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DOE OSTI2025

Hyporheic-zone Processes and Stream Oxygen Dynamics: Insights from a Multiscale Reactive Transport Model: Modeling Archive

This archive contains the data and Python scripts required to reproduce the analyses and figures in the study: Gomez-Velez, J. D., Rathore, S. S., Cohen, M. J., & Painter, S. L. (2025). Hyporheic-zone Processes and Stream Oxygen Dynamics: Insights from a Multiscale Reactive Transport Model. Submitted to Water Resources Research. The analysis utilizes the subgrid model Advection Dispersion Equation with Lagrangian Subgrids (ADELS) implemented in the Advanced Terrestrial Simulator (ATS; https://amanzi.github.io/ats/stable/). In this case, the ATS and Amanzi versions are (1) ATS version 1.5.1_f5ba18f8 and (2) Amanzi version 1.6-dev_53444cca4. The repository includes a Jupyter Notebook and the necessary data (Pandas DataFrames stored as pickle files) to generate the figures for the manuscript. Additionally, it contains Python scripts to create ATS input files, run the ATS simulations, and post-process the results. Finally, it provides routines for parameter estimation using the Single-Station Metabolism (SSM) model with the Differential Evolution Adaptive Metropolis (DREAM) Markov Chain Monte Carlo (MCMC) algorithm with ZS enhancements (DREAM-ZS).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Field and Model Data Associated with the Manuscript “Drivers of Streamflow Intermittency in Humid Regions: 2. Evaluating Controls on Flow Persistence in an Urbanized Catchment”

This package contains field data, modeling files, and scripts supporting the investigation of the drivers of streamflow intermittency in an urbanized catchment. It includes the field data collected from electrical resistivity tomography (ERT) surveys, distributed temperature sensing (DTS), continuous self-potential (SP) monitoring, groundwater and stilling well. In addition, it contains the data and results of the coupled water- and electrical-flow model developed using the COMSOL Multiphysics and Advanced Terrestrial Simulator (ATS), as well as software files and Jupyter notebooks used to process the data and generate figures in the manuscript submitted for peer review. The data archive is organized in the following directories: 1) Climate Includes hourly precipitation and daily evapotranspiration time series (2024 – 2025) provided as CSV files, alongside a text file detailing dataset units. 2) Coupled_model Field_Application subfolder contains the ATS XML input scripts, data files, output data for the SP site. It also contains the Jupyter notebook (Plot_final_calib.ipynb) to visualize the results of the modeled SP, stream-groundwater exchange and moisture content. The flow model simulation is executed using the ATS XML scripts and the included Python script (generate_data_set.py) to convert ATS output to COMSOL-ready input. COMSOL Multiphysics template (.m can only be used with COMSOL with MATLAB) is executed using the ATS output data to simulate the potential field. 3) Discharge Includes the electrical conductivity (EC) time series (provided as CSV files) from salt slug injections. It also includes the Jupyter notebook (Discharge_process.ipynyb) used to estimate discharge. All discharge measurements collated into rating_curve_processed.csv 4) DTS Contains collated DTS data including raw Stokes and anti-Stokes measurement (provided as .h5 file). It also includes DTS processing.ipynb, a Jupyter notebook for calibrating the DTS data using dts_calibration Python package. cooler_calibration.csv is the DTS calibration CSV used in the calibration sequence. 5) ERT Contains raw resistivity data (provided as CSV files), spatial location of each of the electrodes (provided as CSV files), and files used for the resistivity inversion. 6) Slug_test Includes the slug test data at all the groundwater wells provided as CSV files, as well as the Jupyter notebook (Slug_test.ipynb) for calculating hydraulic conductivity. 7) SP Contains the SP data collected in field at the SP sites (provided as CSV files). 8) Well_data Contains two subfolders: 1) Raw, which provides unprocessed pressure, electrical conductivity and temperature timeseries downloaded from the loggers in all the groundwater and stilling wells, and 2) Processed, which contains sorted, QA/QC timeseries data for each well. The data archive also contains data_process.ipynb, a Jupyter notebook used for field data analysis and generating figures (plotting well, SP, climate, and discharge data, as well as calculating head gradient at sites with nested groundwater wells). Note: Code files (.ipynb, .py, .xml) can be opened in any standard code editor, .exo file can be viewed using Paraview, .h5 files can be opened using HDFView software and h5py Python package, and .resipy file can be opened with the open-source ResIPy software.

ATS↗

DOE OSTI2026

Field and Model Data Associated with the Manuscript “Drivers of Streamflow Intermittency in Humid Regions: 1. Evaluating Above- and Below-ground Controls of Flow Persistence in a Forested Catchment”

This package contains field data, modeling files, and scripts supporting the investigation of the drivers of streamflow intermittency in a forested catchment. It includes the field data collected from electrical resistivity tomography (ERT) surveys, ground penetrating radar (GPR), continuous self-potential (SP) monitoring, electromagnetic (EM) imaging, groundwater and stilling well. In addition, it contains the data and results of the coupled water- and electrical-flow model developed using the COMSOL Multiphysics and Advanced Terrestrial Simulator (ATS), as well as software files and Jupyter notebooks used to process the data and generate figures in the manuscript submitted for peer review. The data archive is organized in the following directories: 1) Climate Includes hourly precipitation and daily evapotranspiration time series (2024 – 2025) provided as CSV files, alongside a text file detailing dataset units. 2) Coupled_model Contains two subfolders: Synthetic and Field_Application subfolder. Synthetic subfolder contains the ATS XML input script (can be opened using any code editor) for the four synthetic hydrological cases tested (Connected and gaining, Connected and losing, Disconnected and losing, and dry stream). It also includes other experimental cases to test the influence of precipitation and concentration gradient. For each synthetic case, the flow model simulation is executed using the ATS XML scripts and the included Python script (generate_data_set.py) to convert ATS output to COMSOL-ready input. COMSOL Multiphysics template (.mph can be opened with the commercial software COMSOL and requires a license) is executed using the ATS output data to simulate the potential field. It also includes the Synthetic_model_plot.ipynb (can be opened using any code editor) to visualize the SP result and generate manuscript figures. The data subfolder contains mesh files to run both the ATS (.exo and .stl files can be viewed using Paraview; .h5 files can be opened using HDFView software and h5py Python package) and COMSOL models. Field_Application subfolder contains two subfolders: ES_MDA_inversion and Final_Model. ES_MDA_inversion contains the Python script (.py can be opened using any code editor) and SP observation data used to run the Ensemble Smoother with Multiple Data Assimilation (ES-MDA) inversion sequence to get the optimal model parameters. The Final_model subfolder contains the ATS XML input scripts, data files, output data for the two SP sites. The same workflow steps outlined for the Synthetic subfolder apply here. It also contains the Jupyter notebook (Plot_final_calib.ipynb) to visualize the results of the modeled SP, stream-groundwater exchange and moisture content. 3) Discharge Includes the electrical conductivity (EC) time series (provided as CSV files) from salt slug injections. It also includes the Jupyter notebook (Discharge_process.ipynyb) used to estimate discharge. All discharge measurements collated into rating_curve_processed.csv 4) EM Contains the CSV file of the EM data from the DUALEM-42, including spatial coordinates (x, y, z), apparent conductivity, and in-phase measurements at 2 m coil separations for horizontal coplanar (HCP) and perpendicular (PRP) geometries. 5) ERT Contains raw resistivity data (provided as CSV files), spatial location of each of the electrodes (provided as CSV files), and files used for the resistivity inversion (.resipy can be opened with the open-source ResIPy software). 6) GPR Includes GPR field datasets collected at 100 MHz and 250 MHz antenna frequencies, along with the processing/interpretation project file (GPR_process.gpz can be viewed using EKKO_Project 6, a commercial software by Sensors & Software that requires a license). 7) Slug_test Includes the slug test data at all the groundwater wells provided as CSV files, as well as the Jupyter notebook (Slug_test.ipynb) for calculating hydraulic conductivity. 8) SP Contains the SP data collected in field at the two SP sites (one in the perennial reach and the other in the intermittent reach), provided as DAT files. 9) Well_data Contains two subfolders: 1) Raw, which provides unprocessed pressure, electrical conductivity and temperature timeseries downloaded from the loggers in all the groundwater and stilling wells, and 2) Processed, which contains sorted, QA/QC timeseries data for each well. The data archive also contains data_process.ipynb, a Jupyter notebook used for field data analysis and generating figures (plotting well, SP, climate, and discharge data, as well as calculating head gradient at sites with nested groundwater wells). It also includes DTW.ipynb, a Jupyter notebook containing the code for the dynamic time warping (DTW) with sliding window to evaluate SP signal synchronicity.

ATS↗

DOE OSTI2023

Review and Summary of Oxide Thickness Data for Aluminum-Clad Spent Nuclear Fuel

The U.S. Department of Energy (DOE) owns a large inventory of aluminum-clad spent nuclear fuel (ASNF) in interim storage pending ultimate disposition, with more being generated by currently operating research reactors. Dry storage in sealed DOE Standard Canisters is being investigated as an approach for long-term interim storage and/or disposition in a repository for ASNF. A primary challenge for ASNF storage is the presence of aluminum (oxy)hydroxide layers formed on the cladding surfaces during water exposure in the reactor and in wet storage, which forms a reservoir of chemisorbed water not readily removed at low (<100°C) drying temperatures. Free, physisorbed, and chemisorbed water are all susceptible to radiolytic breakdown under irradiation and can release hydrogen gas. Identifying the likely range of (oxy)hydroxide loadings on ASNF that may be placed in dry storage will help to ensure that the impact of the (oxy)hydroxide is adequately accounted for while avoiding over conservatism and enable mitigation strategies to be implemented where needed. The current report summarizes information on (oxy)hydroxide thicknesses and characteristics from the literature and from recent measurements taken in the present research campaign. In general, corrosion studies have indicated that the corrosion and oxide buildup on aluminum are affected by numerous conditions, including pH, temperature and heat flux, coolant flowrates, irradiation (in-reactor vs. unirradiated tests), duration of water exposure, and the amount of oxide already on the surface. Some of these factors are interrelated (e.g., the local temperature, heat flux, and coolant flowrate). Observations of the impact of irradiation (in-reactor versus ex-reactor measurements) on corrosion and oxide thickness are mixed, but multiple studies indicate that there is a significant difference between in-reactor and ex-reactor corrosion kinetics, even when other operating conditions such as pH, flowrate, heat flux, etc., simulate those in a reactor.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1989

Thermal analysis of engine inlet anti-icing systems

A hot air anti-icing system of a gas turbine engine inlet is analyzed numerically. A three-dimensional potential flow code, which accounts for compressibility effects, is used to determine the flowfield in and around the inlet. A particle trajectory code is developed using a local linearization technique. The trajectory code is used to calculate local water impingement rates. Energy balances are performed on both the surface runback water and the metallic skin to determine their temperature distributions. A variety of test cases are considered in order to validate the various numerical components of the process as well as to demonstrate the procedure.

Keith, Theo G., Jr.↗

NASA NTRS1961

Landing of Manned Reentry Vehicles

Landing characteristics were investigated using dynamic models. The landing speeds for several let-down systems are simulated. Demonstrations include: (1) the vertical landing of parachute-supported capsules on water; (2) reduction of landing acceleration by shaping the impact surface for water entry; (3) problems created by horizontal velocity due to wind; (4) the use of energy absorbers (yielding metal legs or torus bags) for land or water landings; (5) problems associated with horizontal land landings; (6) the use of a paraglider to aid in vehicle direction control; (7) a curved undersurface to serve as a skid-rocker to convert sinking-speed energy into angular energy; (8) horizontal-type landing obtained with winged vehicles on a hard runway; (9) the dangers of high-speed water landings; and (10) the positive effects of parachute support for landing winged vehicles.

Source record↗

NASA NTRS2016

Assimilation of Gridded Terrestrial Water Storage Observations from GRACE into a Land Surface Model

Observations of terrestrial water storage (TWS) from the Gravity Recovery and Climate Experiment (GRACE) satellite mission have a coarse resolution in time (monthly) and space (roughly 150,000 km(sup 2) at midlatitudes) and vertically integrate all water storage components over land, including soil moisture and groundwater. Data assimilation can be used to horizontally downscale and vertically partition GRACE-TWS observations. This work proposes a variant of existing ensemble-based GRACE-TWS data assimilation schemes. The new algorithm differs in how the analysis increments are computed and applied. Existing schemes correlate the uncertainty in the modeled monthly TWS estimates with errors in the soil moisture profile state variables at a single instant in the month and then apply the increment either at the end of the month or gradually throughout the month. The proposed new scheme first computes increments for each day of the month and then applies the average of those increments at the beginning of the month. The new scheme therefore better reflects submonthly variations in TWS errors. The new and existing schemes are investigated here using gridded GRACE-TWS observations. The assimilation results are validated at the monthly time scale, using in situ measurements of groundwater depth and soil moisture across the U.S. The new assimilation scheme yields improved (although not in a statistically significant sense) skill metrics for groundwater compared to the open-loop (no assimilation) simulations and compared to the existing assimilation schemes. A smaller impact is seen for surface and root-zone soil moisture, which have a shorter memory and receive smaller increments from TWS assimilation than groundwater. These results motivate future efforts to combine GRACE-TWS observations with observations that are more sensitive to surface soil moisture, such as L-band brightness temperature observations from Soil Moisture Ocean Salinity (SMOS) or Soil Moisture Active Passive (SMAP). Finally, we demonstrate that the scaling parameters that are applied to the GRACE observations prior to assimilation should be consistent with the land surface model that is used within the assimilation system.

GRACE↗

NASA NTRS1991

Recovery of reflectance from imaging spectrometer measured radiance using a radiative transfer code

Radiance data were acquired over part of the Clark Mountain Range, California in 1990 by the Airborne Visible Infrared Imaging Spectrometer (AVIRIS). From these calibrated radiance data, the lateral distribution of water vapor in precipitable mm was recovered through analysis of the 940 nm water absorption. Surface pressure height was calculated from the 760 nm oxygen absorption band in the AVIRIS data. Surface slopes are estimated from relative elevations derived from the equivalent water vapor elevation for a standard atmosphere. Atmospheric optical depths measured at the Mountain Pass site in these data are extended to the entire region and varied based on the calculated surface pressure elevation. These parameters, derived from every AVIRIS spatial element, are used to constrain the LOWTRAN 7 radiative transfer code for the recovery of surface reflectance. Once transformed to reflectance, the imaging spectrometer data may be analyzed quantitatively for determination of surface composition, and compared with reflectance measurements acquired from different locations, times, and instruments.

Green, Robert O.↗

DOE OSTI2026

SPRUCE Soil Volumetric Water Content in Experimental Plots, Marcell Experimental Forest, Minnesota, 2017-2025

This dataset contains soil volumetric water content (VWC) measurements from the Spruce and Peatland Responses Under Changing Environments (SPRUCE) Experiment. Measurements were made inside SPRUCE experimental plots in the S1 Bog at the US Forest Service Marcell Experimental Forest in northern Minnesota, USA from 2018-2025 (2018-06-14 to 2025-12-31). Observations were made with METER 10HS soil moisture sensors. To reduce bulk density related variability, 10HS sensors were placed inside mesh tubes filled with peat at a standard bulk density. The observations under standard bulk density represent relative differences in water content between hummock and hollow positions, and in response to experimental treatments. Productivity of peatlands, and their keystone species sphagnum, are highly dependent on water availability, which is affected by lateral inputs, precipitation, ground water depth and evapotranspiration. Knowledge of near surface and sphagnum water content is useful to understand peatland function. This dataset contains 8 data files in comma-separate values (.csv) format. Additional metadata are provided: one data dictionary and a file-level metadata file in comma-separate values (*.csv) format and a user guide in PDF (*.pdf) format.

Warren, Jeffrey [ORNL] (ORCID:0000000206804697)↗

NASA NTRS1973

Exchange of water vapor between the atmosphere and surface of Mars.

A model for exchange of water from the atmosphere to condensing CO2 caps is developed. The rate of water condensation in the caps is assumed to be proportional to the meridional heat flux. It follows that the amount of water condensed in the caps varies inversely with the amount of CO2 condensed. The seasonal phase of the release of water from the caps is not consistent with observed variations in the abundance of atmospheric water. Seasonal variations of atmospheric water abundance are most consistent with vapor exchange between the atmosphere and permafrost in the subtropics.

Leovy, C. B.↗

DOE OSTI2020

Vertical Transport of Water/Contaminant Due to Intermittent Water Influx on the Ground Surface of Vadose Zone - 20088

For movement of moisture and transport of contaminants in the vertical direction, two equations, the Richards equation and the advection-dispersion equation, are solved in a vadose zone for prescribed water and contaminant influx conditions at the ground surface. Two different boundary conditions are considered, one with a single peak of sinusoidal variation and four peaks of finite duration, each of which is sinusoidal in shape. The moisture migration is solved and then the contaminant transport, which is coupled to moisture movement, is solved. In the case of a single influx on the ground surface, at first the hydraulic head and moisture content show a peak. Then above the peak and below the ground surface, the peaks tend to die out, showing a tendency to return to the initial state. The vertical profile of concentration also shows a single peak, which soon becomes stagnant because downward water migration is faster than concentration profile movement. In the case of four intermittent array of peaks, the hydraulic head and moisture content profiles tend to merge and combine together. The concentration profiles show appearance of four peaks clearly. However, although the peak value of concentration remains quite constant, the values may vary with the sorption coefficient because of repeated influx of water and contaminant through the top boundary, the ground surface. The penetration depth decreases with an increasing sorption coefficient. (authors)

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1983

Observations of internal waves in the Gulf of California by SEASAT SAR

Internal waves which are among the most commonly observed oceanic phenomena in the SEASAT SAR imagery are discussed. These waves are associated with the vertical displacements of constant water density surfaces in the ocean. Their amplitudes are maximum at depths where the water density changes most rapidly usually at depths from 50 to 100 m, whereas the horizontal currents associated with these waves are maximum at the sea surface where the resulting oscillatory currents modulate the sea surface roughness and produce the signatures detected by SAR.

Fu, L. L.↗

DOE OSTI2026

Conus-Wide Mapping of Water Availability and Cost

Background: New demands for water can be satisfied through a variety of source options. In some basins surface and/or groundwater may be available through permitting with the state water management agency (termed unappropriated water), alternatively water might be purchased and transferred out of its current use to another (termed appropriated water), or non-traditional water sources can be captured and treated (e.g., wastewater). The relative availability and cost of each source are key factors in the development decision. Unfortunately, these measures are location dependent with no consistent or comparable set of data available for evaluating competing water sources. With the help of water managers, water availability was mapped for over 2500 watersheds throughout CONUS. These values are unique in that they account for institutional factors (i.e., water rights, compacts, treaties, instream flows) that locally limit water use. Five water sources were individually examined, including unappropriated surface water, unappropriated groundwater, appropriated water, municipal wastewater and brackish groundwater. Associated costs to acquire, convey and treat the water, as necessary, for each of the five sources were estimated. These metrics were developed to support regional water planning and policy analysis with initial application to electric transmission planning in the western US. Problem: These data were originally developed in 20141 and updated in 20182. New datasets on which these data depend have been published. As such, there is need to update the water availability and cost data. There is also need to map this same data to a county resolution and to publish the data in a more accessible place. Organization of the dataset: Data are organized according to five primary water sources: • Unappropriated fresh surface water • Unappropriated fresh groundwater • Appropriated water • Recycled wastewater, and • Brackish water

Tidwell, Vincent [Pacific Northwest National Labor↗

NASA NTRS1977

An Evaluation of Total Solar Reflectance and Spectral Band Ratioing Techniques for Estimating Soil Water Content

For several days in March of 1975, reflected solar radiation measurements were obtained from smooth and rough surfaces of wet, drying, and continually dry Avondale loam at Phoenix, Arizona, with pyranometers located 50 cm above the ground surface and a multispectral scanner flown at a 300-m height. The simple summation of the different band radiances measured by the multispectral scanner proved equally as good as the pyranometer data for estimating surface soil water content if the multispectral scanner data were standardized with respect to the intensity of incoming solar radiation or the reflected radiance from a reference surface, such as the continually dry soil. Without this means of standardization, multispectral scanner data are most useful in a spectral band ratioing context. Our results indicated that, for the bands used, no significant information on soil water content could be obtained by band ratioing. Thus the variability in soil water content should insignificantly affect soil-type discrimination based on identification of type-specific spectral signatures. Therefore remote sensing, conducted in the 0.4- to 1.0-micron wavelength region of the solar spectrum, would seem to be much More suited to identifying crop and soil types than to estimating of soil water content.

Reginato, R. J.↗

NASA NTRS1980

Inversion of multiwavelength radiometer measurements by three-dimensional filtering

Remote sensing data from satellites typically have three dimensions: scan position, spacecraft position, and wavelength. Inversion of the radiometric data to infer geophysical parameters is a filtering problem in which the dimension of wavelength (or channel number) is transformed into a dimension of geophysical parameters, and the most general solution is a three-dimensional filter. Linear filters have the advantages of computational speed and easily described transfer functions; but often the measurements are nonlinear functions of the parameters to be inferred. To the extent that the nonlinear inversion problem is overdetermined, it can be modeled by a critically determined linear problem. As an example, inversion of Scanning Multichannel Microwave Radiometer (SMMR) data by means of a three-dimensional Wiener Filter is described. Atmospheric water vapor content, rain liquid water content, surface wind speed and surface temperature are the parameters inferred from the measurements. Nonprecipitating liquid water and water vapor scale height are also modeled but not retrieved. The a priori statistics on which the filter is trained have the effect of governing the selection of a trade-off point of noise as a function of resolution (in all three retrieval dimensions).

Rosenkranz, P. W.↗

NASA NTRS1986

Evaluation of geophysical parameters measured by the Nimbus-7 microwave radiometer for the TOGA Heat Exchange Project

The data distributed by the National Space Science Data Center on the Geophysical parameters of precipitable water, sea surface temperature, and surface-level wind speed, measured by the Scanning Multichannel Microwave Radiometer (SMMR) on Nimbus-7, are evaluated with in situ measurements between Jan. 1980 and Oct. 1983 over the tropical oceans. In tracking annual cycles and the 1982-83 E1 Nino/Southern Oscillation episode, the radiometer measurements are coherent with sea surface temperatures and surface-level wind speeds measured at equatorial buoys and with precipitable water derived from radiosonde soundings at tropical island stations. However, there are differences between SMMR and in situ measurements. Corrections based on radiosonde and ship data were derived supplementing correction formulae suggested in the databook. This study is the initial evaluation of the data for quantitative description of the 1982-83 E1 Nino/Southern Oscillation episode. It paves the way for determination of the ocean-atmosphere moisture and latent heat exchanges, a priority of the Tropical Ocean and Global Atmosphere (TOGA) Heat Exchange Program.

Liu, W. Timothy↗

NASA NTRS2013

Extensive Liquid Meltwater Storage in Firn Within the Greenland Ice Sheet

The accelerating loss of mass from the Greenland ice sheet is a major contribution to current sea level rise. Increased melt water runoff is responsible for half of Greenlands mass loss increase. Surface melt has been increasing in extent and intensity, setting a record for surface area melt and runoff in 2012. The mechanisms and timescales involved in allowing surface melt water to reach the ocean where it can contribute to sea level rise are poorly understood. The potential capacity to store this water in liquid or frozen form in the firn (multi-year snow layer) is significant, and could delay its sea-level contribution. Here we describe direct observation of water within a perennial firn aquifer persisting throughout the winter in the southern ice sheet,where snow accumulation and melt rates are high. This represents a previously unknown storagemode for water within the ice sheet. Ice cores, groundairborne radar and a regional climatemodel are used to estimate aquifer area (70 plue or minus 10 x 10(exp 3) square kilometers ) and water table depth (5-50 m). The perennial firn aquifer represents a new glacier facies to be considered 29 in future ice sheet mass 30 and energy budget calculations.

meltwater↗

NASA NTRS2016

Regolith Volatile Recovery at Simulated Lunar Environments

Lunar Polar Volatiles: Permanently shadowed craters at the lunar poles contain water, 5 wt according to LCROSS. Interest in water for ISRU applications. Desire to ground truth water using surface prospecting e.g. Resource Prospector and RESOLVE. How to access subsurface water resources and accurately measure quantity. Excavation operations and exposure to lunar environment may affect the results. Volatile capture tests: A series a ground based dirty thermal vacuum tests are being conducted to better understand the subsurface sampling operations. Sample removal and transfer. Volatiles loss during sampling operations. Concept of operations, Instrumentation. This presentation is a progress report on volatiles capture results from these tests with lunar polar drill prototype hardware.

thermal vacuum tests↗