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DOE OSTI2026

Kernel Enriched Meshfree Multiphysics Degradation Modeling of Energy Storage Materials

Energy storage materials exhibit strong electro-chemo-mechanical coupling and highly anisotropic material properties, contributing to the formation and propagation of micro-cracking during charge/discharge cycling and ultimately diminishing performance and service life. With microstructural images supplied by the National Laboratory of the Rockies (NLR), pixel-based meshfree model construction by the reproducing kernel particle method (RKPM) is used to represent the complex material microstructures that dictate the coupled physics of these systems. Traditional electro-chemo-mechanical models rely on mesh-based finite element methods, which can lead to difficulties in meshing such complex geometries and capturing crack propagation due to mesh dependency. The first kernel enrichment discussed will be the interface modified reproducing kernel (IM-RK) [1, 2], constructed by scaling a smooth kernel function with an interface-distance function to achieve strategic discontinuity types (i.e. weak discontinuities for strain discontinuities and strong discontinuities for cracks) and alleviate Gibbs oscillations near these transition zones. The IM-RK is especially useful for areas in which a known discontinuity-type is expected a priori. The second kernel enrichment to be discussed is a neural network-enhanced reproducing kernel (NN-RK) [3, 4], which is introduced to effectively model non-obvious damage and crack propagation in the material microstructures; the location, orientation, and solution transition near a localization are automatically captured by superimposed block-level NN optimizations. This NN enrichment approach allows for effective modeling of localizations via a fixed background discretization, relieving tedious efforts for adaptive refinement in traditional mesh-based methods. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. NN-RK is additionally used to inform how crack opening and closure in turn affect the electro-chemo-mechanical responses in the material microstructure. References: [1] Wang, Y., Baek, J., Tang, Y. et al. "Support vector machine guided reproducing kernel particle method for image-based modeling of microstructures," Comput Mech 73, 907-942 (2024). https://doi.org/10.1007/s00466-023-02394-9. [2] Susuki, K., Allen, J. & Chen, J. S.. "Image-based modeling of coupled electro-chemo-mechanical behavior of Li-ion battery cathode using an interface-modified reproducing kernel particle method," Engineering with Computers (2024). https://doi.org/10.1007/s00366-024-02016-9. [3] Baek, J., Chen, J. S., Susuki, K., "Neural Network enhanced Reproducing Kernel Particle Method for Modeling Localizations," International Journal for Numerical Methods in Engineering, Vol. 123, 4422-4454 (2022). https://doi.org/10.1002/nme.7040.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Polymer-assisted transfer of MBE-grown van der Waals materials

Molecular beam epitaxy (MBE) has been used to create high-quality, large-scale two-dimensional van der Waals (2D vdW) materials. However, due to the strong adhesion between the substrate and deposited materials, the peel-off and dry transfer of MBE-grown vdW films onto other substrates has been challenging. This limits the study and use of MBE films for heterogeneous integration including stacked and twisted heterostructures. In this work, we develop a polymer-assisted dry transfer method and successfully perform full-film transfer of various MBE-grown 2D vdW materials including transition metal dichalcogenides (TMD), topological insulators (TI) and 2D magnets. In particular, we transfer air-sensitive 2D magnets, characterize their magnetic properties, and compare them with as-grown materials. The results show that the transfer technique does not degrade the magnetic properties, with the Curie temperature and hysteresis loops exhibiting similar behaviors after the transfer. Our results enable further development of heterogeneous integration of 2D vdW materials based on MBE growth.

Li, Ziling [The Ohio State University]↗

DOE OSTI2026

Fusion Materials Semiannual Progress Report for the Period Ending June 30, 2025

This is the seventy-eighth in a series of semiannual technical progress reports on fusion materials science activity supported by the Fusion Energy Sciences Program of the U.S. Department of Energy. It covers the period ending June 30 th , 2025. This report focuses on research addressing the effects on materials properties and performance of exposure to the neutronic, thermal and chemical environments anticipated in the chambers of fusion experiments and energy systems. This research is a major element of the national effort to establish the materials knowledge base for an economically and environmentally attractive fusion energy source. Research activities on issues related to the interaction of materials with plasmas are reported separately. The results reported are the products of a national effort involving a number of national laboratories and universities. A large fraction of this work, particularly in relation to fission reactor irradiations, is carried out collaboratively with international partners, e.g., Japan and the UK. The purpose of this series of reports is to provide a working technical record for the use of program participants, and to provide a means of communicating the efforts of fusion materials scientists to the broader fusion community, both nationally and worldwide. This report has been compiled by Stephanie Melton, Oak Ridge National Laboratory. Her efforts, and the efforts of the many persons who made technical contributions, are gratefully acknowledged.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

CRADA 2022-03 Final Report: Advanced Bearing Materials for Harsh Service Conditions

Develop advanced bearing materials for hydrogen gas turbines and wind turbines. Two candidate materials have been selected based on Ames lab’s recent work on high entropy alloys and shape memory alloys. These materials are designed to exhibit a balance of hardness, strength, toughness, and corrosion resistance. The hydrogen diffusion coefficient in the NiTi based shape memory alloy is two order of magnitude lower than that of the conventional case hardened bearing steel. We plan to atomize these materials into powders, additive manufacture cylindrical bearings, then test these bearing for rolling-contact fatigue, corrosion properties, and hydrogen embrittlement. We are a vertically integrated team comprises of national labs, bearing manufacturers, raw material powders makers, and aircraft gas turbine manufacturer.

Argibay, Nicolas [Ames Laboratory (AMES), Ames, IA↗

DOE OSTI2025

Guarded Hot Cylinder Apparatus for Characterization of Thermal Insulation Systems and Materials at Liquid Hydrogen Temperatures

As interest in liquid hydrogen (LH2) continues to grow within the energy and mobility sectors, so does the demand for testing capabilities at deep cryogenics temperatures. However, cost-, complexity-, and safety-related challenges associated with handling LH2 effectively limit the landscape of possible options. As an alternative, LH2 temperatures can be accessed via a helium-based cryogenic refrigerator, or “cryocooler”. Recently, NASA and its partners CB&I and Shell began the development of a cryocooler-based calorimeter to characterize the thermal performance of insulations and other materials down to 20 K. Deemed the Guarded Hot Cylinder (GHC), the apparatus utilizes a small vacuum chamber in conjunction with a GM cryocooler and trim heater to control the cold boundary temperature. A sealed, cylindrical copper cup bolts to the cryocooler and houses the material specimen, with an internal, cylindrical test heater assembly to maintain the warm boundary. The steady-state heat load, traveling radially through the specimen, is measured via the electrical input power to the test heater and then used to evaluate the material’s absolute thermal performance. Initial checkout and validation of the GHC using a common bulk-fill insulation material showed close agreement with published data from standardized LN2 boiloff calorimetry testing. The instrument is now considered a lab standard, with the goal of incorporating it into the ASTM C1774 standard in the future, and it is in continuous use, examining insulation materials for next-generation LH2 applications.

Swanger, Adam (ORCID:000000021487592X)↗

DOE OSTI2024

Preparation and Characterization of Materials for Low- to Intermediate-Temperature CO2 Adsorption

Global carbon dioxide emissions are rising and the use of fossil fuels in several sectors are the leading causes. As global population and economies continue to grow significantly, the most practical method of lowering such emissions is to capture CO2. Although other technologies are more developed, adsorption is very promising and has attracted much attention. To ensure this technology’s success, it is essential to have suitable CO2 adsorbent materials. In this work, several new hydrotalcites (HTs) with different initial concentrations of ion precursors were prepared for the first time by the co-precipitation method—it was possible to verify that the ion concentrations influence the characteristics of the materials. The prepared HTs were characterized by thermogravimetric analysis (TG), X-Ray diffraction (XRD), surface area measurements and temperature-programmed desorption of CO2 (TPD-CO2) to relate their CO2 capture capacity to their physicochemical properties; the CO2 adsorption equilibrium isotherms were determined at 35 and 300 °C for the prepared samples, as well as for some commercial materials: magnesium oxide, calcium oxide, aluminium oxide and Zeolite 13X. After determining which materials present the best CO2 adsorption capacity, these were submitted to adsorption-desorption cycles to study their stability. The main objective of the work was to prepare and study different CO2 adsorbents for processes that are carried out at low and intermediate temperatures. From the experimental results, it was possible to conclude that the Zeolite 13X showed the best capacity at 35 °C, 3.38 mmol·g−1 (@ pCO2 = 1 bar), and a prepared calcined HT (c-HT2) was the best at 300 °C, 0.97 mmol·g−1 (@ pCO2 = 1 bar). Moreover, it seems there is an optimum initial concentration of the ions’ solutions for the tested HTs, which depends on the final application—c-HT1 showed a better capacity at 35 °C and c-HT2 at 300 °C. From the adsorption-desorption cycles—performed at 35 and 300 °C with the best materials using a magnetic suspension microbalance at 1 bar of CO2 partial pressure —, a working cyclic capacity of 2.69 mmol∙g−1 was achieved by the Zeolite at 35 °C; in turn, c-HT2 showed a working cyclic capacity of 0.79 mmol∙g−1 at 300 °C.

Figueiredo, Anabela↗

DOE OSTI2026

Biobased Flame Retardants Towards Sustainable Building Materials with Low Embodied Carbon

Incorporation of fire retardants in different types of products is one of the essential steps in the material production process to minimize fire risk and meet fire safety requirements. A variety of commonly used flame retardants based on halogen, mineral, and other compounds has gained popularity due to their efficient flame-retardant behaviors. However, especially in the case of halides, there are numerous toxicity related issues and environmental pollution effects that have urged the building sector to deviate from their use and focus on the development of non-toxic alternatives. Therefore, to enhance the safety of flame retardants, the synthesis of flame retardants from waste feedstocks using phosphorous chemistry with a dual flame-retardant mechanism has been established. A range of waste feedstocks that include cardanol, vanillin, and gallic acids has been converted into a series of flame retardants using a one-step approach by incorporating phosphorous moieties into their structures. The established pathways allow to develop a range of flame-retardant materials by converting waste feedstocks into phosphorous-based materials with inherent flame retardancy. The introduction of abundant aromatic structures from biobased feedstocks enables high charring capabilities in materials in which these biobased flame retardants have been incorporated, increasing their char yields which significantly enhances the flame suppressing properties of the designed materials. Studies show that inclusion of phosphoric moieties into structures allows the displacement of flame enhancing radicals, by releasing non-flammable and non-toxic gases, therefore inhibiting the spread of fire in the gas phase. The resulting biobased flame retardants have been incorporated in wood substrates, foam insulation, and hemp fibers where the results show that only 1-5% of loading of biobased flame retardant suppressed the flame completely. This study represents a novel approach for the development of flame retardants with high performance while utilizing waste feedstocks as a source for their design.

Demchuk, Zoriana [ORNL] (ORCID:0000000326292235)↗

NASA NTRS1971

Evaluation of heat- and blast-protection materials

A program was initiated at the Kennedy Space Center in December 1967 and conducted through December 1969 to evaluate the performance of heat- and blast-protection materials for ground support equipment used during the Apollo/Saturn launches. Materials believed to be generally suitable for heat and blast protection were subjected to launch-exposure tests. Tests were made during the Apollo/Saturn 502, 503, and 505 launches. Tests were also made in a local laboratory, as an alternative to the restrictive requirements of launch-exposure tests, to determine the effects of torch-flame exposure on ablative materials. Five materials were found to be satisfactory in all major test categories. It was determined that torch-flame tests can probably be utilized as an acceptable substitute for the booster-engine-exhaust exposure tests for basic screening of candidate materials.

Morrison, J. D.↗

NASA NTRS1971

Development of improved pyroelectric detectors; Literature survey of pyroelectric materials and their characteristics

The object of this program is to improve the detectivity of the pyroelectric detector with the ultimate goal of operation at or near the temperature-noise limit. Two general areas of investigation are undertaken. The first is to improve responsivity through the use of new materials. The second is directed toward reduction of noise and will be effected with improved field effect transistor characteristics, and improved electroding of the pyroelectric material. The search for new materials has begun with a review of the literature on pyroelectric materials in several languages. The compiled data includes an extensive list of references. From this, several materials have already been selected for investigation. FETs are being obtained from various manufacturers, evaluated, and selected units will be tested with pyroelectric elements as complete detectors.

Weiner, S.↗

NASA NTRS1971

Thermal conductivity and electrical resistivity of porous material

Thermal conductivity and electrical resistivity of porous materials, including 304L stainless steel Rigimesh, 304L stainless steel sintered spherical powders, and OFHC sintered spherical powders at different porosities and temperatures are reported and correlated. It was found that the thermal conductivity and electrical resistivity can be related to the solid material properties and the porosity of the porous matrix regardless of the matrix structure. It was also found that the Wiedermann-Franz-Lorenz relationship is valid for the porous materials under consideration. For high conductivity materials, the Lorenz constant and the lattice component of conductivity depend on the material and are independent of the porosity. For low conductivity, the lattice component depends on the porosity as well.

Koh, J. C. Y.↗

NASA NTRS1972

Theory of fiber reinforced materials

A unified and rational treatment of the theory of fiber reinforced composite materials is presented. Fundamental geometric and elasticity considerations are throughly covered, and detailed derivations of the effective elastic moduli for these materials are presented. Biaxially reinforced materials which take the form of laminates are then discussed. Based on the fundamentals presented in the first portion of this volume, the theory of fiber-reinforced composite materials is extended to include viscoelastic and thermoelastic properties. Thermal and electrical conduction, electrostatics and magnetostatics behavior of these materials are discussed. Finally, a brief statement of the very difficult subject of physical strength is included.

Hashin, Z.↗

NASA NTRS1972

Torsion pendulum measurements on viscoelastic materials during vacuum exposure

A torsional pendulum apparatus designed for testing in situ in vacuum, the dynamic mechanical properties of materials is described. The application of this apparatus to an experimental program to measure the effects of vacuum on the mechanical properties of two ablator materials (a foamed material and a filled elastomer) and a solid rocket propellant (a filled elastomer) is presented. Results from the program are discussed as to the effects of vacuum on the mechanical properties of these three materials. In addition, time-temperature-superposition, as a technique for accelerating vacuum induced changes in mechanical properties, is discussed with reference to the three materials tested in the subject program.

Ward, T. C.↗

NASA NTRS1972

Tensile failure criteria for fiber composite materials

The analysis provides insight into the failure mechanics of these materials and defines criteria which serve as tools for preliminary design material selection and for material reliability assessment. The model incorporates both dispersed and propagation type failures and includes the influence of material heterogeneity. The important effects of localized matrix damage and post-failure matrix shear stress transfer are included in the treatment. The model is used to evaluate the influence of key parameters on the failure of several commonly used fiber-matrix systems. Analyses of three possible failure modes were developed. These modes are the fiber break propagation mode, the cumulative group fracture mode, and the weakest link mode. Application of the new model to composite material systems has indicated several results which require attention in the development of reliable structural composites. Prominent among these are the size effect and the influence of fiber strength variability.

Rosen, B. W.↗

NASA NTRS1971

Effects of cyclical environments on high-performance multi-layer insulation materials.

Results of a test program designed to determine the effects of 100 temperature and compressive loading cycles on several multilayer insulation materials and composites. A total of four reflector materials, four separator materials, eight face-sheet systems, and one fastener material were subjected to 100 temperature cycles from -320 to 400 or 650 F. Generic types of materials studied included Mylar, Kapton, Dacron, Nomex, and Beta Glass. The temperature cycling was followed by visual inspection, metal adhesion tests on the reflectors, and tensile tests of the face sheets, fastener, and separators. A total of six composites were subjected to compressive cycles between zero and 0.15 psi, and density changes were measured. Application of the experimental results to the shuttle orbiter is discussed.

Krause, D. R.↗

NASA NTRS1972

Determination of the effects of graphite material properties on ablation performance.

Application of statistical methods to the problem of identifying those material properties of artificial graphite having the strongest effect on ablation performance. Ablation performance, as determined by total length change during test, recession rate, surface temperature, surface texture, and degree of gouging, was measured on 40 different, commercially available, artificial graphites in a Mach 2 airstream having a nominal enthalpy of 2.2 MJ/kg and a stagnation pressure of 5.6 atm. Eighteen material properties were measured on these same graphites, and correlations between pairs of these material properties were developed where possible, reducing the original 18 properties to ten mutually independent properties. Multiple regression equations were formulated relating ablation performance to the reduced set of ten independent material properties, thereby identifying those material properties having the most pronounced effect on ablation performance. These regression equations reveal that for optimum ablation performance in the present environment, grain size should be small, ash content low, density and thermal conductivity high, and mean pore radius large.

Maahs, H. G.↗

NASA NTRS1972

Developmental status of thermionic materials.

Description of the reference materials selected for the major components of the unit cell of a thermionic pile element (TFE), the out-of-pile and in-pile test results, and current efforts for improving the life and performance of thermionic fuel elements. The component materials are required to withstand the fuel burnup and fast neutron fluence dictated by the thermionic reactor system. Tungsten was selected as the cladding material because of its compatibility with both the carbide and the oxide fuel materials. Niobium was selected as the collector material because its thermal expansion coefficient matches closely with that of the thin aluminum oxide layer used to electrically insulate the collector from the TFE sheath. An unfueled converter has performed stably over 41,000 hr. Accelerated irradiation tests have attained burnups equivalent to that for 40,000 hr of the thermionic reactor under consideration.

Yang, L.↗

NASA NTRS1972

Determination of contamination character of materials in space technology testing

The contamination character of selected materials used in space technology testing is presented. Many of these materials contain components that become volatile in a space environment. Most previous data were limited to weight loss or vapor pressure. However, these parameters are not necessarily a direct measure of the contamination character of these materials. Selected materials were exposed to a thermal-vacuum environment, and the degree of contamination was measured by collecting the outgases from these materials on a cold test mirror surface. The degradation of reflectivity of the mirror was measured over a spectral range from 1100 A to 2.5 microns. Half the mirror's surface was also exposed to UV irradiation to determine its effects on the contaminative character of the depositing outgases. The amount of deposit per unit area was measured by microbalances mounted near the mirror; the sensor of one microbalance was UV irradiated. A quadrupole mass spectrometer was used to determine the composition of the outgases.

Haynes, D. L.↗

NASA NTRS1972

Development of advanced material composites for use as internal insulation for LH2 tanks (gas layer concept)

A program is described that was conducted to develop an internal insulation system for potential application to the liquid hydrogen tanks of a reusable booster, where the tanks would be subjected to repeated high temperatures. The design of the internal insulation is based on a unique gas layer concept, in which capillary or surface tension effects are used to maintain a stable gas layer, within a cellular core structure, between the tank wall and the contained liquid hydrogen. Specific objectives were to select materials for insulation systems that would be compatible with wall temperatures of 350 F and 650 F during reentry into the earth's atmosphere, and to fabricate and test insulation systems under conditions simulating the operating environment. A materials test program was conducted to evaluate the properties of candidate materials at elevated temperatures and at the temperature of liquid hydrogen, and to determine the compatibility of the materials with a hydrogen atmosphere at the appropriate elevated temperature. The materials that were finally selected included Kapton polyimide films, silicone adhesives, fiber glass batting, and in the case of the 350 F system, Teflon film.

Gille, J. P.↗