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DOE OSTI2025

High-resolution characterization of ceramic-metal interface of TiN coating on ferritic-steels for nuclear application

Advanced fuel cladding is critical for fast reactors, offering sufficient thermal conductivity, mechanical and dimensional stability and radiation tolerance of the cladding base material. Additionally, it must provide corrosion resistance and high temperature coolant compatibility on the cladding outer surface, as well as chemical stability on the cladding inner wall against fuel cladding chemical interaction (FCCI). TiN ceramic coating has been considered an effective diffusion barrier for inner and outer cladding-walls for enhanced performance. The TiN-metal interface microstructure and chemistry play a critical role in coating bond strength and integrity under harsh conditions. High-resolution transmission electron microscopy characterization of ceramic-metal interface at atomic resolution in unirradiated, irradiated and thermal cycled conditions were performed. The interface remained intact after irradiation up to 200 dpa or thermal cycling five times up to 550 °C. In conclusion, this work discusses the potential impact of these results on coating performance and design for advanced claddings.

36 - MATERIALS SCIENCE↗

DOE OSTI2025

Steady state radiolysis–polyhalide accumulation products [Poster]

The study of steady-state radiolysis of polyhalides is crucial as it simulates the prolonged radiation exposure that materials (e.g., alloys, molten salts) experience in reactor environments. This research provides valuable insights into the long-term effects on material properties, chemical stability, and structural integrity. It is closely linked with fundamental radiation chemistry, which aids in predicting the chemical behavior of accumulation products. Understanding the initial speciation, yield, and chemical evolution of radiolysis products is essential for managing material degradation, controlling corrosion, and ensuring reactor safety.

36 - MATERIALS SCIENCE↗

DOE OSTI2024

Influence of Joule Heating on the Stability of High Temperature Irradiation Resistant Thermocouples

Development of in-core instrumentation is driven by the pursuit of safer and more economic energy production from both existing nuclear reactors and Generation IV reactor designs. Idaho National Laboratory (INL) has developed high temperature irradiation resistant thermocouples (HTIR-TCs) for temperature sensing inside Generation IV nuclear reactors. These thermocouples are composed of phosphorus-doped niobium (Nb-P) and lanthana-doped molybdenum (Mo-LaO) thermoelements, an alumina (Al2O3) insulation, and a niobium sheath. HTIR-TCs require an initial heat treatment exceeding the maximum service temperature to stabilize the generated electromotive force (EMF) signal; however, the mechanism behind this stabilization is not well understood. This work evaluates the impact of Joule heating on the thermoelements' microstructures, chemical stability, and mechanical properties to determine the mechanisms by which the EMF signal stabilization occurs. Accordingly, during the Joule heat treatment, a secondary Nb3P phase coarsened along the length of the Nb-P thermoelement, along with the formation of an interaction region at the Al2O3/niobium interface. The interaction between the alumina insulation and the Nb-P thermoelement was also observed within the Mo-LaO thermoelement. Joule heating induced stability within the generated EMF signal of HTIR-TCs through the formation of secondary phases within the Nb-P and the interaction of the alumina insulation with the thermoelements.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

DOE OSTI2026

Identifying Suitable Front Contacts for High‐Efficiency Cd(Se,Te) Solar Cells on Space‐Qualified Cover Glass

Deployment of photovoltaics in space requires devices that combine high-efficiency, low areal mass, and resilience to harsh environments. Historically, high-efficiency multijunction III–V materials have dominated space power systems; however, their high cost and limited manufacturing throughput motivate the exploration of scalable alternatives. While CdTe-based thin-film photovoltaics offer an attractive option, their performance on non-conventional substrates can suffer from front contact instability under higher-temperature processing. Here, the role of front contact chemistry in limiting cell performance is investigated using CdTe-based devices fabricated on 150 μm thick Ceria-doped space-qualified 0214 Corning glass. A matrix of four transparent conducting oxides (TCOs: CTO, AZO, ITO, IZO) combined with two n-type emitters (MZO, IGO) reveals chemical stability at the front interface—rather than absorber composition alone—governs recombination losses, voltage deficits, and device reproducibility. Chemically stable front contact combinations suppress elemental diffusion and interfacial degradation, resulting in significantly improved carrier lifetimes and junction quality. These insights are validated through record-certified Cd(Se,Te) cell efficiencies of 18.4% under AM1.5G and 16.2% under AM0 illumination on ultra-thin glass. Beyond CdTe, this work provides a general framework for the rational selection of TCO/emitter interfaces in superstrate thin-film photovoltaics, including emerging technologies like metal halide perovskites, while enabling high-efficiency, lightweight photovoltaics for space applications.

14 SOLAR ENERGY↗

DOE OSTI2026

Data Associated with "Identifying Suitable Front Contacts for High-Efficiency Cd(Se,Te) Solar Cells on Space-Qualified Cover Glass"

This is data associated with the publication " Identifying Suitable Front Contacts for High-Efficiency Cd(Se,Te) Solar Cells on Space-Qualified Cover Glass " by Aesha P. Patel, Ryan Muzzio, Matthew R. Young, Robert Morrissey, Suresh Chaulagain, B. Edward Sartor, Prabodika N. Kaluarachchi, Christian Velez, Joshua A. Brown, Joel N. Duenow, Stephen Glynn, Michael J. Heben, Zhaoning Song, Nikolas J. Podraza, Adam B. Phillips, Randy J. Ellingson, Matthew O. Reese. All data associated with each figure in the manuscript and supplementary should be available in this dataset. A readme file is also included to provide some guidance. Abstract: Deployment of photovoltaics in space requires devices that combine high-efficiency, low areal mass, and resilience to harsh environments. Historically, high-efficiency multijunction III–V materials have dominated space power systems; however, their high cost and limited manufacturing throughput motivate the exploration of scalable alternatives. While CdTe-based thin-film photovoltaics offer an attractive option, their performance on non-conventional substrates can suffer from front-contact instability under higher-temperature processing. Here, the role of front-contact chemistry in limiting cell performance is investigated using CdTe-based devices fabricated on 150 μm thick Ceria-doped space-qualified 0214 Corning glass. A matrix of four transparent conducting oxides (TCOs: CTO, AZO, ITO, IZO) combined with two n-type emitters (MZO, IGO) reveals chemical stability at the front interface—rather than absorber composition alone—governs recombination losses, voltage deficits, and device reproducibility. Chemically stable front-contact combinations suppress elemental diffusion and interfacial degradation, resulting in significantly improved carrier lifetimes and junction quality. These insights are validated through record-certified Cd(Se,Te) cell efficiencies of 18.4% under AM1.5G and 16.2% under AM0 illumination on ultra-thin glass. Beyond CdTe, this work provides a general framework for the rational selection of TCO/emitter interfaces in superstrate thin-film photovoltaics, including emerging technologies like metal halide perovskites, while enabling high-efficiency, lightweight photovoltaics for space applications.

14 SOLAR ENERGY↗

DOE OSTI2024

Influence of Joule Heating on the Stability of High Temperature Irradiation-resistant Thermocouples

Development of in-core instrumentation is driven by the pursuit of safer, more economic energy production from the perspective of both existing nuclear reactors and Generation IV reactor designs. Idaho National Laboratory has developed high-temperature irradiation-resistant thermocouples (HTIR-TCs) for temperature sensing inside Generation IV nuclear reactors. These thermocouples are composed of phosphorus-doped niobium (Nb-P) and lanthana-doped molybdenum (Mo-LaO) thermoelements, an alumina (Al2O3) insulation, and a niobium sheath. HTIR-TCs require an initial heat treatment exceeding the maximum service temperature to stabilize the generated electromotive force (EMF) signal. The mechanism behind the stabilization of the HTIR-TCs through traditional heat treatment methods is understood; however, the traditional heat treatment method is expensive, time consuming, and results in a heterogeneous microstructure. Therefore, we investigated a rapid method for stabilization and microstructure homogeneity, through Joule heating. This work evaluates the impact of Joule heating on the thermoelements’ microstructures, chemical stability, and mechanical properties so as to determine the mechanisms by which stabilization of the EMF signal occurs. Accordingly, during the Joule heat treatment, a secondary Nb3P phase coarsened along the length of the Nb-P thermoelement, along with the formation of an interaction region at the Al2O3/niobium interface. The interaction between the alumina insulation and the Nb-P thermoelement was also observed within the Mo-LaO thermoelement. Joule heating induced stability within the generated HTIR-TC EMF signal via the formation of secondary phases within the Nb-P and the interaction between the alumina insulation and the thermoelements.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

DOE OSTI2026

Cyclic olefin copolymer-based reinforced anion exchange membranes for water electrolyzers

Anion exchange membranes (AEMs) have emerged as a promising technology for water electrolysis in hydrogen production since they offer significant cost reduction in choices of electrocatalysts and bipolar plates. However, AEMs satisfying multiple requirements of high ionic conductivity, good chemical stability, robust mechanical properties, scalable synthesis, and low manufacturing costs are rare. Herein, we introduce quaternary ammonium functionalized cyclic olefin copolymers (COCs) as a new class of chemically stable and low-cost AEM materials. To further enhance the mechanical robustness, we prepared reinforced composite AEMs by impregnating the ionically functionalized COC into a mechanically robust matrix. The resulting reinforced composite membrane exhibits a high hydroxide conductivity of 127 mS cm −1 and excellent mechanical strength. In water electrolyzers, the MEA demonstrated outstanding performance, achieving a current density of 2.24 A cm −2 at 1.8 V, attributable to high conductivity, enhanced mechanical properties, and good alkaline stability of the composite membrane. These results indicate that the COC-based AEMs demonstrate good potential for application in AEM electrolyzers.

08 HYDROGEN↗

NASA NTRS2009

Stability of Pharmaceuticals in Space

Stability testing is a tool used to access shelf life and effects of storage conditions for pharmaceutical formulations. Early research from the International Space Station (ISS) revealed that some medications may have degraded while in space. This potential loss of medication efficacy would be very dangerous to Crew health. The aim of this research project, Stability of Pharmacotherapeutic Compounds, is to study how the stability of pharmaceutical compounds is affected by environmental conditions in space. Four identical pharmaceutical payload kits containing medications in different dosage forms (liquid for injection, tablet, capsule, ointment and suppository) were transported to the ISS aboard a Space Shuttle. One of the four kits was stored on that Shuttle and the other three were stored on the ISS for return to Earth at various time intervals aboard a pre-designated Shuttle flight. The Pharmacotherapeutics laboratory used stability test as defined by the United States Pharmacopeia (USP), to access the degree of degradation to the Payload kit medications that may have occurred during space flight. Once these medications returned, the results of stability test performed on them were compared to those from the matching ground controls stored on Earth. Analyses of the results obtained from physical and chemical stability assessments on these payload medications will provide researchers additional tools to promote safe and efficacious medications for space exploration.

Nguyen, Y-Uyen↗

DOE OSTI2025

Tunable Stabilization of Cuprous Ions via Kinetic and Thermodynamic Control of Cu Electrodeposition in Non-Aqueous Media

In this work, significant stabilization of Cu + ions is achieved in non-aqueous electrolytes containing TFSI - and Cl - anions with diglyme as solvent. When Cl - is absent, stabilization of Cu + occurs due to the very low stability constant of Cu 2+ in diglyme. However, in the presence of relatively low Cl - concentrations (i.e., equimolar relative to Cu 2+ ), both Cu + and Cu 2+ form extremely stable Cu 2+ / + [Cl - ] complexes resulting in a similar to 1200 mV negative shift of the Cu + /0 redox couple relative to that of more easily reduced Cu + [TFSI - ][Cl - ] complexes. Furthermore, these results suggest that the lower solvation energies and wider electrochemical stability windows of non-aqueous solvents relative to water enable anions to play a much more significant role in guiding complexation behavior-providing new possibilities for (electro)chemical stabilization of reactive intermediates and highlighting the wealth of unexplored opportunities for electrolyte design in non-aqueous systems.

Anion Association↗

NASA NTRS1994

High-Hot-Strength Ceramic Fibers

Continuous fibers consisting of laminae of alumina and yttrium aluminum garnet offer exceptionally high strength, resistance to creep, and chemical stability at high temperatures. These fibers exceed tensile strength of sapphire fibers. Leading candidates for reinforcement of intermetallic-matrix composites in exhaust nozzles of developmental high-speed civil transport aircraft engines. Other applications are in aerospace, automotive, chemical-process, and power-generation industries.

Sayir, Ali↗

DOE OSTI2026

Chemical bonding, phase stability and magnetic property in Sm 2 Fe 17 X 3 (X=H, C, N): A first-principles perspective

As a promising alternative to Nd–Fe–B magnets, the critical rare earth free Sm 2 Fe 17 X 3 (X = C, N) exhibits potential for high-performance magnets. However, their poor phase stability remains a major obstacle to developing bulk magnets. We investigated the phase stability and intrinsic magnetic properties of Sm 2 Fe 17 X 3 (X = H, C, N) using first-principles calculations and chemical bond analysis. The formation energies are negative, while the decomposition energies are −1.53, 0.348, and −0.74 eV per formula unit for X = H, C, and N, respectively, which is responsible for the weak thermal stability. Our chemical bond analysis reveals that the bonding asymmetry between Sm–X and Fe–X interactions creates local structural distortions and degrades the phase stability of Sm 2 Fe 17 X 3 . The project Crystal Orbital Hamilton Population (-pCOHP) analysis indicates that the Sm–X bonding remains positive up to the Fermi level, indicating stable bonding interactions. Here, in contrast, the Fe–X bonding becomes negative near the Fermi level, signifying anti-bonding contributions that reduce structural stability. Interstitial atoms X expand the lattice and enhance Fe magnetic moments, but Fe–X bonding suppresses neighboring Fe moments. Electron transfer from Sm to X modifies the valence state of Sm and the crystal field at the site, contributing to enhanced magnetocrystalline anisotropy in Sm 2 Fe 17 X 3 . Among the interstitial elements, carbon and nitrogen—with their larger atomic radius and higher electronegativity—induce greater lattice expansion and form stronger bonds with neighboring Sm and Fe atoms compared to hydrogen. Consequently, Sm 2 Fe 17 X 3 (X = C and N) exhibits better phase stability and significant improvement in magnetic properties.

Chemical bonding↗

NASA NTRS2012

Comparison of Four Strong Acids on the Precipitation Potential of Gypsum in Brines During Distillation of Pretreated, Augmented Urine

In this study, three different mineral acids were substituted for sulfuric acid (H2SO4) in the urine stabilizer solution to eliminate the excess of sulfate ions in pretreated urine and assess the impact on maximum water recovery to avoid precipitation of minerals during distillation. The study evaluated replacing 98% sulfuric acid with 85% phosphoric acid (H3PO4), 37% hydrochloric acid (HCl), or 70% nitric acid (HNO3). The effect of lowering the oxidizer concentration in the pretreatment formulation also was studied. This paper summarizes the test results, defines candidate formulations for further study, and specifies the injection masses required to stabilize urine and minimize the risk of mineral precipitation during distillation. In the first test with a brine ersatz acidified with different acids, the solubility of calcium in gypsum saturated solutions was measured. The solubility of gypsum was doubled in the brines acidified with the alternative acids compared to sulfuric acid. In a second series of tests, the alternative acid pretreatment concentrations were effective at preventing precipitation of gypsum and other minerals up to 85% water recovery from 95th-percentile pretreated, augmented urine. Based on test results, phosphoric acid is recommended as the safest alternative to sulfuric acid. It also is recommended that the injected mass concentration of chromium trioxide solution be reduced by 75% to minimize liquid resupply mass by about 50%, reduce toxicity of brines, and reduce the concentration of organic acids in distillate. The new stabilizer solution formulations and required doses to stabilize urine and prevent precipitation of minerals up to 85% water recovery are given. The formulations in this study were tested on a limited number of artificially augmented urine batches collected from employees at the Johnson Space Center (JSC). This study successfully demonstrated that the desired physical and chemical stability of pretreated urine and brines can be achieved using alternate pretreatment formulations under laboratory conditions. Additional testing and hazard assessments will be required to determine the feasibility of utilizing the proposed urine pretreatment formulations on ISS.

Muirhead, Dean↗

DOE OSTI2024

Physical vapor deposition of organic glasses (Final Report)

As of 2009, when this project began, it had been established that physical vapor deposition (PVD) could produce high density and high stability (“ultrastable”) glasses of two organic molecules. With this project, we established that ultrastability was a quite general result for PVD glasses of organic molecules and, in particular, for the organic semiconductors used to produce organic light emitting diodes (OLEDs). We established that ultrastable glasses have enhanced photochemical and chemical stability, and increased resistance to crystallization. We developed a temperature-gradient deposition stage to more efficiently screen the properties of PVD glasses. We established that PVD glasses are usually anisotropic and that this anisotropy can be controlled. We characterized the unusual transformation mechanism of PVD glasses, which superficially is more similar to crystals than liquid-cooled glasses. In the most recent grant cycle, we extended these results to co-deposition of two organic semiconductors, showing that mixed PVD glasses of these systems usually showed ultrastability and high density; in two cases, co-deposition results in component segregation, and deposition conditions can be adjusted to control domain size. In our work since 2009, we established that the surface equilibration mechanism can successfully explain almost all of the properties of PVD glasses, and that this mechanism can provide useful predictions regarding stability and anisotropy.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Anomalous softening of 3D printed elastomeric foam irradiated under compressive strain

Elastomeric foam is an essential component in many industrial and technological settings, primarily as thermal insulators and as positional/mechanical support cushions. In particular, silicone foam is utilized in harsh environments due to exceptional thermal and chemical stability. Under service conditions within certain applications such material gets exposed to a high dosage of gamma radiation, which can permanently alter the material’s structural and mechanical response properties. Most studies on gamma-exposure under inert or oxidative atmosphere indicate hardening of silicone foam, which is attributed to radiation-induced enhancement in chemical cross-linking. Here we report two contrasting effects depending on whether (non-oxidative) radiation exposure is carried out with the foam under zero or finite compressive strain. While in the former case we observe radiation-hardening consistent with previous studies, in the latter case (50% porous foam under 30% uniaxial compression) we see a monotonic decrease in Young’s modulus with increasing dosage, although solvent swelling experiments on the constituent rubber indicate a net increase in cross-link density independent of the state of strain. We quantitatively model all dose-dependent data using the Ogden Hyperfoam strain-energy function within the framework of Tobolsky two-network scheme and attribute the above anomaly to a combined effect of radiation-induced thickness change (compression set) and inherent nonlinearity in the foam’s stress-strain response.

Coarse-grained models↗

NASA NTRS2000

Novel High Gas-Temperature Calibration System Demonstrated

Accurate measurement of high gas temperatures, typically above 1300 K, has always presented challenges to researchers. Thermocouples often perturb the local gas flow and temperature field; they provide indirect information; and at high temperatures, they require large corrections so that actual gas temperatures can be determined. The physical and chemical stability of thermocouples to withstand the thermal loads and reactive environments prevailing at high temperatures naturally limits their life and maximum use temperature. Optical systems have their own drawbacks since accurate results depend on well-characterized emissivity, optical thickness, and gas composition information. These properties are rarely well known, especially in high-temperature, chemically reacting environments. In addition, optical systems usually require independent calibrations, which often involve the use of thermocouples, and hence, suffer from their aforementioned limitations. A new technique developed by researchers at the NASA Glenn Research Center at Lewis Field exploits an abrupt increase in the emittance of optically thin materials at their unique melting temperatures for a direct determination of gas temperature. Pure metallic-oxide fibers, varying in diameter from 60 to 400 mm, have been used in measurements over a temperature range of 2050 to 2700 K. The accuracy and reproducibility of the technique is estimated to be 15 K: that is, within the uncertainty in the melting points of the materials. Other fiber materials with different, but unique, melting points could be used to extend the technique over a larger temperature range.

Gokoglu, Suleyman A.↗

NASA NTRSDate not supplied

ExMC Ground-Based Space Radiation Analog Pilot Drug Stability Studay: Final Data Review

Uncertainty regarding space radiation effects on medication degradation and potency remains high, though early data suggest that space radiation may affect the potency and quality of some pharmaceuticals. In the absence of empirical spaceflight measurements to characterize this risk area for long-duration planetary missions, high-fidelity ground-based targeted radiation analogs could provide valuable insights. The NASA Human Research Program's (HRP) Exploration Medical Capability (ExMC) Element conducted a pilot study to characterize the chemical stability of four selected medications exposed to rapid switching, mixed-species simulated galactic cosmic radiation (GCR) beams at the NASA Space Radiation Laboratory (NSRL), at Brookhaven National Laboratory (BNL). The research objective was to compare the effects of simulated GCR beam exposures on drug stability to those previously observed following spaceflight.

Vernie R Daniels↗

NASA NTRS1998

Computational Chemistry and Lubrication

Members of NASA Lewis Research Center's Tribology and Surface Science Branch are applying high-level computational chemistry techniques to the development of new lubrication systems for space applications and for future advanced aircraft engines. The next generation of gas turbine engines will require a liquid lubricant to function at temperatures in excess of 350 C in oxidizing environments. Conventional hydrocarbon-based lubricants are incapable of operating in these extreme environments, but a class of compounds known as the perfluoropolyether (PFAE) liquids (see the preceding illustration) shows promise for such applications. These commercially available products are already being used as lubricants in conditions where low vapor pressure and chemical stability are crucial, such as in satellite bearings and composite disk platters. At higher temperatures, however, these compounds undergo a decomposition process that is assisted (catalyzed) by metal and metal oxide bearing surfaces. This decomposition process severely limits the applicability of PFAE's at higher temperatures. A great deal of laboratory experimentation has revealed that the extent of fluid degradation depends on the chemical properties of the bearing surface materials. Lubrication engineers would like to understand the chemical breakdown mechanism to design a less vulnerable PFAE or to develop a chemical additive to block this degradation.

Zehe, Michael J.↗

DOE OSTI2025

Metal–Organic Frameworks for Per- and Polyfluoroalkyl Substances Treatment in Contaminated Water

Per- and polyfluoroalkyl substances (PFAS) are synthetic pollutants known for their chemical stability, environmental persistence, and toxicological risks. Their widespread use has led to extensive contamination, particularly in aquatic systems. Conventional treatment methods often face challenges such as high energy consumption and the production of secondary pollutants. Metal− organic frameworks (MOFs), with their high surface areas and tunable structures, have emerged as promising materials for PFAS remediation. This review summarizes recent progress in MOF-based PFAS adsorption and degradation, highlighting key frameworks such as MIL, UiO, and ZIF. Mechanistic insights into adsorption behavior and regeneration capabilities are discussed, along with the catalytic performance of MOF composites and postmodified systems in degradation pathways. The review concludes with design strategies for next-generation MOF materials aimed at efficient, sustainable PFAS removal under realistic conditions.

Adsorption↗