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NASA NTRS2005

Thermo-Physical Properties of Intermediate Temperature Heat Pipe Fluids

Heat pipes are among the most promising technologies for space radiator systems. The paper reports further evaluation of potential heat pipe fluids in the intermediate temperature range of 400 to 700 K in continuation of two recent reports. More thermo-physical property data are examined. Organic, inorganic, and elemental substances are considered. The evaluation of surface tension and other fluid properties are examined. Halides are evaluated as potential heat pipe fluids. Reliable data are not available for all fluids and further database development is necessary. Many of the fluids considered are promising candidates as heat pipe fluids. Water is promising as a heat pipe fluid up to 500 to 550 K. Life test data for thermo-chemical compatibility are almost non-existent.

Beach, Duane E.↗

DOE OSTI2026

Solubility-limited depolymerization kinetics in the glycolysis of carbonyl-containing polymers

Chemical recycling of condensation polymers is often rationalized on the basis of the intrinsic reactivity of ester and carbonate functional groups. However, under heterogeneous conditions relevant to plastic waste processing and environmental degradation, bulk depolymerization rates often diverge from trends predicted by homogeneous chemistry. Here, we investigate how polymer–solvent compatibility, catalyst strength, and phase behavior govern the heterogeneous glycolysis of carbonyl-containing polymers. Using poly(ethylene terephthalate) (PET), glycol-modified PET (PETG), and bisphenol-A polycarbonate (PC) as model systems, we examine depolymerization kinetics at 180 °C with ethylene glycol and bisphenol A as diols under both amphoteric organosalt (TBD : MSA) and strong base (TBD) catalysis. Despite substantial differences in crystallinity and glycol uptake, PET and PETG depolymerize at comparable rates under organosalt catalysis, while PC depolymerizes significantly more slowly under identical conditions. Time-resolved molecular weight analysis and thermal characterization demonstrate that these rate differences do not arise from crystallinity, swelling, or inherent carbonyl reactivity, but instead reflect solubility-limited kinetics that constrain the transition from heterogeneous to homogeneous reaction regimes. When polymer solubility is low, depolymerization remains heterogeneous and slow; when solubility is enhanced—either through increased polymer–diol compatibility or stronger base catalysis—rapid homogeneous depolymerization is observed, reversing apparent reactivity trends. These results establish solubility and phase behavior as primary determinants of depolymerization kinetics in heterogeneous polymer recycling systems. By demonstrating how catalyst selection and solvent compatibility can expose or overcome solubility limitations, this work provides mechanistic insight to design more energy-efficient and selective chemical recycling processes. More broadly, these findings suggest that polymers with limited solvent or water compatibility may resist chemical degradation in the environment, favoring fragmentation and persistence as micro- and nanoplastics. Understanding solubility-controlled depolymerization offers a pathway toward more sustainable polymer design and end-of-life chemical recovery.

Watson-Sanders, Shelby [Department of Chemistry, U↗

DOE OSTI2024

Epoxy resin reinforced with carbonized chicken feathers: An innovative composite material with sustainable potentials

Here, this article explores a novel method for enhancing the mechanical properties of epoxy resin composites by incorporating carbonized chicken feathers as a filler material. The fabrication process involves carbonizing chicken feathers at 600°C and incorporating 5-10 wt% of the fillers into an epoxy matrix. The composites showed enhanced mechanical properties and samples containing 10 wt% filler exhibit the best properties. The performance corresponds to 49% increase in tensile strength, 16% rise in Young’s modulus, 40% improvement in flexural modulus, and 57% in flexural strength. X-ray diffraction and scanning electron microscopy with energy dispersive spectroscopy were employed to characterize the filler. This characterization provides valuable insights into the structure and chemical composition of the pulverized carbonized chicken feathers that contributed to the attained improvement in composites’ properties. Microstructural examination of the developed composite under scanning electron microscope also provides insights into matrix-filler interface and dispersion of the fillers within the composite matrix. The study not only highlights the unique combination of carbonized feathers’ inherent strength and compatibility with the epoxy matrix but also underscores the eco-friendly nature of utilizing agricultural waste. The findings suggest promising applications in industries demanding lightweight, high-strength materials, which can contribute to sustainable engineering solutions.

36 MATERIALS SCIENCE↗

NASA NTRS1979

Trends in Materials' Outgassing Technology

Test sample acquisition and chemical analysis techniques for outgassing products from spacecraft, experiment modules, and support equipment is described. The reduction of test data to a computer compatible format to implement materials selection policies is described. A list of the most troublesome outgassing species is given and several materials correlations are discussed. Outgassing from solar panels, thermal blankets, and wire insulation are examined individually.

Colony, J. A.↗

NASA NTRS1992

Long-term corrosion evaluation of stainless steels in Space Shuttle iodinated resin and water

The effects of stainless steel exposure to iodinated water is a concern in developing the Integrated Water System (IWS) for Space Station Freedom. The IWS has a life requirement of 30 years, but the effects of general and localized corrosion over such a long period have not been determined for the candidate materials. In 1978, Umpqua Research Center immersed stainless steel 316L, 321, and 347 specimens in a solution of deionized water and the Space Shuttle microbial check valve resin. In April 1990, the solution was chemically analyzed to determine the level of corrosion formed, and the surface of each specimen was examined with scanning electron microscopy and metallography to determine the extent of general and pitting corrosion. This examination showed that the attack on the stainless steels was negligible and never penetrated past the first grain boundary layer. Of the three alloys, 316L performed the best; however, all three materials proved to be compatible with an aqueous iodine environment. In addition to the specimens exposed to aqueous iodine, a stainless steel specimen (unspecified alloy) was exposed to moist microbial check valve resin and air for a comparable period. This environment allowed contact of the metal to the resin as well as to the iodine vapor. Since the particular stainless steel alloy was not known, energy dispersive spectroscopy was used to determine that this alloy was stainless steel 301. The intergranular corrosion found on the specimen was limited to the first grain boundary layer.

Krohn, Douglas D.↗

NASA NTRS2000

Assessment of The Compatibility of Composite Materials With High-Test Hydrogen Peroxide

The compatibility of composite materials with high-test hydrogen peroxide (HTP) was assessed using various chemical and mechanical techniques. Methods included classical schemes combining concentration assay with accelerated aging by means of a heated water bath. Exothermic reactivity was observed using Isothermal Microcalorimetry. Mechanical Properties testing determined degradation of the composite material. Photoacoustic Infrared Spectroscopy was used to monitor chemical alteration of the resin matrix. Other materials were examined including some polymers and metals.

Gostowski, Rudy↗

DOE OSTI2025

Amorphous boron nitride: synthesis, properties and device application

Amorphous boron nitride (a-BN) exhibits remarkable electrical, optical, and chemical properties, alongside robust mechanical stability, making it a compelling material for advanced applications in nanoelectronics and photonics. This review comprehensively examines the unique characteristics of a-BN, emphasizing its electrical and optical attributes, state-of-the-art synthesis techniques, and device applications. Key advancements in low-temperature growth methods for a-BN are highlighted, offering insights into their potential for integration into scalable, CMOS-compatible platforms. Additionally, the review discusses the emerging role of a-BN as a dielectric material in electronic and photonic devices, serving as substrates, encapsulation layers, and gate insulators. Finally, perspectives on future challenges, including defect control, interface engineering, and scalability, are presented, providing a roadmap for realizing the full potential of a-BN in next-generation device technologies.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Evaluation of Technologies for Destruction of LDR Organics in Hanford Tank Waste

Aqueous Hanford tank wastes contain soluble organics and some tanks contain small amounts (<100 mg/L) of organics that are regulated under the Land Disposal Restrictions (LDR) portions of the Resource Conservation and Recovery Act (RCRA). Most of these organics can be removed by evaporation, but some are not. Methods to destroy/remove organics that are regulated by the LDR section of the RCRA and that are not removed by evaporation may be needed if ambient temperature waste treatment processes are used to immobilize aqueous Hanford tank wastes. To identify viable and compatible organic removal or destruction pretreatment methods an evaluation was performed by a team of researchers. The team utilized a Systems Engineering Approach that examines all aspects of the technology, based on information available in the literature and the experience of the team members. That evaluation led to recommendations by the team to perform testing on technologies to determine efficacy in destroying organics in Hanford tank waste liquids. The primary technologies recommended are chemical oxidants, including permanganate, peroxymonosulfate or peroxydisulfate (PMS/PDS), hydrogen peroxide, and ozone. Ultraviolet light irradiation of the stream with a solid catalyst sorbent is also recommended for testing. A generalized description of the test program is also included.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1992

Effects of the chemical environment on the spectroscopic properties of clays: Applications for Mars

Laboratory studies of Mars soil analogs pose unique problems, since soils interact readily with their environment and exhibit variable characteristics depending on the environment. We have performed a series of experiments focusing on the spectral properties of clays and how they vary as a function of composition and environment, including examination of fundamental as well as overtone absorptions, that occur in the mid- and near-IR, respectively. Smectite clays have been selected in our laboratory experiments as a primary surface analog for Mars because of their compatibility with results of the Viking biology experiments, their stability under current martian conditions, and their compatibility with reflectance spectra of Mars. We prepared a number of monoionic montmorillonites in order to examine the influence of cations on the water molecules in the clay interlayer region. Moessbauer spectra of several montmorillonites with variable amounts of interlayer iron confirm the presence of ferrihydrite.

Bishop, Janice L.↗

DOE OSTI2023

Development of Hydrogen Permeation Barrier and Matrix Interaction Protection Coatings for TZM Enclosure of Hydride Moderators (Microreactor Program M3 Report)

It is important to develop a high-performance enclosure solution for hydride-based microreactor moderation components to effectively suppress hydride thermal decomposition and prevent hydrogen loss in harsh in-reactor environments. Currently, the DOE-NE Microreactor Program (MR program) is investigating the titanium-zirconium-molybdenum (TZM) canned yttrium hydride (YH 2-x ) solution, which provides acceptable hydrogen retainment performance up to ~700 °C. However, improvements in the enclosure are necessary for increasing long-term operation temperature beyond 700 °C and enhancing short-term survivability at even higher temperatures during power transients. One potential solution is the addition of a dedicated hydrogen permeation barrier, which can potentially improve the enclosure's performance. Furthermore, the hydride moderator components will be inserted into the microreactor matrix, which may consist of materials that are not chemically inert against TZM. Therefore, the TZM might need to be protected from the external environment through the application of another surface protection coating. To address these critical issues, two types of barrier coatings optimized for TZM-based moderator enclosure has been developed. A multilayer coating approach has been used to identify TZM-compatible barrier materials. Behavior of these coating designs against H 2 permeation and long-term high-temperature graphite matrix interactions has been examined in detail. Additionally, the developed coatings' behavior when exposed to both high-temperature thermal cycling and heavy-ion irradiation has also been investigated. Overall, the development of these barrier coatings is essential for achieving maturity for the metal hydride moderator technology. The results in this report will provide crucial insights into the behavior of the developed coatings and their potential for improving the long-term performance of TZM-based moderator enclosures.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1979

Long term storage test of titanium material with liquid fluorine propellant

The compatibility of 6AL-4V Ti with propellant grade GF2 and LF2 at 77 K for up to 3 years was investigated. Titanium double coupons, annealed or heat treated, with 16 or 64 RMS finishes, were immersed in F2 in individual Pyrex capsules and stored under LN2 for 29 and 39 months. Pre and post immersion tests were performed on the propellant and coupons. Chemical analysis of the propellant did not reveal any significant changes due to titanium corrosion. Gravimetric, visual, microscopic, and metallurgical examination with pitting analysis did not reveal gross corrosion of the titanium although pitting appears to be greater after 39 months exposure. The increase in pit size and number raises the possibility of unpredictable crack propagation instability. Fracture toughness tests are necessary to define this possibility.

Denson, J. R.↗

NASA NTRS2003

Solar Thermal Propulsion Improvements at Marshall Space Flight Center

Solar Thermal Propulsion (STP) is a concept which operates by transferring solar energy to a propellant, which thermally expands through a nozzle. The specific impulse performance is about twice that of chemical combustions engines, since there is no need for an oxidizer. In orbit, an inflatable concentrator mirror captures sunlight and focuses it inside an engine absorber cavity/heat exchanger, which then heats the propellant. The primary application of STP is with upperstages taking payloads from low earth orbit to geosynchronous earth orbit or earth escape velocities. STP engines are made of high temperature materials since heat exchanger operation requires temperatures greater than 2500K. Refractory metals such as tungsten and rhenium have been examined. The materials must also be compatible with hot hydrogen propellant. MSFC has three different engine designs, made of different refractory metal materials ready to test. Future engines will be made of high temperature carbide materials, which can withstand temperatures greater than 3000K, hot hydrogen, and provide higher performance. A specific impulse greater than 1000 seconds greatly reduces the amount of required propellant. A special 1 OkW solar ground test facility was made at MSFC to test various STP engine designs. The heliostat mirror, with dual-axis gear drive, tracks and reflects sunlight to the 18 ft. diameter concentrator mirror. The concentrator then focuses sunlight through a vacuum chamber window to a small focal point inside the STP engine. The facility closely simulates how the STP engine would function in orbit. The flux intensity at the focal point is equivalent to the intensity at a distance of 7 solar radii from the sun.

Gerrish, Harold P.↗

DOE OSTI2024

Simulant Development of Potential 200 West Area Waste Feeds

Preliminary planning for retrieval, qualification, and pretreatment of waste in Hanford’s 200 West Area (200W) has begun as part of the West Area Risk Management project. Experimental studies to technically mature pretreatment process operations will likely be needed because of the uniqueness of 200W waste. Pacific Northwest National Laboratory formulated five simulants to represent 200W-qualified feed based on the preliminary flowsheet provided by Washington River Protection Solutions, LLC. The simulant recipes were devised using applicable historical information as a reference point to support the use of the flowsheet waste vectors, which were combined into five distinct groups. These five groups formed the basis for the liquid composition targets that were adapted into recipes using charged-balanced salt species. The liquid phase recipes were batched in 1-L quantities and analyzed at Pacific Northwest National Laboratory. Once confirmed to be stable, the liquid solutions were tested for compatibility with candidate solid components. Specific solid components were recommended based on cross-examining the proposed solid phases in the flowsheet with relevant data from the literature. Mixtures of solid components were added to aliquots of the liquid batches and sub-sampled to measure particle size distribution. The measured distribution was compared to independently created benchmark distributions appropriate for each simulant. This process was iterated until a solid phase composition that resulted in a representative particle size distribution was found. After the final compositions were confirmed, a suite of chemical and physical characterization data was collected. This report describes the simulant basis, formulation methodology, laboratory measurements, and data collected for the recipes recommended to represent 200W waste feeds.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Post-irradiation Examination Status for the BSU-269 Project

High-density uranium inter-metallic uranium silicide (U 3 Si 2 ) was initially considered as a potential advanced nuclear fuel for light water reactor (LWR) systems due to several advantages it demonstrated in thermophysical properties, chemical, and irradiation stability. In addition to understanding the basic thermophysical and mechanical properties of U 3 Si 2 under LWR irradiation conditions, it is important to assess its performance with advanced claddings such as FeCrAl, SiC, or conventional Zr-based claddings. Several aspects of the fuel cycle and fuel performance are being evaluated for U 3 Si 2 coupled with different types of claddings. To thoroughly characterize the U 3 Si 2 -cladding system, their chemical compatibilities and the potential for fuel-cladding chemical interaction (FCCI) must be addressed. Interdiffusion studies have been performed between U 3 Si 2 /Zry-4 and U 3 Si 2 /FeCrAl using diffusion couples. For the U 3 Si 2 /Zry-4 system, ZrSi 2 was the primary interdiffusion product observed at 800°C in addition to other secondary phases from the Zr alloying elements such as Fe and Cr. Low melting point U 6 Fe was also observed at 1000°C. For the U 3 Si 2 /FeCrAl system, at temperatures above 500°C, chemical diffusion Fe-U and Fe-U-Si was observed, increasing with rising temperatures. Although information from these non-irradiated tests is a fundamental first assessment, follow-up with focused irradiation tests is necessary. Irradiation can significantly alter the structure and evolution of the FCCI layers compared to the non-irradiated conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Study of the agreement between binary neutron star ejecta models derived from numerical relativity simulations

Neutron star mergers have recently become a tool to study extreme gravity, nucleosynthesis, and the chemical composition of the Universe. To date, there has been one joint gravitational and electromagnetic observation of a binary neutron star merger, GW170817, as well as a solely gravitational observation, GW190425. In order to accurately identify and interpret electromagnetic signals of neutron star mergers, better models of the matter outflows generated by these mergers are required. We compare a series of ejecta models to see where they provide strong constraints on the amount of ejected mass expected from a system, and where systematic uncertainties in current models prevent us from reliably extracting information from observed events. We also examine 2396 neutron star equations of state compatible with GW170817 to see whether a given ejecta mass could be reasonably produced with a neutron star of said equation of state, and whether different ejecta models provide consistent predictions. We find that the difference between models is often comparable to or larger than the error generally assumed for these models, implying better constraints on the models are needed. In conclusion, we also note that the extrapolation of outflow models outside of their calibration window, while commonly needed to analyze gravitational wave events, is extremely unreliable and occasionally leads to completely unphysical results.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Evaluation of Stripping Resistance of Organoclay-Modified Asphalt Binder and Aggregate Systems Using an Optical Contact Angle Analyzer

Organoclays, often referred to as nanoclays (NCs), are organically modified phyllosilicates. They are derived from naturally occurring clay minerals and possess unique characteristics in improving the physical and mechanical properties of polymers and rubbers. Recently, NCs have drawn interest in the modification of asphalt binders as micro-scale fillers. A few recent studies have revealed that the addition of NCs in asphalt binders improved binders’ stiffness, aging characteristics, and fatigue resistance. This study aims to evaluate the changes in moisture resistance of different NC-modified asphalt binders through the surface free energy (SFE) technique. This technique estimates SFE properties of binders and aggregates from static contact angle (SCA) data measured from an optical contact angle analyzer (OCA). Further, this study examines the changes in chemical compositions (functional groups) of binders due to the addition of selected NCs by using the Fourier Transformation Infrared (FTIR) technique. To this end, a commonly used performance grade (PG) binder (PG 64-22) modified with four different types (shape and size) of NCs, namely, Cloisite® 15 (C-15), Cloisite® 20 (C-20), Cloisite® Na+ (C-Na), and Cloisite® Ca++ (C-Ca) were evaluated in this study. The SFE data of five different types of aggregates from Oklahoma, namely, Davis Limestone (DL), Snyder Granite (SG), Dolese-Cooperton Limestone (DCL), Hanson-Davis Rhyolite (HDR), and Martin-Marietta-Mill-Creek Granite (MMMG), were used to perform their compatibility with the aforementioned NC-modified binders. The FTIR spectra revealed the presence of various alcohols, ethers, and esters in NC-modified asphalt binders. The moisture susceptibility analysis shows that the addition of NC results in an increase of SFE and cohesive energy of an asphalt binder, which are desired for improved moisture resistance. The addition of NC also shows improved compatibility in cases of all aggregates. Among the five aggregates, MMMCG showed the highest compatibility with all binders, followed by DCL, HDR, DL, and SG. In regard to NCs, the C-15 sample showed the highest compatibility followed by C-20, C-Na, and C-Ca.

Hossain, Zahid↗

DOE OSTI2026

Validated Reactive Force Field Quantifies MXene Interfacial Properties, Mechanics, and Thermal Transport

MXenes combine rich surface chemistry, mechanical strength, and high conductivity for a multitude of emerging applications. Predictive modeling supports accelerated materials designs and has been limited by the absence of validated and transferable force fields. Here, we introduce an interpretable, reactive INTERFACE force field (IFF and IFF-R) for Ti 3 C 2 T x MXenes that is trained based on chemical knowledge and achieves quantitative agreement with experiments across lattice parameters (<0.5%), density (<0.2%), liquid contact angles, Raman spectra, and the in-plane elastic modulus (∼320 GPa). The models cover surface terminations from hydroxyl (−OH) to fluorine (−F) groups and are extensible to other chemistries. We introduce pH-resolved surface chemistry and identify dopamine adsorption mechanisms at MXene–aqueous interfaces supported by QCM-D and UV–Vis experiments. The data reveal coplanar and perpendicular binding modes and concentration-dependent multilayer assembly. We predict previously inaccessible properties, including termination-dependent cleavage energies, interlayer shear moduli and dynamic shear failure, nanoindentation and brittle fracture, anisotropic in-plane and out-of-plane thermal conductivities, including the role of defects. Agreement with available experimental data is consistently close and exceeds DFT accuracy across the benchmark properties examined. The IFF/IFF-R model is compatible with CHARMM, AMBER, OPLS, and CVFF force fields for simulations of MXenes with diverse surface terminations, electrolyte interfaces, biointerfaces, and polymer composites without additional parameters. Parameter sets, 3D models, and analysis scripts are provided for community use. The validated, reactive, and transferable IFF framework facilitates predictive design of MXene-based films, membranes, sensing interfaces, and composites.

MXene↗

NASA NTRS2019

Distribution of Fe3+ and H in Minerals During Partial Melting and Metasomatism of Spinel Peridotite

Oxygen fugacity and water content are crucial parameters for many chemical and physical properties of the Earth's mantle, for example bearing on fluid type, melting initiation, and deformation. However, the exact behaviour of Fe3+ and H during melting and metasomatism is still under debate. Here, the Fe3+/ΣFe ratio (Mössbauer and EMP) and water content (FTIR) of peridotite minerals are examined in mantle xenoliths from Kilbourne Hole (KH), NM, and Dish Hill (DH), CA (USA). These spinel peridotites have compositions consistent with partial melting with variable degrees of metasomatism (undetectable to cryptic to modal). Pyroxenites also allow to examine melt-rock reactions. Bulk-rock Fe2O3 content of the KH peridotites correlates with indices of melting (positive with bulk-rock Al2O3 and Cpx Yb contents, and negative with spinel Cr#) confirming that Fe3+ behaves as an incompatible element during melting. Correlations of the Fe3+/ΣFe ratio of minerals with these indices, however, indicates that Fe3+ is incompatible in Cpx but compatible in Opx and spinel during melting. Water contents in olivine, Cpx and Opx from most KH peridotites can be explained by partial melting and correlate negatively with the Fe3+/ΣFe ratio of spinel and Opx but positively with that of Cpx. This indicates partial control of Fe3+ on the incorporation of H in pyroxene, but not related to a redox equilibrium in Cpx. The higher Fe3+/ΣFe ratio of spinel in the metasomatized KH and DH peridotites, and in the pyroxenites confirms that oxidation characterizes modal metasomatism. Metasomatism, however, is not necessarily accompanied by water addition.

Peslier, A. H.↗