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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Insights of warm-cloud biases in Community Atmospheric Model 5 and 6 from the single-column modeling framework and Aerosol and Cloud Experiments in the Eastern North Atlantic (ACE-ENA) observations

There has been a growing concern that most climate models predict precipitation that is too frequent, likely due to lack of reliable subgrid variability and vertical variations in microphysical processes in low-level warm clouds. In this study, the warm-cloud physics parameterizations in the singe-column configurations of NCAR Community Atmospheric Model version 6 and 5 (SCAM6 and SCAM5, respectively) are evaluated using ground-based and airborne observations from the Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Aerosol and Cloud Experiments in the Eastern North Atlantic (ACE-ENA) field campaign near the Azores islands during 2017–2018. The 8-month single-column model (SCM) simulations show that both SCAM6 and SCAM5 can generally reproduce marine boundary layer cloud structure, major macrophysical properties, and their transition. The improvement in warm-cloud properties from the Community Atmospheric Model 5 and 6 (CAM5 to CAM6) physics can be found through comparison with the observations. Meanwhile, both physical schemes underestimate cloud liquid water content, cloud droplet size, and rain liquid water content but overestimate surface rainfall. Modeled cloud condensation nuclei (CCN) concentrations are comparable with aircraft-observed ones in the summer but are overestimated by a factor of 2 in winter, largely due to the biases in the long-range transport of anthropogenic aerosols like sulfate. We also test the newly recalibrated autoconversion and accretion parameterizations that account for vertical variations in droplet size. Compared to the observations, more significant improvement is found in SCAM5 than in SCAM6. This result is likely explained by the introduction of subgrid variations in cloud properties in CAM6 cloud microphysics, which further suppresses the scheme's sensitivity to individual warm-rain microphysical parameters. The predicted cloud susceptibilities to CCN perturbations in CAM6 are within a reasonable range, indicating significant progress since CAM5 which produces an aerosol indirect effect that is too strong. The present study emphasizes the importance of understanding biases in cloud physics parameterizations by combining SCM with in situ observations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Benchmarking and parameter sensitivity of physiological and vegetation dynamics using the Functionally Assembled Terrestrial Ecosystem Simulator (FATES) at Barro Colorado Island, Panama

Plant functional traits determine vegetation responses to environmental variation, but variation in trait values is large, even within a single site. Likewise, uncertainty in how these traits map to Earth system feedbacks is large. We use a vegetation demographic model (VDM), the Functionally Assembled Terrestrial Ecosystem Simulator (FATES), to explore parameter sensitivity of model predictions, and comparison to observations, at a tropical forest site: Barro Colorado Island in Panama. We define a single 12-dimensional distribution of plant trait variation, derived primarily from observations in Panama, and define plant functional types (PFTs) as random draws from this distribution. We compare several model ensembles, where individual ensemble members vary only in the plant traits that define PFTs, and separate ensembles differ from each other based on either model structural assumptions or non-trait, ecosystem-level parameters, which include (a) the number of competing PFTs present in any simulation and (b) parameters that govern disturbance and height-based light competition. While single-PFT simulations are roughly consistent with observations of productivity at Barro Colorado Island, increasing the number of competing PFTs strongly shifts model predictions towards higher productivity and biomass forests. Different ecosystem variables show greater sensitivity than others to the number of competing PFTs, with the predictions that are most dominated by large trees, such as biomass, being the most sensitive. Changing disturbance and height-sorting parameters, i.e., the rules of competitive trait filtering, shifts regimes of dominance or coexistence between early- and late-successional PFTs in the model. Increases to the extent or severity of disturbance, or to the degree of determinism in height-based light competition, all act to shift the community towards early-successional PFTs. In turn, these shifts in competitive outcomes alter predictions of ecosystem states and fluxes, with more early-successional-dominated forests having lower biomass. It is thus crucial to differentiate between plant traits, which are under competitive pressure in VDMs, from those model parameters that are not and to better understand the relationships between these two types of model parameters to quantify sources of uncertainty in VDMs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Modeling of streamflow in a 30 km long reach spanning 5 years using OpenFOAM 5.x

Abstract. Developing accurate and efficient modeling techniques for streamflow at the tens-of-kilometers spatial scale and multi-year temporal scale is critical for evaluating and predicting the impact of climate- and human-induced discharge variations on river hydrodynamics. However, achieving such a goal is challenging because of limited surveys of streambed hydraulic roughness, uncertain boundary condition specifications, and high computational costs. We demonstrate that accurate and efficient three-dimensional (3-D) hydrodynamic modeling of natural rivers at 30 km and 5-year scales is feasible using the following three techniques within OpenFOAM, an open-source computational fluid dynamics platform: (1) generating a distributed hydraulic roughness field for the streambed by integrating water-stage observation data, a rough wall theory, and a local roughness optimization and adjustment strategy; (2) prescribing the boundary condition for the inflow and outflow by integrating precomputed results of a one-dimensional (1-D) hydraulic model with the 3-D model; and (3) reducing computational time using multiple parallel runs constrained by 1-D inflow and outflow boundary conditions. Streamflow modeling for a 30 km long reach in the Columbia River (CR) over 58 months can be achieved in less than 6 d using 1.1 million CPU hours. The mean error between the modeled and the observed water stages for our simulated CR reach ranges from −16 to 9 cm (equivalent to approximately ±7 % relative to the average water depth) at seven locations during most of the years between 2011 and 2019. We can reproduce the velocity distribution measured by the acoustic Doppler current profiler (ADCP). The correlation coefficients of the depth-averaged velocity between the model and ADCP measurements are in the range between 0.71 and 0.83 at 75 % of the survey cross sections. With the validated model, we further show that the relative importance of dynamic pressure versus hydrostatic pressure varies with discharge variations and topography heterogeneity. Given the model's high accuracy and computational efficiency, the model framework provides a generic approach to evaluate and predict the impacts of climate- and human-induced discharge variations on river hydrodynamics at tens-of-kilometers and decadal scales.

58 GEOSCIENCES↗
DOE OSTI2022

MPAS-Seaice (v1.0.0): sea-ice dynamics on unstructured Voronoi meshes

Abstract. We present MPAS-Seaice, a sea-ice model which uses the Model for Prediction Across Scales (MPAS) framework and spherical centroidal Voronoi tessellation (SCVT) unstructured meshes. As well as SCVT meshes, MPAS-Seaice can run on the traditional quadrilateral grids used by sea-ice models such as CICE. The MPAS-Seaice velocity solver uses the elastic–viscous–plastic (EVP) rheology and the variational discretization of the internal stress divergence operator used by CICE, but adapted for the polygonal cells of MPAS meshes, or alternatively an integral (“finite-volume”) formulation of the stress divergence operator. An incremental remapping advection scheme is used for mass and tracer transport. We validate these formulations with idealized test cases, both planar and on the sphere. The variational scheme displays lower errors than the finite-volume formulation for the strain rate operator but higher errors for the stress divergence operator. The variational stress divergence operator displays increased errors around the pentagonal cells of a quasi-uniform mesh, which is ameliorated with an alternate formulation for the operator. MPAS-Seaice shares the sophisticated column physics and biogeochemistry of CICE and when used with quadrilateral meshes can reproduce the results of CICE. We have used global simulations with realistic forcing to validate MPAS-Seaice against similar simulations with CICE and against observations. We find very similar results compared to CICE, with differences explained by minor differences in implementation such as with interpolation between the primary and dual meshes at coastlines. We have assessed the computational performance of the model, which, because it is unstructured, runs with 70 % of the throughput of CICE for a comparison quadrilateral simulation. The SCVT meshes used by MPAS-Seaice allow removal of equatorial model cells and flexibility in domain decomposition, improving model performance. MPAS-Seaice is the current sea-ice component of the Energy Exascale Earth System Model (E3SM).

58 GEOSCIENCES↗
DOE OSTI2022

Sea ice breakup and freeze-up indicators for users of the Arctic coastal environment

Abstract. The timing of sea ice retreat and advance in Arctic coastal waters varies substantially from year to year. Various activities, ranging from marine transport to the use of sea ice as a platform for industrial activity or winter travel, are affected by variations in the timing of breakup and freeze-up, resulting in a need for indicators to document the regional and temporal variations in coastal areas. The primary objective of this study is to use locally based metrics to construct indicators of breakup and freeze-up in the Arctic and subarctic coastal environment. The indicators developed here are based on daily sea ice concentrations derived from satellite passive-microwave measurements. The “day of year” indicators are designed to optimize value for users while building on past studies characterizing breakup and freeze-up dates in the open pack ice. Relative to indicators for broader adjacent seas, the coastal indicators generally show later breakup at sites known to have landfast ice. The coastal indicators also show earlier freeze-up at some sites in comparison with freeze-up for broader offshore regions, likely tied to earlier freezing of shallow-water regions and areas affected by freshwater input from nearby streams and rivers. A factor analysis performed to synthesize the local indicator variations shows that the local breakup and freeze-up indicators have greater spatial variability than corresponding metrics based on regional ice coverage. However, the trends towards earlier breakup and later freeze-up are unmistakable over the post-1979 period in the synthesized metrics of coastal breakup and freeze-up and the corresponding regional ice coverage. The findings imply that locally defined indicators can serve as key links between pan-Arctic or global indicators such as sea ice extent or volume and local uses of sea ice, with the potential to inform community-scale adaptation and response.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Linking large-scale weather patterns to observed and modeled turbine hub-height winds offshore of the US West Coast

The US West Coast holds great potential for wind power generation, although its potential varies due to the complex coastal climate. Characterizing and modeling turbine hub-height winds under different weather conditions are vital for wind resource assessment and management. This study uses a two-stage machine learning algorithm to identify five large-scale meteorological patterns (LSMPs): post-trough, post-ridge, pre-ridge, pre-trough, and California high. The LSMPs are linked to offshore wind patterns, specifically at lidar buoy locations within lease areas for future wind farm development off Humboldt and Morro Bay. While each LSMP is associated with characteristic large-scale atmospheric conditions and corresponding differences in wind direction, diurnal variation, and jet features at the two lidar sites, substantial variability in wind speeds can still occur within each LSMP. Wind speeds at Humboldt increase during the post-trough, pre-ridge, and California-high LSMPs and decrease during the remaining LSMPs. Morro Bay has smaller responses in mean speeds, showing increased wind speed during the post-trough and California-high LSMPs. Besides the LSMPs, local factors, including the land–sea thermal contrast and topography, also modify mean winds and diurnal variation. The High-Resolution Rapid Refresh model analysis does a good job of capturing the mean and variation at Humboldt but produces large biases at Morro Bay, particularly during the pre-ridge and California-high LSMPs. The findings are anticipated to guide the selection of cases for studying the influence of specific large-scale and local factors on California offshore winds and to contribute to refining numerical weather prediction models, thereby enhancing the efficiency and reliability of offshore wind energy production.

17 WIND ENERGY↗
DOE OSTI2020

US East Coast synthetic aperture radar wind atlas for offshore wind energy

We present the first synthetic aperture radar (SAR) offshore wind atlas of the US East Coast from Georgia to the Canadian border. Images from RADARSAT-1, Envisat, and Sentinel-1A/B are processed to wind maps using the geophysical model function (GMF) CMOD5.N. Extensive comparisons with 6008 collocated buoy observations of the wind speed reveal that biases of the individual systems range from -0.8 to 0.6 m s -1 . Unbiased wind retrievals are crucial for producing an accurate wind atlas, and intercalibration of the SAR observations is therefore applied. Wind retrievals from the intercalibrated SAR observations show biases in the range of to -0.2 to 0.0 m s -1 , while at the same time improving the root-mean-squared error from 1.67 to 1.46 m s -1 . The intercalibrated SAR observations are, for the first time, aggregated to create a wind atlas at the height 10 m a.s.l. (above sea level). The SAR wind atlas is used as a reference to study wind resources derived from the Wind Integration National Dataset Toolkit (WTK), which is based on 7 years of modelling output from the Weather Research and Forecasting (WRF) model. Comparisons focus on the spatial variation in wind resources and show that model outputs lead to lower coastal wind speed gradients than those derived from SAR. Areas designated for offshore wind development by the Bureau of Ocean Energy Management are investigated in more detail; the wind resources in terms of the mean wind speed show spatial variations within each designated area between 0.3 and 0.5 m s -1 for SAR and less than 0.2m s -1 for the WTK. Our findings indicate that wind speed gradients and variations might be underestimated in mesoscale model outputs along the US East Coast.

17 WIND ENERGY↗
DOE OSTI2022

Increased signal-to-noise ratios within experimental field trials by regressing spatially distributed soil properties as principal components

Environmental variability poses a major challenge to any field study. Researchers attempt to mitigate this challenge through replication. Thus, the ability to detect experimental signals is determined by the degree of replication and the amount of environmental variation, noise, within the experimental system. A major source of noise in field studies comes from the natural heterogeneity of soil properties which create microtreatments throughout the field. In addition, the variation within different soil properties is often nonrandomly distributed across a field. We explore this challenge through a sorghum field trial dataset with accompanying plant, microbiome, and soil property data. Diverse sorghum genotypes and two watering regimes were applied in a split-plot design. We describe a process of identifying, estimating, and controlling for the effects of spatially distributed soil properties on plant traits and microbial communities using minimal degrees of freedom. Importantly, this process provides a method with which sources of environmental variation in field data can be identified and adjusted, improving our ability to resolve effects of interest and to quantify subtle phenotypes.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Individual Wave Detection and Tracking within a Rotating Detonation Engine through Computer Vision Object Detection applied to High-Speed Images

Known for their simplistic design and continuous detonation, rotating detonation engines (RDEs) constitute a majority of current pressure gain combustion (PGC) research efforts. Experimental RDE operation times have been continuously extended through the use of rig cooling techniques. As the window of observable behavior is expanded, and as the technology matures toward eventual integration within gas turbines, monitoring techniques must evolve to better match industrial diagnostics. High-speed image analysis techniques prove useful to capture and evaluate the unsteady detonation behavior within the RDE. Traditional image analysis techniques, however, require extensive processing times which prohibit simultaneous monitoring. To better address this problem, a computer vision object detection methodology is proposed to quickly detect individual detonation waves within a single down-axis image. Detonation waves are detected in individual images by the implemented computer vision method You Only Look Once (YOLO) object detection network. In order to detect detonation waves, the network must first be trained using RDE images of interest, for which each required phase of network development is outlined. Detection of waves is improved through proper treatment of the collected image set, variation of Intersection over Union (IoU) and confidence thresholding, and through a parametric study of annotation dimensions. Each detected wave is described by its location and rotational direction, and locations are tracked to calculate wave velocity across each frame, leading to a timestep resolution of 20 µs. Wave velocities are also calculated through a series of frames, leading to a suitable average velocity estimation using as few as 10 frames. Uncertainty analysis accounting for variation in camera framerate, pixel width and annotation centroid locations estimates a total uncertainty of ±4.3% for velocity calculations, using the smallest annotation boxes. This method offers great reductions in processing times, as a step toward real-time monitoring of detonation waves within an RDE. Improving on previous studies, this technique is impartial to wave modes not included in the original training set and calculates wave velocities independent of high-speed pressure data. The ability to isolate waves within predicted bounding boxes will likely facilitate analysis of pixel intensity variation as an estimation of wave strength in future work.

Johnson, Kristyn↗
DOE OSTI2020

Streamlining Energy Sprawl: Assessment of Geothermal Impacts on Public Lands

Renewable energy power generation, including geothermal, solar photovoltaics (PV), and wind, can have significant land use impacts depending on the technology and the size of the facility. At the same time, innovations across these renewable technologies are working to improve plant efficiency per acre of disturbance. Through a survey of satellite imagery and other sources, this analysis reevaluates the impact of geothermal power generation and examines the variations in land use for different geothermal technologies (binary, flash, and dry steam). Geothermal operations on Bureau of Land Management (BLM) sites serve as the focus for this analysis - i.e., only active sites with federal mineral ownership for which the BLM receives royalties from power production. The results show significant variation in direct land disturbance across the operations sites and across these three geothermal technologies. Although there is variation across plants within the same geothermal technology category, dry steam plants (The Geysers) were shown to have the lowest impact, in acres per megawatt capacity and acres per gigawatt-hour generation, followed by flash steam and binary plants. Overall, direct land impacts relative to capacity and generation have declined 16-27% for facilities constructed since 2000 as compared to those constructed prior, even though most new facilities are binary plants (which traditionally had higher land disturbance). Additionally, capacity factors based on actual net production data were found to average only 50% across all operations sites, suggesting that previous estimates based on nameplate capacity only may lead to an undercounting of generation-based land disturbance metrics. Should the geothermal industry capture additional market share, improving land disturbance metrics through accurate net production and capacity data and further minimizing impacts will be increasingly important as competition over land use intensifies.

GEOTHERMAL ENERGY↗
DOE OSTI2022

Impact of Open Communication Networks on Load Frequency Control with Plug-in Electric Vehicles by Cyber-Physical Dynamic Co-Simulation: Preprint

With the increasing electrification of the transportation sector, vehicle to grid (V2G) control technologies are promising to improving system frequency stability. However, these control technologies might require non-traditional communication supports. This paper investigates the impacts of electric vehicles (EVs) V2G on power system frequency regulation considering communication variations through transmission-distribution-communication (TDC) dynamic simulation. The simulation model is built based on our previously developed open-source transmission-and-distribution (T&D) dynamic co-simulation framework. Here, we add the communication variation functions (i.e. delay and packet loss) to complete the TDC simulation framework. In the case studies, practical communication variation scenarios are considered when the system experiencing an N-1 generation trip contingency. The considered scenarios include communication delay and packet loss using both homogeneous and heterogeneous assumptions. The delay and packet loss rate are the same in all communication channels in the homogeneous case but varies in the heterogeneous case. The results show the communication delay has an obvious impact on the frequency recovery compared to the communication packet drop. The impacts of the standard deviations of communication delay time and packet drop rate are not significant. The outcomes of this work can help improve the EV frequency regulation services and provide robust and effect supports to the grid.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗
DOE OSTI2023

Modeling and Simulation of Advanced Manufacturing Techniques using MOOSE and MALAMUTE

Advanced manufacturing techniques offer increased geometry complexity, energy and material usage efficiency improvements, and an expanded palette of materials as compared to conventional manufacturing approaches. Advanced-manufacturing-produced parts can experience wide variations in the final microstructure, and these microstructure variations significantly impact the parts’ performance. In this chapter, we present recent code developments within Multiphysics Object-Oriented Simulation Environment (MOOSE) and in the MOOSE Application Library for Advanced Manufacturing UTilitiEs (MALAMUTE). Here we demonstrate applying these modeling and simulation codes to two advanced manufacturing process types: advanced sintering techniques and laser-based additive manufacturing techniques. The multiphysics and multiscale capabilities of these codes enable prediction of the microstructure evolution resulting from variations in the Advanced manufacturing process parameters.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Evaluating the Feasibility of Measuring and Analyzing Strain Caused by Changes in Barometric Pressure in the Vadose Zone

Changes in barometric pressure propagate into the subsurface where they can affect water level measurements in wells and cause vertical strain. Previous strain sensors were developed to measure vertical strain, but they were limited to measurements at a single depth, making it difficult to evaluate strains from a migrating pressure wave. Technology known as Coherence-length-gated Microwave Photonics Interferometry (CMPI) uses optical fiber sensors to measure strain at multiple locations. It has the potential to detect strain caused by variations in barometric pressure at multiple depths in the subsurface. The goal of this study is to evaluate the feasibility of using this technology to record the changes in vertical strain in the vadose zone from small fluctuations in air pressure. Propagation of these air pressure fluctuations is affected by hydrogeological properties such as water content and permeability. A second goal of this study is to evaluate how these properties affect the air pressure distribution, strain, and gas-phase diffusivity with a long-term goal of using strain to monitor the vadose zone. The focus of this study is on a suite of laboratory experiments that used a sand-filled column with an open head space. The CMPI fiber was packaged and embedded along the axis of the column to measure the strain at multiple locations while air pressure transducers were installed through the wall of the column. Small periodic fluctuations in air pressure, similar to barometric pressure fluctuations, were created in the head space of the column using an audio driven speaker driven at 4 Hz using a sinusoidal signal created by a function generator. Then, the fluctuations propagated along the column where they were measured by the transducers and recorded as functions of time. Initial tests were conducted using dry sand, but then additional tests were conducted after injecting water into the column, which changed the hydrologic and mechanical properties. Another experiment was conducted after creating a thin barrier to air flow, which was designed to simulate a thin layer of saturated ground during rainfall. A final experiment was conducted by changing the grain size of the material to create a heterogeneity in the upper half of the column. The suite of six experiments was conducted to highlight effects of variations in water content and heterogeneities on air pressure and vertical strain. Numerical simulations were also created to evaluate the laboratory data and to provide a baseline analysis for the results. The numerical simulations used the governing equations to linear poroelasticity and two-phase flow with boundary conditions representing the experiments. The conceptual model for strain caused by barometric pressure recognizes that a fluctuating barometric pressure causes fluctuations in the air pore pressure that decrease in amplitude and lag in time with increase depth. The pressure distribution results in two different loads that cause strain: 1.) a mechanical load as the barometric pressure acts on the ground surface; and 2.) pressure loading in the pore space. The results show that the total vertical strain is a contribution of both of these loads, and this is the strain that was observed in the laboratory. The lab experiments show that both air pressure and strain vary as sinusoids that propagate with depth. The amplitude of the air pressure and strain decrease as a function of depth in all the conditions that were evaluate. For example, in the dry sand, the amplitude of the air pressure decreases from 25 Pa at the head space to 5 Pa at a depth of 70 cm, whereas the amplitude of the strain decreases from 0.15 to 0.06 µε over the same depth interval. In many cases the amplitudes decrease is approximately negative exponential functions of depth. When water was injected into the sand and the saturation increased, the amplitude of the air pressure increased in the partially saturated sand but decreased sharply to zero where the soil was saturated. The strain decreased with depth, but the transition from partially to fully saturated conditions had little effect on the strain profile, even though it had a major effect on the air pressure. This apparently is because strain is caused by variations in both water and air pressure. The fluctuating air pressure caused the water pressure to fluctuate, which caused strain throughout the column. Phase delay of the air pressure and the strain both increase as linear to bi-linear functions of depth. The phase delays indicate that pressure propagates at a velocity of 7 to 8 m/s in dry or partially saturated sand, but it drops by more than an order of magnitude in the vicinity of the capillary fringe. The phase delays indicate the strain propagates faster than the pressure. The data indicate that the strain propagates from 1.2 to more than 4x faster than the pressure. Switching from sand to silt in the column caused the velocity of the pressure to drop by roughly half for both pressures, but curiously, it had little effect on the velocity of the strain.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Evaluating the Feasibility of Using Strain Measured During Sinusoidal Rate Pumping Tests to Characterize an Aquifer

Pumping tests with sinusoidal variation in pumping rate have been proposed as a method for improving aquifer characterization. These tests can interrogate a larger aquifer volume than slug tests and they can be more sensitive to small variations in drawdown. Current methods of using sinusoidal variations of rate are based on measuring pressure signals from the reservoir or aquifer, which requires access to monitoring wells. An alternative approach has been developed that measures the strain in the vadose zone instead of pressure in the reservoir. An instrument has been developed at Clemson University that can measure small strains using optical fiber sensors, and we propose that it can be used to measure strain during sinusoidal pumping tests. The objective of this project is to evaluate the feasibility of measuring and interpreting the vertical strain in the vadose zone generated during a sinusoidal rate pumping tests to estimate aquifer and/or overburden properties. Pumping tests were performed at a site with a water table at 9 m and saturated saprolite from 9 to 30m depth. Sinusoidal pumping tests in the saprolite used different pumping amplitudes and periods while pressure was measured at three piezometers and vertical strain was measured in the vadose zone from 1 to 7 m depth. The delay time of the pressure increased linearly with distance, and it increased with the square root of the period, while the amplitude of the pressure decreased with distance and increased with amplitude. Vertical strain in the vadose zone varied with the same period as the pumping rate and the delay times were similar to those for pressures measured at similar radial distances. Delay times for the strain increased with an increasing propagation of the strain field. The hydraulic diffusivity was estimated using delay times for pressure and strain, and the results were compared with the values estimated from a constant-rate pumping test. The hydraulic diffusivity from the constant rate test was 0.039 m2/sec, whereas it was 0.053 (±0.05) m2/sec and 0.035 (±0.03) m2/sec from the pressure data and 0.08 (±0.022) m2/sec and 0.035 (±0.001) m2/sec from the strain data from sinusoidal tests of various periods and amplitudes. There is no statistical difference among these values. This study indicates that strain measurements in the vadose zone can be used to estimate aquifer properties during sinusoidal pumping tests.

Blais, Riley↗
DOE OSTI2025

In situ Detection of Plasma Induced Surface Interaction based on Deep Learning based Visual Diagnostics (Technical Report)

It is characteristic for many plasma devices to undergo plasma-material interaction leading to surface erosion. These processes, often not easily detectable, lead to changes in device performance and lifespan. State-of-the-art lifetime tests and wear experiments require over 1000s hours. A self-consistent model for accurately predicting the erosion's effects is not available. In situ detection of these processes is not a trivial task since the surface variations at the early stages have a micron scale. Such limitations not only restrict testing and prediction capabilities but also slow the development of new thrusters and limit mission duration. To address these challenges, an in-situ diagnostic for real-time erosion assessment has been developed, aiming to expedite lifetime testing and broaden experimental campaigns. Several works were dedicated to real-time and in situ monitoring of material erosion during plasma exposure using laser holography, microscopy, and with telemicroscopes. However, the applicability of these approaches is limited due to complexity, cost and less flexibility as they often require placing diagnostic equipment inside the vacuum chamber. In collaboration with Princeton Collaborative Research Facility (PCRF), Princeton Plasma Physics Laboratory (PPPL), a new diagnostic approach is developed, where geometry modifications to the ceramic channel walls were introduced that would result in accelerated channel erosion. We employed Long-distance microscope (LDM) imagery, combined with Deep-Learning based Shape from focus or depth from focus (DFF or SFF) approach, that provides an accessible and cost-effective solution. LDM employs focus variation techniques to continuously capture multiple images of the target object at distinct focal planes. DFF, an optical focus variation method, generates a 3D topographical surface depth map from a sequence of variably focused images. Combined with the developed diagnostic, this approach offers a controllable means to study erosion under accelerated conditions. In this work, we develop Neural Network-based DFF algorithm applicable for LDM data to quantitatively evaluate plasma induced surface modification from LDM data. Next, we develop Deep Learning-based super-resolution depth map image reconstruction technique to increase the resolution of depth maps obtained from DFF algorithm to improve the accuracy of erosion measurements. Thirdly, we develop several image processing techniques to remove noise and improve the quality of depth map image. Here we report the results of initial tests for this approach. An experimental setup designed and built in PPPL was employed that consists of a 3-cm gridded ion source that produces a neutralized argon beam with energies up to 600 eV. A hexagonal boron nitride (h-BN) ceramic target, designed based on computational predictions, was used. Tests were conducted to reconstruct the complex geometry of the target under the lighting conditions of the operated ion source.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Benchmarking quantum trial wavefunctions for phaseless auxiliary-field quantum Monte Carlo

The phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC) method is a stochastic imaginary-time projection technique for computing ground-state properties of strongly correlated quantum systems, with accuracy that depends critically on the choice of trial wavefunction. Here, we investigate ph-AFQMC with trial states prepared using parameterized quantum circuits. In this work, we present a comprehensive benchmarking study of quantum trial wavefunctions spanning unitary coupled-cluster, Hamiltonian-informed, Jastrow-inspired, and adaptively constructed ansatze. The benchmarking evaluates accuracy, expressibility, and scalability of these ansatze within the QC-AFQMC framework. We test these ansatze on linear hydrogen chains under bond stretching and find that several ansatz families produce chemically accurate ph-AFQMC energies across the dissociation curve. We have performed simulations using the CUDA-Q quantum development platform on the GPU partition of the Perlmutter supercomputer. When comparing ansatze at similar numbers of variational parameters, we find that different ansatz families yield comparable ph-AFQMC results despite exhibiting substantially different variational energies, optimization costs, and circuit depths. Our results indicate that the variational energy of an ansatz is not always a reliable indicator of its quality for ph-AFQMC and reveal instances of over-parameterization. In the strongly correlated regime, trial wavefunctions obtained from adaptive ansatze, exemplified here by ADAPT-VQE with the UCCSD operator pool, can outperform their fixed-ansatz counterparts (UCCSD) in terms of projected energies while using substantially more compact circuits, providing a flexible route to optimize quantum resources within the ph-AFQMC framework.

Rofougaran, Rod [LBNL, Berkeley; Columbia U.; PNL,↗
DOE OSTI2021

B-PINNs: Bayesian Physics-informal Neural Networks for Forward and Inverse PDE Problems with Noisy Data

We propose a Bayesian physics-informed neural network (B-PINN) to solve both forward and inverse nonlinear problems described by partial differential equations (PDEs) and noisy data. In this Bayesian framework, the Bayesian neural network (BNN) combined with a PINN for PDEs serves as the prior while the Hamiltonian Monte Carlo (HMC) or the variational inference (VI) could serve as an estimator of the posterior. B-PINNs make use of both physical laws and scattered noisy measurements to provide predictions and quantify the aleatoric uncertainty arising from the noisy data in the Bayesian framework. Compared with PINNs, in addition to uncertainty quantification, B-PINNs obtain more accurate predictions in scenarios with large noise due to their capability of avoiding overfitting. We conduct a systematic comparison between the two different approaches for the B-PINNs posterior estimation (i.e., HMC or VI), along with dropout used for quantifying uncertainty in deep neural networks. Our experiments show that HMC is more suitable than VI with mean field Gaussian approximation for the B-PINNs posterior estimation, while dropout employed in PINNs can hardly provide accurate predictions with reasonable uncertainty. Finally, we replace the BNN in the prior with a truncated Karhunen-Loève (KL) expansion combined with HMC or a deep normalizing flow (DNF) model as posterior estimators. The KL is as accurate as BNN and much faster but this framework cannot be easily extended to high-dimensional problems unlike the BNN based framework.

Non linear PDEs, Noisy data, Bysian physics inform↗
DOE OSTI2026

Demystifying Piecewise and Localized Scatter Correction Methods

Multiplicative scatter is a common source of noise in near-infrared spectroscopy and other related instrumental techniques. A wide variety of methods are commonly used for the correction of multiplicative scatter. However, the majority of such methods assume that the parameters that describe the scatter are constant throughout the measured spectrum, which is often not the case. This work investigates a family of methods that perform scatter correction using local regions of neighboring wavelengths in order to better account for wavelength-dependent scattering. The methods in question are piecewise standard normal variate, localized standard normal variate, piecewise multiplicative scatter correction, and localized multiplicative scatter correction. This work describes the theoretical and algorithmic foundations of the family of local region-based scatter correction methods and compares their application and optimization at a qualitative and quantitative level using several datasets.

NIR spectroscopy↗