortex, and dissolFoam. These codes cover a good portion of the wide range of approaches typically employed for solving pore-scale problems in the literature, including discretization methods, characterization of the fluid-solid interfaces, and methods to move these interfaces as a result of fluid-solid reactions. A short review of these approaches is given in relation to selected published studies. Results from the simulations performed by the five codes show remarkable agreement both quantitatively--based on upscaled parameters such as surface area, solid volume, and effective reaction rate--and qualitatively--based on comparisons of shape evolution. This outcome is especially notable given the disparity of approaches used by the codes. Therefore, these results establish a strong benchmark for the validation and testing of pore-scale codes developed for the simulation of flow and reactive transport with evolving geometries. They also underscore the significant advances seen in the last decade in tools and approaches for simulating this type of problem.

58 GEOSCIENCES↗

DOE OSTI2020

Measurement of flow properties coupled to experimental and numerical analyses of dense, granular flows for solar thermal energy storage

Granular flows of sintered bauxite proppants were researched along an inclined plane for solar thermal energy storage applications. Granular flow properties needed to drive numeric granular models were measured for improved numerical model predictions for Carbobead CP 50/140, 40/100, and 30/60 particles. Particle shape and size distributions were determined by coupling optical microscopy to an in-house image processing algorithm. The impulse excitation technique was used to measure elastic and shear moduli, and compute Poisson’s ratio. The coefficient of static sliding friction was measured using the slip-stick method, and the static rolling friction was determined from measured shear on particles positioned between two hot-pressed plates. The coefficient of restitution was measured by dropping particles on a surface and determining the kinetic energy before and after impact with the surface using high resolution particle tracking velocimetry. Particle size did not significantly impact the coefficients of restitution and static rolling friction, however, particle shape distribution resulted in a large variation in measurements. An inclined flow experiment was performed to characterize granular flows of Carbobead CP 30/60 particles using particle image velocimetry. Numerical models of the experiment using discrete element method were generated with the measured mechanical properties as inputs for comparison with experimental results. A constant directional torque rolling friction model best predicted bulk granular flow behavior. Furthermore, good agreement between the model and experiment was achieved at ambient, steady state conditions, with average velocity differences <10%.

14 SOLAR ENERGY↗

DOE OSTI2021

Hanford Double Shell Waste Tank Corrosion Studies FY2020 (Final Report)

For fiscal year (FY) 2020, the Savannah River National Laboratory (SRNL) focused on three experimental tasks related to Hanford Double Shell Tank (DST) chemistry and integrity. The first task focused on understanding risk of corrosion due to formation of either continuous layers or discrete patches of deposits on the tanks’ inner sidewalls and bottoms. The second task studied vapor space corrosion (VSC) of the secondary liner using two commercially available vapor corrosion inhibitors (VCIs) at manufacturer recommended dosages. Finally, the third task investigated the long-term open circuit potential (OCP) drift for mill-scale coupons, coupons with polished surfaces, and partial mill-scale coupons that were exposed to tank waste simulants. Additional tests were performed to evaluate the OCP drift as a function of the quantity and composition of organic compounds added to the simulant. A test that was included in the matrix that established the new chemistry limits for tank corrosion, but was previously unreported, was presented and reviewed as well.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗