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DOE OSTI2023

Temperature Dependence of Low‐Frequency Noise Characteristics of NiO x /β‐Ga 2 O 3 p–n Heterojunction Diodes

Temperature dependence of the low-frequency electronic noise in NiO x /β-Ga 2 O 3 p–n heterojunction diodes is reported. The noise spectral density is of the 1/f-type near room temperature but shows signatures of Lorentzian components at elevated temperatures and at higher current levels (f is the frequency). It is observed that there is an intriguing non-monotonic dependence of the noise on temperature near T = 380 K. The Raman spectroscopy of the device structure suggests material changes, which results in reduced noise above this temperature. The normalized noise spectral density in such diodes is determined to be on the order of 10 −14 cm 2 Hz −1 (f = 10 Hz) at 0.1 A cm −2 current density. In terms of the noise level, NiO x /β-Ga 2 O 3 p–n diodes perform excellently for new technology and occupy an intermediate position among devices of various designs implemented with different ultra-wide-bandgap semiconductors. The obtained results are important for understanding the electronic properties of NiO x /β-Ga 2 O 3 heterojunctions and contribute to the development of noise spectroscopy as the quality assessment tool for new electronic materials and device technologies.

1/f noise↗

DOE OSTI2026

Atomic Evolution of Hydrogen Intercalation Wave Dynamics in Palladium Nanocrystals Revealed by Liquid-Phase Transmission Electron Microscopy

Solute-intercalation-induced phase separation creates spatial heterogeneities in host materials, a phenomenon ubiquitous in batteries, hydrogen storage, and other energy devices. Despite many efforts, probing intercalation processes at the atomic scale has been a significant challenge. By utilizing liquid-phase transmission electron microscopy (TEM), we study hydrogen (de)intercalation in palladium nanocrystals as a model system and have achieved unprecedented atomic-resolution imaging of hydrogen intercalation wave dynamics. Our observations reveal that intercalation wave mechanisms, instead of shrinking-core mechanisms, prevail at ambient temperature for palladium nanocubes ranging from ∼60 nm down to ∼10 nm. Systematic image analysis uncovers the atomic evolution of the hydrogen intercalation wave, transitioning from nonplanar and inclined boundaries to those closely aligned with {100} planes. Our kinetic Monte Carlo simulations demonstrate that the observed intercalation wave dynamics correspond to sorption pathways minimizing the lattice mismatch strain at the phase boundary. In conclusion, unveiling the atomic intercalation pathways holds profound implications for engineering intercalation-mediated devices and advancements in energy sciences.

Lee, Daewon [Lawrence Berkeley National Laboratory↗

DOE OSTI2027

A multi-region approach for the analysis of porous materials and gas-solid reactions using USAXS-SAXS-WAXS: application to CaO carbonation

The reaction rate of gas-solid non-catalytic reactions is typically investigated using reactant conversion data over time and ex-situ measurements of the porous solid reactant textural properties; these data enable the experimental estimation of the initial intrinsic reaction rate, whereas the evolution of the textural properties and the reaction rate over time are evaluated theoretically using reaction models. In this work, a different methodology is presented, based on: a) in-situ time-resolved USAXS-SAXS-WAXS measurements of the solid sample, and b) a multi-region modeling approach; this methodology allows for the estimation of the textural properties and the intrinsic reaction rate at any time during the reaction. Referring to a reaction in which a solid product is obtained from a solid reactant and a gaseous reactant, the porous particle is described as consisting of several distinct regions with different microstructural properties, and both a gas-solid reaction model and a SAXS model are derived and applied to the carbonation of porous CaO. The proposed reaction model highlights the role of the inaccessible reactant and accurately predicts the solid reactant conversion versus time profile. The SAXS model accurately predicts the measured linear trends of the Porod invariant and of the pre-factor of the power law scattering profile versus CaO mass fraction; in the absence of chemical reactions, the proposed equations extend classical SAXS theory to porous materials containing macropores and nonporous solid phases in addition to standard nanoscale inhomogeneous regions.

CO2 solid sorbents↗

DOE OSTI2026

Enhanced Preparation for Intelligent Cybermanufacturing Systems (EPICS)

Opportunities exist for realizing transformative advances in productivity and reductions in energy footprint through ubiquitous sensing in manufacturing environments. Enhanced Preparation for Intelligent Cybermanufacturing Systems (EPICS) is a 21-month (4 academic semesters, plus one summer) experience for graduate students that focuses on scaling the knowledge, understanding and leadership skills in the cyber manufacturing area. Masters students (8/year, 32 total) complete 2-year projects on industrially-driven project topics, rotating to internships in summer semester to work on scoping and implementation at project partners. Students complete academic training in embedded systems, process modeling, data science, and cloud-based systems design. Their projects are targeted toward sensor retrofit, process monitoring, root cause analysis, and sensor fusion.

Advanced Manufacturing↗

DOE OSTI2026

Electron-Deficient Phenazines: Synthesis, Structures, Redox, and Optoelectronic Properties in the Gas Phase, in Solution, and in the Solid State

High-temperature gas-phase reactions of 1,4-C4F8I2 with phenazine (PHNZ) afforded new thermally- and air-stable derivatives with cyclo-C4F8 substituents, viz. 1,2-PHNZ(C4F8), 2,3-PHNZ(C4F8), 1,2:6,7-PHNZ(C4F8)2, 1,2:7,8-PHNZ(C4F8)2, and 1,2:8,9-PHNZ(C4F8)2. Reactions in the presence of Cu powder resulted in reductive-defluorination/aromatization of some of the cyclo-C4F8 substituents to produce 2,3-PHNZ(C4F4), 2,3-PHNZ(C4HF3), and 1,2:6,7-PHNZ(C4F8)(C4F4), which are formally tri- or tetrafluoro derivatives of benzo[a]phenazine. Single-crystal X-ray diffraction structures of these compounds demonstrate the planarity of 2,3-PHNZ(C4F4) and 2,3-PHNZ(C4HF3) and ordered p-stacking in 1,2-PHNZ(C4HF3), 1,2-PHNZ(C4F4), 1,2-PHNZ(C4F8), and 2,3-PHNZ(C4F8). Low-temperature gas-phase photoelectron spectra of the PHNZ(C4F8)1,2 compounds show that they are strong electron acceptors, with the three PHNZ(C4F8)2 isomers having electron affinities exceeding that of C60. Cyclic voltammetry in acetonitrile show that the five PHNZ(C4F8)1,2 compounds exhibit reversible one-electron reductions with large positive shifts in their reduction potentials relative to unsubstituted PHNZ. Spectroelectrochemical absorption and EPR spectra of PHNZ(C4F8)1,2- • anion radicals and extensive DFT calculations revealed the significant role that the different substitution patterns have on determining the optoelectronic properties of the PHNZ(C4F8)1,2 derivatives and PHNZ(C4F8)1,2- • anion radicals. Time-resolved microwave conductivity measurements and photoluminescence spectra of blends of the PHNZ(C4F8)1,2 derivatives with the donor poly(3-hexylthiophene) (P3HT) were recorded to assess the possible use of the new compounds in optoelectronic devices.

Balser, Sebastian↗

DOE OSTI2026

Gas permeation properties of amorphous zeolitic imidazolate framework membranes made by atomic/molecular layer deposition

Amorphous metal-organic framework (MOF) membranes are desirable because they may retain some of the molecular sieving properties of their crystalline counterparts while being free of grain boundary defects, which often hinder the consistent achievement of high membrane performance. However, current methods, like melting and compression, for fabricating amorphous MOF membranes involve multi-step processes that require the formation of a crystalline membrane first, that is then amorphized, and therefore, could be challenging to scale. Here, we utilize atomic/molecular layer deposition (ALD/MLD) of diethylzinc (DEZ) and 2-methylimidazole (2mIm) to directly synthesize ultrathin amorphous zeolitic imidazolate framework (aZIF) deposits on γ-alumina-coated α-alumina supports. As the number of ALD/MLD cycles increased from 10 to 300, gas permeances decreased while ideal selectivities increased. Mixture separation factors for C3H6/C3H8, CO2/N2, and H2/C3H8 as high as 4, 37, and 194, respectively, were obtained. At 200 °C and 2.5 bar equimolar feed of H2 and C3H8, a H2/C3H8 mixture separation factor of 185 is obtained with an H2 permeance of ca. 4.15x10-8 mol/m2-s-Pa (124 GPU). Additionally, the membrane achieves a CO2/N2 mixture separation factor of 37 at 25 °C and 1 bar with a CO2 permeance of ca. 3.96x10-8 mol/m2-s-Pa (118 GPU). Considering the vast array of compositionally distinct aZIFs that can be potentially deposited by this approach, an enormously large parameter space for membrane design is emerging to be explored.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Development of Hydrogen Burner for FT4000® Aeroderivative Engine - Final Report

This report details an effort to develop a retrofittable fuel/air injector for the FT4000® aeroderivative gas turbine that enables use of hydrogen as a carbon-free fuel for efficient power generation. The FT4000 engine’s low-NOx combustor was developed by Pratt & Whitney and RTX Technology Research Center with core technology from the Pratt & Whitney PW4000 turbofan aircraft engine. The current FT4000 production engine operates on either natural gas or No. 2 fuel oil with water injection to achieve high thermal efficiency and low emissions. This engine is fielded by Mitsubishi Power Aero and delivers 70 MW of power with a simple-cycle efficiency of over 41% when operating with wet compression. The work reported here advances the technology readiness level of the FT4000 combustor for operation with hydrogen, starting with an experimental assessment of the current production hardware with increasing hydrogen content mixed with natural gas and ending with improved nozzle concepts for fully robust operation with 100% hydrogen. High-pressure single-sector combustor rig tests have been completed, demonstrating the ability for the dual fuel nozzle to operate an FT4000 combustor on 100% hydrogen with low nitrogen oxide (NOx) emissions. Metal temperature measurements and video images of the flame structure from zero to 100% hydrogen highlight opportunities to improve the fuel nozzle robustness for high hydrogen conditions. The design of new fuel/air mixer concepts to improve durability and operability with high hydrogen levels was also completed. A total of eleven new concepts were developed and analyzed, ranging from modifications to the bill-of-materials nozzle to fully clean sheet designs. The concepts were evaluated with non-reacting and reacting flow evaluations to assess the performance of the new hardware designs. Non-reacting tests included Phase Doppler Particle Analysis (PDPA) for droplet size and velocity, mechanical patternation for liquid water flux, and planar laser induced fluorescence (PLIF) with acetone-seeding for gaseous fuel/air mixing characterization. Five scaled candidate fuel nozzle designs, in addition to a scaled bill-of-materials nozzle, were then successfully evaluated in an atmospheric pressure burner rig. The nozzles were evaluated for performance with natural gas, hydrogen/natural gas blends, and pure hydrogen. For 100% hydrogen, the nozzles were evaluated with and without water injection. Optical and infrared imaging of the flame and fuel nozzle was captured. NOx emissions were sampled from fixed emissions probes. The results show measurable differences between the various designs, and the data was used to down-select the two most promising designs to advance to future full pressure rig testing. Results from this study have cleared the current production FT4000 engines with dual fuel nozzles to operate at baseload power on blends of hydrogen mixed with natural gas and water. Two promising nozzle designs have been developed to enable fully robust operation with up to 100% hydrogen. These nozzles require validation at full baseload operating conditions before they can be introduced to the field.

03 NATURAL GAS↗

NASA NTRS1961

Research Summary No. 36-8 for the Period February 1, 1961 to April 1, 1961

The Research Summary is a report of supporting research and development activities at the Jet Propulsion Laboratory, California Institute of Technology. This bimonthly periodical is usually published in two volumes. However, for this issue, all the material has been combined into one volume. To foster a more rapid interchange of original ideas and information throughout the scientific and technical community, all authors' names have been added as bylines to the material they contributed.

Telecommunication↗

DOE OSTI2026

Domestically Manufactured Fuel Cells for Heavy Duty Applications

This project, funded by the U.S. Department of Energy under Award DE-EE0009248, advances the domestic development of fuel-cell stack technologies for heavy-duty transportation applications. The work directly supports the Million-Mile Fuel Cell Truck (M2FCT) initiative by improving performance, durability, and manufacturability—key requirements for next-generation hydrogen fuel-cell systems.

08 HYDROGEN↗

NASA NTRS1998

Advanced Non-Intrusive Instrumentation for Propulsion Engines

Changes in engine technology such as higher temperatures, higher tip speeds, new metal/composite/ceramic materials together with radical changes in design philosophy will require amongst other prerequisites the ability to measure and to monitor key internal gas and structural characteristics. The symposium papers presented non-intrusive measurement and analysis technologies in the following categories: Laser Point Measurements (11); Absorption and Infrared Techniques (4); Paints - Surface Sensors (6); Laser Induced Fluorescence (6); Mechanical (7); Films (5); Laser Planar Measurement (9); and a Keynote Address.

Propulsion↗

NASA NTRS2026

Dynamic Regulation of Sub-Atmospheric Pressure for Constant and Cyclic Gas Loads During Testing of Spacesuit Components

New iterations of the various subsystems within the spacesuit will benefit from a new sorbent technology. For example, sorbents used in the Trace Contaminant Control (TCC) and the Rapid Cycle Amine (RCA) systems within the Exploration Portable Life Support System (xPLSS), part of the Extra-Vehicular Mobility Unit (xEMU). For proper validation, the sub-atmospheric pressure needs to be maintained within a simulated 2 ft 3 spacesuit volume. The traditional approach, which involves placing the entire vent loop within a hypobaric chamber, is not practical for the widespread testing of components and prototypes, as these specialized chambers are costly and not widely available. A two-stage regulator based sub-atmospheric pressure system is presented in this work. The method regulates the pressure based on pressure differentials between the pressure regulation pump, the test system, and the ambient environment. The performance of this system is demonstrated using data collected during a 150+ hour non-regenerative TCC sorbent evaluation, several 24-hour regenerative TCC sorbent evaluations with different regeneration cycles, and an 8-hour RCA sorbent evaluation, all under xEMU operating conditions. For regulation, the inlet regulator was set to propagate a small leak to increase the stability of the system as the gas load from the testing system changes. It was also found that controlling the input flow rate that replaces the material lost during regeneration is critical for ensuring the stability of the system. This system provided excellent pressure regulation, without adjustments, for constant loads during shorter time evaluations (hours), while longer time evaluations (days) are easily obtainable with periodic regulator adjustments. A second method is under development to address longer-term stability and to automate pressure regulation. It will incorporate flow and pressure measurements to dynamically control a set of electronically controlled proportional valves for adjusting the pumping speed and air bleed supply.

Nicholas F Materer↗

NASA NTRSDate not supplied

Time-History Statistics of Soot Formation in A Model Gas Turbine Combustor

Soot formation is a complex dynamic and intermittent process determined by properties of the fuel, combustor design, and combustor operation. Although the major steps in soot formation (i.e., formation of precursors, inception, growth and evolution) are similar for a variety of carbonaceous fuels, applications, and operating conditions, it remains unclear when the temporal transition between these steps occurs. An engineering prediction tool coupled with computational fluid physics (CFD), therefore needs to accurately model all these complex steps. To develop such a model, we propose the time-history concept for understanding the time dependency of soot formation as a function of local properties (i.e., temperature, velocity, local fuel air ratio, etc.). We continue our previous work with modeling the DLR aero-combustor [1] with our updated in-house CFD code, Open National Combustion Code (OpenNCC), that now includes a Multiple Time-Scale Flamelet Progress Variable approach and a the semi-empirical two-equation soot model. We injected massless tracer particles upstream of the injector region of the combustor to collect time-history statistics of the solution variables. The correlations between the collected statistics with respect to the experimental soot volume fraction data showed that time-history effect of certain flow variables, including turbulent kinetic energy (TKE), and multiple species is indeed important for soot formation. We then conducted a time-history based correlation analysis to determine the key species and the concentration ranges critical for soot formation (C6H5-based nucleation, acetylene-based surface growth, and oxidation with OH and O2). Based on the time-history correlation coefficient (THCC) analysis, we propose possible modifications to improve the current two-equation model.

LES↗

NASA NTRS2026

SCOAPE-II: A 2024 Multiplatform Measurement Campaign off the US Gulf Coast to Assess Oil and Gas Emissions on the Outer Continental Shelf

Nine years ago, the Department of Interior’s Bureau of Ocean Energy Management (BOEM), the Agency with Air Quality (AQ) jurisdiction over the Outer Continental Shelf (OCS) of the US Gulf Coast west of 87.5° W longitude, asked NASA to determine the feasibility of using satellite data to measure offshore emissions in a region of concentrated oil and natural gas (ONG) operations. To study this issue NASA and BOEM conducted the May 2019 Satellite Coastal and Oceanic Atmospheric Pollution Experiment (SCOAPE) cruise in the Gulf. SCOAPE addressed both technological and scientific issues related to measuring nitrogen dioxide (NO 2 , a common air pollutant), including contrasting near-shore and deepwater regimes. Given the April 2023 launch of the geostationary Tropospheric Emissions: Monitoring of Pollution (TEMPO) AQ satellite, a 2024 SCOAPE-II was conducted in the Gulf with both ship and aircraft measurements. We present an overview of the SCOAPE-II campaign, analysis and validation of satellite-observed NO 2 , and evaluate measurements of methane from ship, aircraft, and satellite near ONG platforms. Our SCOAPE-II results are as follows: 1) Satellite NO 2 measurements (∼13:30 local time) from the TROPOspheric Monitoring Instrument (TROPOMI) are more accurate than TEMPO’s hourly scans (8.6% vs. 23.6% mean absolute bias); a new version of TEMPO data is currently being processed; 2) ship and aircraft measurements captured dozens of NO 2 and methane plumes from ONG operations, showing that they are persistent emitters; 3) satellite measurements of methane failed to replicate ship and aircraft measurements, presenting ongoing challenges for operational emissions monitoring over the Gulf.

satellite validation↗

NASA NTRS2026

Organic Inventory - Planetary Protection on the Moon

All spacecraft generate and carry contaminants, i.e., unwanted and potentially harmful material. When a spacecraft lands and operates in vacuum, as onto Earth’s Moon, it introduces contaminants into its environment that may compromise mission science objectives and engineering performance. Contamination may degrade sites of unique value to planetary science or in situ resource utilization. This presentation will identify and compare source terms and transport vectors for contaminants – in particular, organic material – generated by landed spacecraft. An integrated modeling framework for the organic contamination footprint of spacecraft missions will be described and presented.

Planetary Protection↗

DOE OSTI2026

Scalable multiplexed machine learning gas sensor chips for food classification

Multiplexed gas sensor arrays combined with machine learning have unlocked previously inaccessible applications for scent-based sensing. Current platforms are limited by overlapping sensing materials with similar compositions, leading to highly correlated responses, or multistep deposition processes that hinder scalability. In this work, we developed a 16-element monolithic chip with fully distinct sensing layers, enabling a truly heterogeneous array. The system consists of highly sensitive carbon nanotube field effect transistors that are functionalized through a single-step microdispensing method compatible with automated pipetting systems. The resulting chip produces characteristic signal patterns in response to object-specific scent profiles and, when combined with machine learning algorithms, can perform automated object identification. We demonstrate the classification of 16 different objects, including food spoilage and nut allergens, with a 92.6% overall prediction accuracy.

Bassil, Carla [University of California, Berkeley,↗

NASA NTRS2026

The Contaminant Footprint of Landed Spacecraft: Toward an Inventory and Modelling Framework

Gas Dynamics↗

NASA NTRS1995

RTE: A Computer Code for Rocket Thermal Evaluation

The numerical model for a rocket thermal analysis code (RTE) is discussed. RTE is a comprehensive thermal analysis code for thermal analysis of regeneratively cooled rocket engines. The input to the code consists of the composition of fuel/oxidant mixture and flow rates, chamber pressure, coolant temperature and pressure. dimensions of the engine, materials and the number of nodes in different parts of the engine. The code allows for temperature variation in axial, radial and circumferential directions. By implementing an iterative scheme, it provides nodal temperature distribution, rates of heat transfer, hot gas and coolant thermal and transport properties. The fuel/oxidant mixture ratio can be varied along the thrust chamber. This feature allows the user to incorporate a non-equilibrium model or an energy release model for the hot-gas-side. The user has the option of bypassing the hot-gas-side calculations and directly inputting the gas-side fluxes. This feature is used to link RTE to a boundary layer module for the hot-gas-side heat flux calculations.

Mohammad H N Naraghi↗

DOE OSTI2025

Fluidized Bed Gasification For Conversion of Biomass and Waste Materials to Renewable Hydrogen

This project was undertaken in order to study the potential for hydrogen production, at low cost, from mixtures of biomass and municipal solid waste (MSW). This approach allows for the production of hydrogen with a very low fossil carbon burden, while taking advantage of tipping fees (associated with MSW) to improved process economics. The team sourced three primary feedstocks (wood, MSW, and waste plastics) and characterized them comprehensively using established techniques with a long track record in the field of gasification. All three primary feedstocks were highly reactive and lost most of their mass during initial devolatilization. The production of tars, including heavy tars, was quite high, and was most problematic in the case of the MSW and Waste Plastics feedstocks. Little practical difference was identified between the MSW and Waste Plastics materials, and the addition of bed-forming materials (dolomite and brown alumina) to the feedstocks was found to reduce production of tars during devolatilization under thermogravimetric analysis and/or Fischer Assay conditions. A series of four tests in a lab-scale bubbling-fluidized-bed gasifier, at 50 psig of pressure and about 825 C, confirmed these findings. Pellet feedstocks, broken into fragments, were used for these tests, and pellets comprised of 50% MSW and 50% biomass were found to be the best option in terms of fossil carbon burden, economic potential, and gasification characteristics. Tests were then undertaken in a pilot-scale gasifier facility based on the GTI U-Gas fluidized-bed gasification technology. The feedstock handling train of the 20 TPD U-Gas pilot-scale gasifier located in Des Plaines, IL, was operated under simulated gasification conditions, and the 50/50 pellets were found to be very robust and unproblematic. An improved design for the forward end of the feedstock injection screw of the gasifier was developed and installed. The design approach was based on improved passive cooling of the front-most shroud at the end of the screw, since this approach was found in comprehensive modeling studies to be more than sufficient to accomplish the project objectives associated with this phase of the work, while also avoiding thermal gradients that could have caused heat-stress-induced damage to the refractory around the feedstock inlet if an active cooling approach had been applied. Careful technoeconomic analysis (TEA) of two possible 1000 TPD facilities was carried out. The TEA of conversion of MSW with corn stover in one case, and MSW with woody feedstock in the other case, showed that both had the potential to provide hydrogen at about $1/kg (minimum selling price, 2018 dollar basis). Of the two TEA cases, the one that was based on the conversion of wood in the southeastern USA was found to have slightly better economic potential. The other TEA case was based on a real location in Nebraska and called for corn stover feedstock conversion along with MSW. An underserved communities outreach program plan was developed in cooperation with personnel from the Nebraska Public Power District.

08 HYDROGEN↗