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DOE OSTI2024

Early experiences on the OLCF Frontier system with AthenaPK and Parthenon–Hydro

The Oak Ridge Leadership Computing Facility (OLCF) has been preparing the nation's first exascale system, Frontier, for production and end users. Frontier is based on HPE Cray's new EX architecture and Slingshot interconnect and features 74 cabinets of optimized 3rd Gen AMD EPYC CPUs for HPC and AI and AMD Instinct 250X accelerators. As a part of this preparation, “real-world” user codes have been selected to help assess the functionality, performance, and usability of the system. This article describes early experiences using the system in collaboration with the Hamburg Observatory for two selected codes, which have since been adopted in the OLCF test harness. Experiences discussed include efforts to resolve performance variability and per-cycle slowdowns. Results are shown for a performance portable astrophysical magnetohydronamics code, AthenaPK, and a mini-application stressing the core functionality of a performance portable block-structured adaptive mesh refinement framework, Parthenon-Hydro. Here, these results show good scaling characteristics to the full system. At the largest scale, the Parthenon-Hydro miniapp reaches a total of $1.7$ $\times$ $10^{13}$ zone-cycles/s on 9216 nodes (73,728 logical GPUs) at ≈92% weak scaling parallel efficiency (starting from a single node using a second-order, finite-volume method).

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Multistage robust optimization for the day-ahead scheduling of hybrid thermal-hydro-wind-solar systems

The integration of large-scale uncertain and uncontrollable wind and solar power generation has brought new challenges to the operations of modern power systems. In a power system with abundant water resources, hydroelectric generation with high operational flexibility is a powerful tool to promote a higher penetration of wind and solar power generation. In this paper, we study the day-ahead scheduling of a thermal-hydro-wind-solar power system. The uncertainties of renewable energy generation, including uncertain natural water inflow and wind/solar power output, are taken into consideration. We explore how the operational flexibility of hydroelectric generation and the coordination of thermal-hydro power can be utilized to hedge against uncertain wind/solar power under a multistage robust optimization (MRO) framework. To address the computational issue, mixed decision rules are employed to reformulate the original MRO model with a multi-level structure into a bi-level one. Column-and-constraint generation (C &CG) algorithm is extended into the MRO case to solve the bi-level model. The proposed optimization approach is tested in three real-world cases. Furthermore, the computational results demonstrate the capability of hydroelectric generation to promote the accommodation of uncertain wind and solar power.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2023

Efficient and selective dual-pathway polyolefin hydro-conversion over unexpectedly bifunctional M/TiO 2 -anatase catalysts

The huge scale of plastic waste generation and its environmental consequences drive the demands for catalytic plastic upcycling processes. Here, we report efficient polypropylene (PP) hydro-conversion over Ru and Ni supported on a sol-gel anatase TiO 2 (TiO 2 -A-SG). A small number of Brønsted acid sites on TiO 2 -A-SG enables hydrocracking, improving efficiency, steering the selectivity towards high-valued C 4-20 , and allowing more isomerization, compared to Ru-based monofunctional hydrogenolysis catalysts. The relative contribution of hydrocracking increases with lower hydrogen partial pressure, more branched substrates, and lower Ru loading. Ni/TiO 2 -A-SG exhibits superior hydrocracking activity and selectivity to Ni on conventional Brønsted-acidic supports, particularly zeolites. Further, mechanistic studies shows fast isomerization and sequential ß-scissions caused by strong polymer-catalyst interaction and fast cracking with abundant 3 C. This favors C 4-12 formation and prevents secondary reactions. This work demonstrated a novel, highly efficient noble-metal-free catalyst for plastic waste upcycling, while advancing the mechanistic understanding of polyolefin hydro-conversion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Coupled hydro-thermal flow and radionuclide transport driven by spatial variation of heat-generating radioactive wastes in shale formations

Deep geologic disposal of multiple nuclear waste packages with various heat sources can induce nonuniform hydro-thermal behaviors in the near-field of the repository, consequently influencing the long-term radionuclide transport in the far-field once waste form breach initiates. Here, this study looks into three cases with variation in the spatial order of six groups of heat sources (10th, 50th, 75th, 90th, 95th, and 99th percentiles of heat outputs generated from 1,981 as-loaded dual-purpose canisters in the field site) in a shale-hosted repository with respect to the uni-directional groundwater flow (from west to east): (1) cooler waste packages from west to east, (2) hotter waste packages from west to east, and (3) hottest waste packages in the middle of the repository. Our field-scale PFLOTRAN simulation represents heat-driven multiphysics coupled mechanisms, including multiphase flow, heat transfer, and chemical/radioactive transport, and also, calculates the onset of waste form breach based on temperature-dependent canister vitality. The results from this sensitivity study will quantify the short- (less than 1 × 10 3 years) and long-term (up to 1 × 10 6 years) impacts of sporadic heat pulses from waste package on the spatio-temporal perturbation in hydro-thermal flow quantities and the rate of radionuclide transport in both near- and far-field of the repository system.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Thermo-Hydro-Chemical Simulation of Mid-Ocean Ridge Hydrothermal Systems: Static 2D Models and Effects of Paleo-Seawater Chemistry

Decades of research have resulted in characterization of the ocean floor manifestations of mid-ocean ridge (MOR) hydrothermal systems, yet numerical models accounting for the connections between heat transfer, hydrology and geochemistry have been slow to develop. The Thermo-hydro-chemical code ToughReact can be used to describe the coupled effects of fluid flow, heat transfer, and fluid-rock chemical interactions that occur in MOR systems. We describe the results of 2-dimensional simulations of steady state flow in fractured diabase with mineral-fluid chemical reactions. Basal heating and specified permeability yield maximum temperature of 400°C. Total fluid flux and high fracture flow velocities are in accord with observations. Fluid chemistry, mineralogical changes and 87 Sr/ 86 Sr ratios can be compared to observations to assess and calibrate models. Simulated high temperature fracture fluids have Mg and SO 4 near zero, elevated Ca and 87 Sr/ 86 Sr of about 0.7040. Total alteration is 10%–50% for simple models of spreading. Anhydrite forms mainly near the base of the upwelling zone and results in substantial local fracture porosity reduction. A calibrated model is used to predict how Sr isotopes and other features of altered oceanic crust would be different in the Cretaceous (95 Ma) early Proterozoic (1,800 Ma) and Archean (3,800 Ma), when seawater may have had high Ca and Sr concentrations, lower pH, higher temperature, and lower Na, Mg, and SO 4 . The simulations are offered as a start on what ultimately may require a longer-term community effort to better understand the role of MOR thermo-hydro-chemical systems in Earth evolution.

58 GEOSCIENCES↗

DOE OSTI2024

Integrating a Water Tracer Model Into WRF‐Hydro for Characterizing the Effect of Lateral Flow in Hydrologic Simulations

Abstract Most current land models approximate terrestrial hydrological processes as one‐dimensional vertical flow, neglecting lateral water movement from ridges to valleys. Such lateral flow is fundamental at catchment scales and becomes crucial for finer‐scale land models. To test the effect of incorporating lateral flow toward three‐dimensional representations of hydrological processes in the next generation land models, we integrate a water tracer model into the WRF‐Hydro framework to track water movement from precipitation to discharge and evapotranspiration. This hydrologic‐tracer integrated system allows us to identify the key mechanisms by which lateral flow affects the flow paths and transit times in WRF‐Hydro. By comparing modeling experiments with and without lateral routing in two contrasting catchments, we determine the impacts of lateral flow on the transit times of precipitation event‐water. Results show that with limited hydrologic connectivity, lateral flow extends the transit times by reducing (increasing) event‐water drainage loss (accumulation) in ridges (valleys) and allowing reinfiltration of infiltration‐excess flow, which is missing in most land models. On the contrary with high hydrologic connectivity, lateral flow can effectively accelerate the water release to streams and reduce the transit time. However, the transit times are substantially underestimated by the model compared with isotope‐derived estimates, indicating model limitations in representing flow paths and transit times. This study provides some insights on the fundamental differences in terrestrial hydrology simulated by land models with and without lateral flow representation.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Stochastic hydrodynamics and hydro-kinetics: Similarities and differences

The hydro-kinetic formalism has been used as a complementary approach to solving the Stochastic Differential Equations (SDE) corresponding to noisy hydrodynamics. The hydro-kinetic formalism consists of a deterministic set of relaxation type equations that tracks the evolution of 2-point correlation functions of stochastic hydrodynamic quantities. Hence they are comparatively easier to solve than the SDEs, which are computationally intensive and need to deal with arbitrarily large gradients. This work compares the two approaches for the propagation and diffusion of conserved charge fluctuations in the Bjorken hydrodynamic model. For white noise, the two approaches agree. For colored Catteneo noise, which is causal, the two approaches diverge. This is because white noise only induces two-point correlations, while Catteneo noise also induces higher-order correlations. Furthermore, this difference is quantified from the effects of causal evolution and influence from higher-order correlations induced by the Catteneo noise.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Paired Hydro-Battery Hybrid System Operations Using MIQP Based Multi-Objective Optimization

Hybridizing a hydropower plant with a battery energy storage system is often a very expensive decision. So to make the case for feasibility of hybridization the cost benefit analysis must be comprehensive. Most literature found on this subject only uses one out of many different available value streams to carry out a feasibility analysis. To that end, in this study we propose a multi-objective optimization formulation and a mixed-integer quadratic programming optimization engine that considers multiple different value streams and optimizes hydro-battery hybrid system paired operations to maximize revenue generated from energy arbitrage while simultaneously minimizing the total hydro turbine mileage thus reducing turbine starts and stops and improving turbines life all while following all environmental constraints and not violating any limitations either regulatory or preferential (i.e., to support recreational activities like white water rafting, etc.). In this study we also implemented the developed optimization methodology to a real-world case study of Bagnell dam hydropower facility (8 units totaling 240 MW rated power capacity) which is owned and operated by our industry partner Ameren Energy Inc. The case study outcomes shows that by hybridizing the Bagnell dam hydropower facility with a 60 MW x 2-hr battery energy storage system, the annual benefits can be increased over \$6 million while reducing the annual mileage averaged per turbine and number of start/stops by over 98\% and 85\% respectively.

Chalishazar, Vishvas H.↗

DOE OSTI2021

Power Generation and Oxygen Transfer Analyses for Micro Hydro-Turbine Installed in Wastewater Treatment Aeration Tank

This study targets one of the major energy consumers in the U.S. It suggests a new mechanical system that can recover a portion of the energy in Wastewater Treatment Plants (WWTPs). The proposed system entails a hydro-turbine installed above the air diffuser in the aeration tank to extract the water-bubble current’s kinetic energy and converts it to electricity. Observing the optimum location of the turbine required multiple experiments where turbine height varies between 35% and 95% (water height percentages above the diffuser), while varying the airflow between 1.42 L/s (3 CFM) and 2.12 L/s (4.5 CFM) with a 0.24 L/s (0.5 CFM) increment. Additionally, three water heights of 38.1 cm (15*), 53.4 cm (21*), and 68.6 cm (27*) were considered to study the influence of the water height. It was noticed that the presence of the system has an adverse effect on the standard oxygen transfer efficiency (SOTE). Therefore, a small dual-blade propeller was installed right above the diffuser to directly mix the water in the bottom of the tank with the incoming air to enhance the SOTE. The results showed that the maximum reclaimed power was obtained where the hydro-turbine is installed at 65–80% above the diffuser. A reduction of up to 7.32% in SOTE was observed when the setup was placed inside the tank compared to the tank alone. The addition of the dual-blade propeller showed an increase in SOTE of 7.27% with a power loss of 6.21%, ensuring the aeration process was at its standards.

Energy & Fuels↗

DOE OSTI2024

NPD Hydro

This tool, the Non-Powered Dam Hydropower Development and Ranking Opportunity Tool (NPD HYDRO), allows users to prioritize or rank NPD sites for future development based on user-defined priorities. Benefits can be evaluated in several categories: the grid, community, industry, and environment (represented by the GCIE impact scores in the tool. In addition, the tool provides the user with a qualitative measure for the feasibility of adding energy storage during NPD conversion, specifically battery, hydrogen electrolysis, and pumped-storage hydropower (PSH). By taking a holistic approach to the potential range of benefits provided by NPD conversions with results tailored to the user’s priorities, NPD HYDRO provides the opportunity for national-level screening and enables users to focus on the sites that are most closely aligned with their interests.

Woodruff, Nathan↗

DOE OSTI2025

Prediction and Analysis of Utah FORGE Injection Activities using a Coupled Thermo-hydro-mechanical and Earthquake (THM+E) Modeling Workflow

A coupled thermo-hydro-mechanical (THM) numerical workflow that is capable of modeling seismic slip is critical for the successful development of enhanced geothermal systems (EGS). By integrating key physical processes, this workflow enables accurate simulation of temperature and pressure diffusions, stress changes, and induced seismicity. As a result, it serves as a vital tool for predicting induced seismicity and optimizing reservoir stimulation strategies. The Utah FORGE (Frontier Observatory for Research in Geothermal Energy) project, located near Milford, Utah, is a U.S. Department of Energy initiative aimed at advancing EGS technology. In April 2024, eight new stimulation stages (Stages 3R-10) were conducted in well 16A (injection well) subsequent to the first series of stimulation (Stages 1-3) performed in April, 2022. To monitor the induced seismicity, geophones were deployed in wells 58-32, 56-32, and 78B-32, while fiber optic cables were also installed in wells 16B, 78-32, and 78B-32 to collect microseismic data and detect frac hits Preliminary analyses of microseismic catalogs and fiber optic data suggest that the stimulated fractures in Stages 3R–6 closely align with that generated during Stage 3, indicating that the new stimulations were likely reactivating the previously stimulated fracture. To better understand the underlying process, a comprehensive modeling approach that can accurately capture thermal, hydrological, mechanical, and seismic responses is essential. In this work, we propose and utilize a coupled thermo-hydro-mechanical and earthquake (THM+E) simulation workflow to numerically investigate the stimulation activities on well 16A. The specific objective is to confirm whether the new stimulation stages (Stages 3R–6) reactivated fractures previously stimulated during Stage 3. For this purpose, we perform THM+E simulations individually for Stages 3, 3R, 4, and 5, incorporating the discrete fracture networks (DFNs) created by the plane-fitting technique based on the microseismic catalogs. The simulation workflow consists of two separate models: a THM model and an earthquake model, coupled in a one-way manner. Detailed descriptions of the workflow are provided in Section 3. Simulation results are presented in terms of injection pressure, permeability evolution, and predicted seismic catalogs, which are then compared with field data for further analyses. This report is structured as follows. In Section 2, we present detailed analyses of the field data and propose the hypothesis that the new stimulation stages (Stages 3R–6) were probably reactivating the previously stimulated fractures in Stage 3. In Section 3, we introduce the coupled THM+E workflow and the problem setup to validate our hypothesis, followed by the simulation results for each stage in Section 4. Meanwhile, discussions are included to analyze the model predictions and their comparison with field data. Lastly, we conclude the report and outline future plans in Section 5.

15 GEOTHERMAL ENERGY↗

DOE OSTI2023

Quantification of hydraulic trait control on plant hydrodynamics and risk of hydraulic failure within a demographic structured vegetation model in a tropical forest (FATES–HYDRO V1.0)

Abstract. Vegetation plays a key role in the global carbon cycle and thus is an important component within Earth system models (ESMs) that project future climate. Many ESMs are adopting methods to resolve plant size and ecosystem disturbance history, using vegetation demographic models. These models make it feasible to conduct more realistic simulation of processes that control vegetation dynamics. Meanwhile, increasing understanding of the processes governing plant water use, and ecosystem responses to drought in particular, has led to the adoption of dynamic plant water transport (i.e., hydrodynamic) schemes within ESMs. However, the extent to which variations in plant hydraulic traits affect both plant water stress and the risk of mortality in trait-diverse tropical forests is understudied. In this study, we report on a sensitivity analysis of an existing hydrodynamic scheme (HYDRO) model that is updated and incorporated into the Functionally Assembled Terrestrial Ecosystem Simulator (FATES) (FATES–HYDRO V1.0). The size- and canopy-structured representation within FATES is able to simulate how plant size and hydraulic traits affect vegetation dynamics and carbon–water fluxes. To better understand this new model system, and its functionality in tropical forest systems in particular, we conducted a global parameter sensitivity analysis at Barro Colorado Island, Panama. We assembled 942 observations of plant hydraulic traits on 306 tropical plant species for stomata, leaves, stems, and roots and determined the best-fit statistical distribution for each trait, which was used in model parameter sampling to assess the parametric sensitivity. We showed that, for simulated leaf water potential and loss of hydraulic conductivity across different plant organs, the four most important traits were associated with xylem conduit taper (buffers increasing hydraulic resistance with tree height), stomatal sensitivity to leaf water potential, maximum stem hydraulic conductivity, and the partitioning of total hydraulic resistance above vs. belowground. Our analysis of individual ensemble members revealed that trees at a high risk of hydraulic failure and potential tree mortality generally have a lower conduit taper, lower maximum xylem conductivity, lower stomatal sensitivity to leaf water potential, and lower resistance to xylem embolism for stem and transporting roots. We expect that our results will provide guidance on future modeling studies using plant hydrodynamic models to predict the forest responses to droughts and future field campaigns that aim to better parameterize plant hydrodynamic models.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1994

Hydro-isostatic deflection and tectonic tilting in the central Andes: Initial results of a GPS survey of Lake Minchin shorelines

Sufficiently large lake loads provide a means of probing rheological stratification of the crust and upper mantle. Lake Minchin was the largest of the late Pleistocene pluvial lakes in the central Andes. Prominent shorelines, which formed during temporary still-stands in the climatically driven lake level history, preserve records of lateral variations in subsequent net vertical motions. At its maximum extent the lake was 140 m deep and spanned 400 km N-S and 200 km E-R. The load of surficial water contained in Lake Minchin was sufficient to depress the crust and underlying mantle by 20-40 m, depending on the subjacent rheology. Any other differential vertical motions will also be recorded as departures from horizontality of the shorelines. We recently conducted a survey of shoreline elevations of Lake Minchin with the express intent of monitoring the hydro-isostatic deflection and tectonic tilting. Using real-time differential Global Positioning System (GPS), we measured topographic profiles across suites of shorelines at 15 widely separated locations throughout the basin. Horizontal and vertical accuracies attained are roughly 30 and 70 cm, respectively. Geomorphic evidence suggests that the highest shoreline was occupied only briefly (probably less than 200 years) and radiocarbon dates on gastropod shells found in association with the shore deposits constrain the age to roughly 17 kyr. The basin-side pattern of elevations of the highest shoreline is composed of two distinct signals: (27 +/- 1) m of hydro-isostatic deflection due to the lake load, and a planar tilt with east and north components of (6.8 +/- 0.4) 10(exp -5) and 9-5.3 +/- 0.3) 10(exp -5). This rate of tilting is too high to be plausibly attributed to steady tectonism, and presumably reflects some unresolved combination of tectonism plus the effects of oceanic and lacustrine loads on a laterally heterogeneous substrate. The history of lake level fluctuations is still inadequately known to allow detailed inferences of crust and mantle rheology. However, it is already clear that the effective elastic plate thickness is closer to 40 km than the 60-70 km crustal thickness in the central Andes and the effective viscosity is less than 5 10(exp 20) Pa s.

Bills, Bruce G.↗

NASA NTRS2004

Microfabrication and Test of a Three-Dimensional Polymer Hydro-Focusing Unit for Flow Cytometry Applications

This paper details a novel three-dimensional (3D) hydro-focusing micro cell sorter for micro flow cytometry applications. The unit was micro-fabricated by means of SU-8 3D lithography. The 3D microstructure for coaxial sheathing was designed, micro-fabricated, and tested. Three-dimensional hydrofocusing capability was demonstrated with an experiment to sort labeled tanned sheep erythrocytes (red blood cells). This polymer hydro-focusing microstructure is easily micro-fabricated and integrated with other polymer microfluidic structures.

Yang, Ren↗

NASA NTRS2004

The HYDROS mission: requirements and baseline system design

The HYDROS mission is under development by NASA as part of its Earth System Science Pathfinder program. HYDROS is designed to provide global maps of the Earth's soil moisture and freeze/thaw state every 2-3 days, for weather and climate prediction, water and carbon cycle studies, natural hazards monitoring, and national security applications.

radar↗

NASA NTRS2004

The HYDROS Radiometer/Radar Instrument

The science objectives of the HYDROS mission are to provide frequent, global measurements of surface soil moisture and surface freeze/thaw state. In order to adequately measure these geophysical quantities, the key instrument requirements were determined by the HYDROS science team to be: 1) Dual-polarization L-Band passive radiometer measurements at 40 km resolution, 2) Dual-polarization L-Band active radar measurements at 3 km resolution, and 3) A wide swath to insure global three day refresh time for these measurements (1000 km swath at the selected orbit altitude of 670 km). As a solution to this challenging set of instrument requirements, a relatively large, 6 meter, conically-scanning reflector antenna architecture was selected for the instrument design. The deployable mesh antenna is shared by both the radiometer and radar electronics by employing a single L-Band feed.

freeze thaw↗

NASA NTRS2004

The Hydrosphere State (Hydros) Satellite Mission: An Earth System Pathfinder for Global Mapping of Soil Moisture and Land Freeze/Thaw

The Hydrosphere State Mission (Hydros) is a pathfinder mission in the National Aeronautics and Space Administration (NASA) Earth System Science Pathfinder Program (ESSP). The objective of the mission is to provide exploratory global measurements of the earth's soil moisture at 10-km resolution with two- to three-days revisit and land-surface freeze/thaw conditions at 3-km resolution with one- to two-days revisit. The mission builds on the heritage of ground-based and airborne passive and active low-frequency microwave measurements that have demonstrated and validated the effectiveness of the measurements and associated algorithms for estimating the amount and phase (frozen or thawed) of surface soil moisture. The mission data will enable advances in weather and climate prediction and in mapping processes that link the water, energy, and carbon cycles. The Hydros instrument is a combined radar and radiometer system operating at 1.26 GHz (with VV, HH, and HV polarizations) and 1.41 GHz (with H, V, and U polarizations), respectively. The radar and the radiometer share the aperture of a 6-m antenna with a look-angle of 39 with respect to nadir. The lightweight deployable mesh antenna is rotated at 14.6 rpm to provide a constant look-angle scan across a swath width of 1000 km. The wide swath provides global coverage that meet the revisit requirements. The radiometer measurements allow retrieval of soil moisture in diverse (nonforested) landscapes with a resolution of 40 km. The radar measurements allow the retrieval of soil moisture at relatively high resolution (3 km). The mission includes combined radar/radiometer data products that will use the synergy of the two sensors to deliver enhanced-quality 10-km resolution soil moisture estimates. In this paper, the science requirements and their traceability to the instrument design are outlined. A review of the underlying measurement physics and key instrument performance parameters are also presented.

Entekhabi, D.↗

NASA NTRSDate not supplied

LIS-Hydro: A Comprehensive Framework for Flood Prediction, Analysis, and Management

A subset of agencies from across the U.S. Federal enterprise are collaborating on the development of a fully-integrated hydro-modeling and streamflow prediction system (i.e., LIS-Hydro). The hydrological products and services will, for the very first time, establish a routinely available authoritative source of global water intelligence information supporting war-fighters, planners, and decision makers at all echelons and services of the U.S. military, Federal government, and intelligence community. Completion of the project and sustainment of the operational capability by Air Force Weather will establish a national asset to assist federal agencies in implementing government-wide strategies around water resources (U.S. Global Water Strategy, 2017). A summary of the interagency scientific collaboration in addressing some of the key gaps and needs identified during a 2017 joint NASA, USACE/ERDC, and U.S. Air Force co-sponsored workshop will be presented.

Jerry W Wegiel↗