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DOE OSTI2024

In Situ Liquid Electron Microscope Cells Strongly Attenuate Electrochemical Behavior

In situ electrochemical Scanning Transmission Electron Microscopy (ec-S/TEM) probes the dynamics of electrochemical processes in real time and at high spatial resolution. This method utilizes microfabricated electrochemical cells, with enclosed dimensions of 800 μm wide, 800 μm long, and 1–2 μm tall, with electron-transparent silicon nitride windows. Working, counter, and reference electrodes in the configuration studied are deposited Pt with a planar surface area of about 1 μm 2 and a height of 50 nm. The cell confines the electrolyte within a 1 μm tall channel, and the microfabricated electrodes have a non-standard geometry, are coplanar, and are not front-facing. As such, standard assumptions of electrochemical experiments do not apply. COMSOL modeling was used to compare and contrast differences in electrochemical behavior between conventional experimental setups and the in situ ec-S/TEM cells. Cell height strongly affected voltammogram measurements: peak magnitudes and shifts correlate directly to cell height. Reactant concentration above the electrode quickly decreases during deposition, leading to a planar diffusion-dominated regime. The concentration gradient prioritizes particle growth along the thin edges of the electrode and not on the planar part of the electrode. Experiments done in the ec-S/TEM ex situ of a TEM verify the model’s accuracy.

Wittman, Reed M. [Oak Ridge National Laboratory (O↗

DOE OSTI2025

Videos, photos, and AI-derived grain size data associated with “High-throughput AI Video Surveys Enable Reproducible Multiscale Sediment Size Mapping, with Implications for Hydrobiogeochemical Parameterization”

NOTE: The manuscript associated with this data package is currently in review. The data may be revised based on reviewer feedback. Upon manuscript acceptance, this data package will be updated with the final dataset and additional metadata. This data package is associated with the manuscript “High-throughput AI Video Surveys Enable Reproducible Multiscale Sediment Size Mapping, with Implications for Hydrobiogeochemical Parameterization” under review. This data package includes five data types: 1) raw photos and videos from drone survey and walking smartphone surveys; 2) images derived from raw videos; 3) manual labeling of reference scales; 4) metadata for all images and photo resolution derived from artificial intelligence (AI) models or manual labels, 5) grain size data obtained from AI models for all photos, 6) metadata and grain size data after quality control, 7) summaries of sample efficiency for all data, and 8) computational fluid dynamics (CFD) data used to support hydro-biogeochemical (HBGC) parameter estimation. Such data is used to 1) demonstrate significant improvements in accuracy, efficiency, and quality control for grain size data collection with the help of AI models, 2) study the spatial heterogeneity of grain size and observation reproducibility based on tens of thousands of data points generated by the AI models, and 3) evaluate the impacts of grain size heterogeneity on key HBGC parameters across sediment-to-reach and hourly-to-yearly scales. In particular, the data package contains 116 folders and 179696 files. The files include 41 videos in .mov format, 64047 photos in .jpg format, 13541 video-derived photos in .png format, 12747 segmentation mask data in .tif format, 12747 segmentation data in .json format, 24771 .csv files that with metadata and grain size for each individual photo as well as water depth and velocity data from CFD and observation, 51791 .txt files of raw AI predicted labels, and 11 flight record data in .srt format. The summary for all metadata and grain size statistics information is included in “Scales_V3_NG.csv” and “Statistics_V3_NG.csv”. The summary for data that pass data quality control (QC) level 0-2 is included in “QCStatistics_V3_NG.csv”. The QC level 0 represents photos whose photo resolution is positive, excluding photos that miss reference scale. The QC level 1 means reference scale circularity uncertainty is less than 5% for smartphone images while representing photo resolution is larger than 0.44 mm/pixel for drone images. The QC level 2 means excluding photos whose grain number is less than 100, a minimum number of grains recommended by classic literature. The summary for each video’s name, length, frame rates, survey area, grain number, survey efficiency, etc. can be found in “QCSummary_V3_NG.csv”. The summary for site name, GPS coordinates, and number of images at each site can be found in “SitesSummary_V3_*.csv” files. Overall computational efficiency summary is reported in Table 4 of accompanying manuscript. Additionally, the nitrate concentration data used in this work was downloaded from an existing dataset published on ESS-DIVE (Boat-Dragged Sensor Hanford Reach.csv; Conner A. et al., 2020). We thank the United States Forest Service, Washington Department of Fish and Wildlife, Washington Department of Natural Resources, Cowiche Canyon Conservatory, Port of Benton, and the Confederated Tribes and Bands of the Yakama Nation for access to field locations where the data were collected. We also thank the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate data collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Generating Co-expression Networks for Three Cyanobacteria: Synechococcus sp. PCC 7942, Synechococcus sp. PCC 7002, Synechocystis sp. PCC 6803

Cyanobacteria are photosynthetic organisms capable of high growth rate and represent a promising bioplatform for harnessing the sun’s energy to make biofuel. Additionally, the process of photosynthesis absorbs CO2 from the environment. Understanding the metabolic processes involved in photosynthesis could lead to solutions to the recent rise of CO2 concentration in Earth’s atmosphere and the associated climate change. More research on the transcriptional regulation of these cells is needed to learn how to harness the untapped potential of cyanobacteria for these applications. Transcriptional analysis via RNA-seq provides an understanding of how gene expression changes at the mRNA level under diverse growing conditions. I systematically collected and analyzed RNA-Seq data obtained under a variety of conditions and available on the NCBI database for three cyanobacteria model organisms: Synechococcus elongatus sp. PCC 7942, Synechococcus sp. PCC 7002, and Synechocystis sp. PCC 6803. For each organism, the data was mapped to a reference genome to characterize the RNA expression profile. Samples were checked for quality based on the number of reads and the correlation of the expression profile between labeled replicates. All samples were transformed into transcripts per million reads, followed by a log transformation to account for the wide range of sample sizes. Gene co-expression networks were generated and analyzed for each species using Cytoscape. These networks provide a base level of gene expression for each species. The network topology and high-betweeness nodes of these networks need to be analyzed further to provide insight on potential ways to harness cyanobacteria genetics. Additionally, these datasets can be used together to form a core genome network analysis- one that includes only the genes that are homologous between the three species. This project has prepared the way for a more in-depth study on photosynthetic microbes on a genetic level.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2007

An Experimental Approach to Understanding the Optical Effects of Space Weathering

The creation and accumulation of nanophase iron (npFe(sup 0)) is the primary mechanism by which spectra of materials exposed to the space environment incur systematic changes referred to as "space weathering." The optical effects of this npFe(sup 0) on lunar soils are well documented. Space weathering though, should occur on the surface of any planetary body that is not protected by an atmosphere. There is no reason to assume that cumulative space weathering products throughout the solar system will be the same as those found in lunar soils. In fact, these products are likely to be very dependent on the specific environmental conditions under which they were produced. We have prepared a suite of analog soils to explore the optical effects of npFe(sup 0). By varying the size and concentration of npFe(sup 0) in the analogs we found significant systematic changes in the Vis/NIR spectral properties of the materials. Smaller npFe(sup 0) (<10 nm in diameter) dramatically reddens spectra in the visible wavelengths while leaving the infrared region largely unaffected. Larger npFe(sup 0) (>40 nm in diameter) lowers the albedo across the Vis/NIR range with little change in the overall shape of the continuum. Intermediate npFe(sup 0) sizes impact the spectra in a distinct pattern that changes with concentration. The products of these controlled experiments have implications for space-weathered material throughout the inner solar system. Our results indicate that the lunar soil continuum is best modeled by npFe(sup 0) particles with bulk properties in the approx.15-25 nm size range. Larger npFe0 grains result in spectra that are similar in shape to the Mercury continuum. The continuum of S-type asteroid spectra appear to be best represented by small amounts of npFe(sup 0) that is similar to, but slightly smaller on average, than the npFe(sup 0) in lunar soils (approx.10-15 nm).

Noble, Sarah K.↗

DOE OSTI2020

Evaluation of phenolic antioxidant capacity in beverages based on laccase immobilized on screen-printed carbon electrode modified with graphene nanoplatelets and gold nanoparticles

A simple and highly sensitive electrochemical biosensor based on laccase immobilized onto a gold nanoparticles/graphene nanoplatelets-modified screen-printed carbon electrode (LACC/AuNP/GNPl/SPCE) was developed for the determination of hydroquinone (HQ) and other phenolic compounds. The biosensor shows excellent electro-catalytic activity towards oxidation of hydroquinone at a potential of -0.05 V (vs Ag/AgCl, 3 M KCl) in phosphate buffer as supporting electrolyte (0.1 M, pH 7.0) using hydrodynamic amperometry. Analytical characteristics uncover that the LACC/AuNP/GNPl/SPCE comprises a wide linear range for the dependence of the signal on HQ concentrations from 4 to 130 µM with a detection limit (3σ) of 1.5 µM. The repeatability (5 measurements, 100 µM hydroquinone) is ±2% and the reproducibility (5 biosensors, 100 µM hydroquinone) is ±3%. Interference studies of most common compounds with the determination of hydroquinone demonstrated negligible effects. Finally, the biosensor and the analytical method were applied to the determination of phenolic antioxidant capacity (AOC) in wine and blueberry syrup based on Trolox (6‑hydroxy‑2,5,7,8-tetramethylchromane-2-carboxylic acid) and hydroquinone equivalents. The results were evaluated by using their calibration curves which were satisfactory and agreed well with the results obtained by the reference method Trolox Equivalent Antioxidant Capacity assay (TEAC-Assay).

60 APPLIED LIFE SCIENCES↗

NASA NTRS1996

Carbon dioxide exchange of lettuce plants under hypobaric conditions

Growth of plants in a Controlled Ecological Life Support System (CELSS) may involve the use of hypobaric pressures enabling lower mass requirements for atmospheres and possible enhancement of crop productivity. A controlled environment plant growth chamber with hypobaric capability designed and built at Ames Research Center was used to determine if reduced pressures influence the rates of photosynthesis (Ps) and dark respiration (DR) of hydroponically grown lettuce plants. The chamber, referred to as a plant volatiles chamber (PVC), has a growing area of about 0.2 m2, a total gas volume of about 0.7 m3, and a leak rate at 50 kPa of <0.1%/day. When the pressure in the chamber was reduced from ambient to 51 kPa, the rate of net Ps increased by 25% and the rate of DR decreased by 40%. The rate of Ps increased linearly with decreasing pressure. There was a greater effect of reduced pressure at 41 Pa CO2 than at 81 Pa CO2. This is consistent with reports showing greater inhibition of photorespiration (Pr) in reduced O2 at low CO2 concentrations. When the partial pressure of O2 was held constant but the total pressure was varied between 51 and 101 kPa, the rate of CO2 uptake was nearly constant, suggesting that low pressure enhancement of Ps may be mainly attributable to lowered partial pressure of O2 and the accompanying reduction in Pr. The effects of lowered partial pressure of O2 on Ps and DR could result in substantial increases in the rates of biomass production, enabling rapid throughput of crops or allowing flexibility in the use of mass and energy resources for a CELSS.

NASA Program CELSS↗

DOE OSTI2024

Integrating crystallographic and computational approaches to carbon-capture materials for the mitigation of climate change

Here, this article presents an overview of the current state of the art in the structure determination of microporous carbon-capture materials, as discussed at the recent NIST workshop “Integrating Crystallographic and Computational Approaches to Carbon-Capture Materials for the Mitigation of Climate Change”. The continual rise in anthropogenic CO 2 concentration and its effect on climate change call for the implementation of carbon capture technologies to reduce the CO 2 concentration in the atmosphere. Porous solids, including metal–organic frameworks (MOFs), are feasible candidates for gas capture and storage applications. However, determining the structure of these materials represents a significant obstacle in their development into advanced sorbents. The existing difficulties can be overcome by integrating crystallographic methods and theoretical modeling. The workshop gathered experimentalists and theorists from academia, government, and industry to review this field and identify approaches, including collaborative opportunities, required to develop tools for rapid determination of the structures of porous solid sorbents and the effect of structure on the carbon capture performance. We highlight the findings of that workshop, especially in the need for reference materials, standardized procedures and reporting of sorbent activation and adsorption measurements, standardized reporting of theoretical calculations, and round-robin structure determination.

36 MATERIALS SCIENCE↗

NASA NTRS2005

Thermodynamic Effect of Platinum Addition to beta-NiAl: An Initial Investigation

An initial investigation was conducted to determine the effect of platinum addition on the activities of aluminum and nickel in beta-NiAl(Pt) over the temperature range 1354 to 1692 K. These measurements were made with a multiple effusion-cell configured mass spectrometer (multi-cell KEMS). The results of this study show that Pt additions act to decreased alpha(Al) and increased the alpha(Ni) in beta-NiAl(Pt) for constant X(sub Ni)/X(sub Al) approx. = 1.13, while at constant X(sub Al) the affect of Pt on Al is greatly reduced. The measured partial enthalpies of mixing indicate Al-atoms have a strong self interaction while Ni- and Pt-atoms in have similar interactions with Al-atoms. Conversely the binding of Ni-atoms in beta-NiAl decreases with Pt addition independent of Al concentration. These initial results prove the technique can be applied to the Ni-Al-Pt system but more activity measurements are required to fully understand the thermodynamics of this system and how Pt additions improved the scaling behavior of nickel-based superalloys. In addition, with the choice of a suitable oxide material for the effusion-cell, the "closed" isothermal nature of the effusion-cell allows the direct investigation of an alloy-oxide equilibrium which resembles the "local-equilibrium" description of the metal-scale interface observed during high temperature oxidation. It is proposed that with an Al(l) + Al2O3(s) experimental reference state together with the route measurement of the relative partial-pressures of Al(g) and Al2O(g) allows the activities of O and Al2O3 to be determined along with the activities of Ni and Al. These measurements provide a direct method of investigating the thermodynamics of the metal-scale interface of a TGO-scale.

Source record↗

DOE OSTI2020

The Influence of Alkalinity on the Uptake of Cs{sup +} and Sr{sup 2+} by Cation-substituted Natisites in Sodium-bearing Conditions - 20336

The titanosilicate natisite (Na{sub 2}TiSiO{sub 5}) is a kinetic phase of the mineral sitinakite (Na{sub 2}Ti{sub 2}O{sub 3}SiO{sub 4}.2H{sub 2}O), which is a reference material in the removal of Cs and Sr from radioactive high-level waste. Natisite is disregarded in the literature as a candidate sorbent for Cs and Sr, despite being more thermally stable than sitinakite, which is a critical property for this application. Replacing portion of the Ti in natisite by other metals is believed to enhance natisite sorption properties. In nuclear waste remediation, Cs and Sr are contained in high-salinity liquid wastes that can either be highly acidic or alkaline. In the present study, Al-, Sn-, and Zr-natisites were synthesized, and compared to pure natisite and sitinakite in batch experiments. Five concentrations of NaOH and NaNO{sub 3} (i.e. source of Na{sup +}) mimicking conditions of high alkalinity, and competing Na{sup +} ions, respectively, were evaluated. Sorption results demonstrate that sitinakite is generally more effective than all four natisites in removing Cs and Sr. However, sitinakite uptake mechanism seems to deteriorate at increasing concentrations of base and Na{sup +}. Although less selective than sitinakite, all natisite sorbents provided a less dramatic decline in Cs and Sr uptake through increasing molarities. Overall, there was an improvement in the sorption of Cs and Sr by the metal-substituted materials over natisite and, in neither of the testing solutions, natisite outperformed its substituted variants. In highly alkaline solutions, Sn- and Zr-Natisite provided for exceptional removal for Sr, removing more than twice the amount sorbed by sitinakite at 0.1 M NaOH. The results obtained for Sr uptake by all four natisite materials in alkaline solutions are promising, especially considering the highly alkaline nature of wastes from the nuclear industry. Future studies should investigate the sorption mechanisms responsible for natisite selectivity for Sr at high pH. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS2007

Heat Transfer and Pressure Drop in Concentric Annular Flows of Binary Inert Gas Mixtures

Studies of heat transfer and pressure drop of binary inert gas mixtures flowing through smooth concentric circular annuli, tubes with fully developed velocity profiles, and constant heating rate are described. There is a general lack of agreement among the constant property heat transfer correlations for such mixtures. No inert gas mixture data exist for annular channels. The intent of this study was to develop highly accurate and benchmarked pressure drop and heat transfer correlations that can be used to size heat exchangers and cores for direct gas Brayton nuclear power plants. The inside surface of the annular channel is heated while the outer surface of the channel is insulated. Annulus ratios range 0.5 < r* < 0.83. These smooth tube data may serve as a reference to the heat transfer and pressure drop performance in annuli, tubes, and channels having helixes or spacer ribs, or other surfaces.

Reid, R. S.↗

NASA NTRS2012

Climate Models

Climate models is a very broad topic, so a single volume can only offer a small sampling of relevant research activities. This volume of 14 chapters includes descriptions of a variety of modeling studies for a variety of geographic regions by an international roster of authors. The climate research community generally uses the rubric climate models to refer to organized sets of computer instructions that produce simulations of climate evolution. The code is based on physical relationships that describe the shared variability of meteorological parameters such as temperature, humidity, precipitation rate, circulation, radiation fluxes, etc. Three-dimensional climate models are integrated over time in order to compute the temporal and spatial variations of these parameters. Model domains can be global or regional and the horizontal and vertical resolutions of the computational grid vary from model to model. Considering the entire climate system requires accounting for interactions between solar insolation, atmospheric, oceanic and continental processes, the latter including land hydrology and vegetation. Model simulations may concentrate on one or more of these components, but the most sophisticated models will estimate the mutual interactions of all of these environments. Advances in computer technology have prompted investments in more complex model configurations that consider more phenomena interactions than were possible with yesterday s computers. However, not every attempt to add to the computational layers is rewarded by better model performance. Extensive research is required to test and document any advantages gained by greater sophistication in model formulation. One purpose for publishing climate model research results is to present purported advances for evaluation by the scientific community.

Druyan, Leonard M.↗

DOE OSTI2021

Literature Data on Foam Fracturing Fluid

At the beginning of this project, the Temple team spent significant effort to collect data relevant to foam fracturing. More than 40 articles/reports were found in the open literature that reported the properties of aqueous foams under various testing conditions. The foam properties included viscosity and stability in terms of half-life, while were influenced by the foam quality, shear rate, temperature, pressure, as well as surfactants and additives used in making the foam base solutions. As a result, more than 1100 data points were collected, which are included in a master worksheet named "Literature data on Foam Fracturing Fluid". These data points are organized based on following parameters: 1. Literature source, including authors and publication year 2. Gaseous phase (e.g. CO2, N2) 3. Liquid phase (e.g. tap water, DI water, salt water) 4. Surfactants and their concentrations 6. Additives 7. Foam quality 8. Pressure 9. Temperature 10. Viscosity 11. Foam stability, which was characterized by its half-life: Half-life Foam study data base with data analysis was completed and a webpage is designed hosted on public server at https://surfactant-dashboard.herokuapp.com

15 GEOTHERMAL ENERGY↗

NASA NTRS1981

Numerical models for Halley dust environments

The algebra, parameter values, and results of a reference model for the dust environment of Comet P/Halley are presented. The model employs simplified treatments of the icy conglomerate nucleus and of the hydrodynamic outflow of gas and dust. The model includes a gas production rate derived from observations of Halley's visual magnitude in 1910, gas and dust flux nonuniformly distributed over the nuclear surface, a dust distribution function consistent with large particle inferences from comet antitails, dust density variable with mass, and an approximation to the distribution of particles near the dust envelope. Many parameter values are derived by analogy with the results for other comets. The features are incorporated in a computer program which calculates the concentration, flux, and fluence of dust particles as functions of time, position and particle mass.

Divine, N.↗

NASA NTRS2016

Reduced-Gravity Measurements of the Effect of Oxygen on Properties of Zirconium

The influence of oxygen on the thermophysical properties of zirconium is being investigated using MSL-EML (Material Science Laboratory - Electromagnetic Levitator) on ISS (International Space Station) in collaboration with NASA, ESA (European Space Agency), and DLR (German Aerospace Center). Zirconium samples with different oxygen concentrations will be put into multiple melt cycles, during which the density, viscosity, surface tension, heat capacity, and electric conductivity will be measured at various undercooled temperatures. The facility check-up of MSL-EML and the first set of melting experiments have been successfully performed in 2015. The first zirconium sample will be tested near the end of 2015. As part of ground support activities, the thermophysical properties of zirconium and ZrO were measured using a ground-based electrostatic levitator located at the NASA Marshall Space Flight Center. The influence of oxygen on the measured surface tension was evaluated. The results of this research will serve as reference data for those measured in ISS.

Zhao, J.↗

DOE OSTI2020

A pyrolysis study of allylic hydrocarbon fuels

The pyrolysis of selected C 3 –C 5 allylic hydrocarbons has been studied using a single-pulse shock tube. A new single-pulse shock tube has been designed and constructed by recommissioning an existing conventional shock tube. This facility enables the investigation of high-temperature chemical kinetics with an emphasis on combustion chemistry. The modifications performed on the existing shock tube are described, and the details of the sampling system to analyze the species concentration using a gas chromatography-mass spectrometry-flame ionization detection (GC-MS with a flame ionization detector) system are also provided. This facility is characterized and validated by performing cyclohexene pyrolysis experiments. Furthermore, the performance of the shock tube is demonstrated by reproducing previous literature measurements on the pyrolysis of isobutene. Postvalidation, this setup is used to study the pyrolysis of trans-2-butene and 2-methyl-2-butene (2M2B). A newly developed mechanism, NUIGMech1.0, is used to simulate the experimental data of propene, isobutene, 2-butene, and 2M2B, allylic hydrocarbon fuels. A description using two different kinetic simulation approaches is provided using our isobutene experiments as a reference. We found no significant differences between the two methods. Additionally, the contribution of different reaction classes on fuel consumption is detailed and the influence of geometry on fuel consumption and first aromatic ring: benzene is discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

An Algal Nutrient‐Replete, Optimized Medium for Fast Growth and High Triacylglycerol Accumulation

Microalgae are promising sources to sustainably meet the global needs for energy and products. Algae grow under different trophic conditions, where nutritional status regulates biosynthetic pathways, energy production, and growth. The green alga Chromochloris zofingiensis has strong economic potential because it co-produces biofuel precursors and the high-value antioxidant astaxanthin while accumulating biomass when grown mixotrophically. As an emerging reference alga for photosynthesis, metabolism, and bioproduction, C. zofingiensis needs a defined, optimized medium to standardize experiments during fast growth for batch cultivation. Because the interplay of glucose treatment (+Glc) and mineral deficiency influences photosynthesis, growth, and the production of lipids and astaxanthin, we designed a replete nutrient medium tailored to the C. zofingiensis cellular ionome. We combined inductively coupled plasma mass spectrometry (ICP-MS) and +Glc growth curves to determine a medium that is nutrient replete for at least 5 days of +Glc logarithmic growth. We found that there are high nutritional needs for phosphorus and sulfur during mixotrophy. Iron was the only element measured for which the cellular concentration correlated with exogenous concentration and was iteratively adjusted until the cellular ionome was consistent through the logarithmic growth phase. This Chromochloris-Optimized Ratio of Elements (CORE) medium supports fast growth and high biomass and lipid accumulation without causing excess nutrient toxicity. This defined, nutrient-replete standard is important for future C. zofingiensis investigations and can be adapted for other species to support high biomass for batch cultivation. The method used to develop CORE medium shows how ionomics informs replicable media design and may be applied in industrial settings to inform cost-effective biofuel production.

Jeffers, Tim L. [University of California, Berkele↗

DOE OSTI2021

Numerical study of the chemo-mechanical behavior of FEBEX bentonite in nuclear waste disposal based on the Barcelona expansive model

Experimental studies show that compacted bentonite used as a backfill material for nuclear waste repository experiences strong coupling between chemical and mechanical processes. Here, we use a dual-structure expansive soil model, referred to as the Barcelona Expansive Model (BExM), to predict the behavior of bentonite buffer in subsurface emplacement tunnels for high-level radioactive waste. After emplacement, the bentonite is subjected to complex and coupled Thermal-Hydraulic-Mechanical-Chemical (THMC) processes. The BExM constitutive model is implemented in a multi-phase reactive transport and geomechanics simulator, TOUGHREACT-FLAC3D, and the model is verified with one benchmark test on FEBEX bentonite. We utilize a one-way Chemo-Mechanical (C-M) coupling approach, in which chemical changes affect the mechanical behavior of bentonite through the BExM linked with the evolution of mass fraction of smectite, exchangeable cation concentration, and ionic strength via osmotic suction. The parameters of the new coupled model for FEBEX bentonite are calibrated against a series of laboratory experiments with various salinity solutions. Finally, coupled THMC modeling is conducted for a generic argillite repository with bentonite buffer under high temperature, focusing on the long-term chemical change and its effect on the mechanical process.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Trap Passivation for Reducing On-Resistance and Saturation Voltage in Wafer-Bonded InGaAs-Channel/GaN-Drain Vertical FETs

High frequency and high power are the driving forces behind semiconductor transistor technology. However, conventional devices have the tradeoff of either being high speed or high breakdown—but not both. Wafer-bonded current aperture vertical electron transistors (BAVETs) help eliminate the tradeoff by combining a high-speed III-As channel to a high-breakdown III-N drift region. The device presented herein comprises of an InAlAs gate-barrier/InGaAs channel, wafer-bonded to an InGaN/GaN drift region, with the InGaAs/InGaN interface referred to as the wafer-bonded interface (WBI). The electronic behavior of WBIs is yet less known but necessary in realizing the potential of a BAVET. Herein, strong trap activity at the WBI is shown to be the cause of abnormally high saturation voltage ( V DS_SAT ) in BAVETs. The traps cause unintentional space charge (SC) region in the drain region of the device. This causes a drain resistance, a higher ON-resistance ( R ON ), and a higher V DS_SAT . Here, the challenge is overcome by hydrogen passivation of traps at WBI by using a p-doping for the InAlAs layer, which reduces the trap-charge concentration at the WBI. Consequently, the width of the SC region is reduced and a reduction in V DS_SAT is demonstrated, wherein it reduces from >12 to 5 V.

36 MATERIALS SCIENCE↗