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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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3,279 records · Page 54

Multiscale Modeling of Fracture Strength in Fibrous Thermal Protection System Materials

This work presents a multiscale modeling approach to predict the fracture strength of fibrous Thermal Protection System (TPS) materials. The model assumes that system failure is initiated at the joints between individual fibers. We investigated three distinct TPS compositions: amorphous silica, alumina and aluminosilicate fibers. Molecular dynamics (MD) simulations were employed to determine the fracture strength values of these fiber joints for both material systems. These fracture strength values were then integrated into simulations of 3D randomly populated fiber structures, where tensile load transfer occurs through the fiber joints. These microscale properties are upscaled through a renormalization approach [1] to predict macroscale tensile strength of 3D random fiber networks, accounting for joint-dominated failure and effective load-bearing area. The study concludes by demonstrating the resulting strength variation as a function of material composition, fiber density, and morphology. We also show validation of results by comparing them against explicit fiber finite element (FE) modeling [2] where fiber joint fracture is represented by cohesive elements.

Jaehyun Cho

230Th/234U radiochronometry for uranium materials by alpha spectrometry for nuclear forensics analysis

We have developed an alpha spectrometry method for 230Th/234U radiochronometry to determine the model separation age for uranium materials. This method offers an alternative to the more commonly used, but significantly more resource intensive multi-collector inductively coupled plasma mass spectrometry (MC-ICP-MS) while providing similar accuracy and precision. The development included radiochemical separation of uranium and thorium, calibration of the 232U tracer and the alpha spectrometry measurement. The method was validated by analyzing a certified reference material, CRM 125-A, which is a uranium oxide pellet assay, isotopic, and radiochronometric standard. The results were compared to those obtained by our routine MC-ICP-MS 230Th/234U radiochronometry analysis method to assess the performance parameters for alpha spectrometry compared to the state-of-the-art technique.

Macsik, Zsuzsanna [Los Alamos National Laboratory

Excitons in van der Waals magnetic materials

Two-dimensional magnetic semiconductors provide a unique platform where long-range magnetic order coexists with strongly bound excitons. Because excitonic states and magnetic moments originate from the same electronic orbitals and couple via intrinsic exchange interactions, optical excitations in these systems exhibit pronounced sensitivity to magnetic order. Recent experiments show unusually strong magneto-optical responses and direct exciton–magnon coupling, establishing new routes for controlling light–matter interactions with spin degrees of freedom. Here, this Review surveys key developments, focusing on representative material systems, experimental signatures, and theoretical frameworks used to describe these phenomena. We conclude with perspectives on how this rapidly evolving field could enable next-generation optoelectronic and quantum technologies leveraging the coupled dynamics of light, charge and spin.

36 MATERIALS SCIENCE

H 2 O and CO 2 Sorption in Ion-Exchange Sorbents: Distinct Interactions in Amine Versus Quaternary Ammonium Materials

This article examines how water (H₂O) and carbon dioxide (CO₂) interact with two classes of ion-exchange sorbents — a primary amine sorbent and a quaternary ammonium (QA⁺) sorbent — using calorimetry, thermal gravimetric analysis, gas analysis, and molecular modeling. Here, the QA⁺ sorbent exhibits stronger binding to both H₂O and CO₂ but also shows thermal stability limitations. Mixed-gas experiments reveal that humidity strongly influences CO₂ uptake and that moisture-driven sorbent regeneration enables cyclic moisture swing CO₂ capture, with implications for low-energy CO₂ separation from dilute gas streams.

36 MATERIALS SCIENCE

Advanced Composite Structures and Materials Technologies for Launch Vehicles

The NASA's Advanced Composites Technologies (ACT) Project has the potential to develop composite materials and structures technologies for the largest composite aerospace structures ever made. The objective the ACT Project of is to develop mid-technology readiness level (TRL) composite materials and structures technologies to TRL 6 for specific heavy lift Ares V launch vehicle and Altair lunar lander applications. To accomplish this objective, the ACT Project has four major technical elements: materials and manufacturing; structural concepts development and assessment of lightweight components; testing and evaluation; and highly loaded composite struts. The Project uses capabilities from across NASA to form multi-disciplinary, cross-center teams to meet the milestones of these technical elements. This presentation will describe the activities and plans for the ACT Project. Studies from the first execution year of the project will be summarized including results from materials selection and structural concept evaluation studies. Plans for continuing activities include studies for nondestructive evaluation/structural health monitoring, damage tolerance, joints, and material and structural testing, and these studies will be described. A major emphasis this fiscal year is the start of work for a manufacturing demonstration barrel. This structure will be composed of six, 5-m-diameter, 3-m-long curved panels that when assembled, result in a 10-m-diameter barrel. Activities related to the development of this structure will also be described.

Mark J Shuart

Battery Material Synthesis and Scalability using a 50L Taylor Vortex Reactor (Final CRADA Report)

Under this agreement, Laminar will loan Argonne a 50L Taylor Vortex Reactor (TVR) and provide mechanical troubleshooting guidance and consulting to ensure the successful setup of the pilot-scale synthesis process. The U.S. Department of Energy (DOE) will allocate funding for the labor and materials required for the study. To evaluate the physical and electrochemical properties of the materials produced by the 50L TVR, Argonne will perform comprehensive characterizations, including XRD, SEM, PSA, ICP, tap density, and coin half-cell testing. Throughout the collaboration, Argonne will provide feedback and recommendations for mechanical improvements to the reactor system. Furthermore, Argonne will credit Laminar as a collaborator in any presentations or publications resulting from data generated by the system. Laminar will retain no rights to experimental results or intellectual property generated through the experiments conducted with the 50L TVR at Argonne.

25 ENERGY STORAGE

Theoretical perspective on phase stability and polarization switching in ferroelectric hafnia

Fluorite-based ferroelectric materials are revolutionizing the application space of polar semiconductors. These materials leverage robust polarization of extremely thin films, compatibility with the silicon chip processing, and decades of manufacturing experience to enable a new generation of ferroelectric memory devices. As a new paradigm for ferroelectrics, understanding of phase transitions and the switching mechanism in fluorites is essential both for advancing applications and for fundamental science. In this article, we outline the recent progress that has been made to understand the relative phase stability, phase transition and order parameter coupling, ferroelectric switching through unique nucleation and growth processes, and how defects affect these phases and processes. The main challenges, opportunities, and next steps for leveraging these materials for next-generation devices are reviewed.

Condensed Matter Physics

First N 2 Profile for Venus’ Deep Lower Atmosphere

We present the first N 2 profile for Venus’ deep lower atmosphere (<15 km) and a constrained isotopic composition for cloud N 2 [1]. This work directly addresses unresolved questions for Venus using legacy observations. Prior to this work, there were no reported measurements for N 2 abundances at <15 km and the isotopic composition remained unconstrained [2]. The N 2 parameters are critical to understanding the evolution and thermal properties of the atmosphere [3-7]. Our N 2 results were obtained by re-analysis of data acquired in 1978 by the Pioneer Venus Large Probe Neutral Mass Spectrometer (LNMS) [8]. The archived mass spectra from 64.2 to 0.2 km were treated using the analytical procedures specifically developed for the LNMS [9-11]. Judicious peak fitting permitted disambiguation of (A) N 2 + and CO + at 28 u and (B) 14 N 15 N+, 13 CO + , and C 2 H 5 + at 29 u. Quality controls included comparing the (A) LNMS CO + /CO 2 + ratios to the NIST database and literature and (B) fitted counts for CO + to the expected counts of CO + calculated from C 18 O + and 13 CO + using the LNMS 16 O/ 18 O and 12 C/ 13 C ratios (obtained from CO 2 ). Our results show that N 2 is uniformly mixed across the deep lower atmosphere between ~0.2 and 15 km (2.49 ± 0.10 v%). In contrast, N 2 is non-uniformly mixed across the sub-cloud atmosphere and clouds (~15–59 km), where N 2 abundances increase by ~ 2-fold between ~15 km (2.45 ± 0.32 v%) and ~59-51 km (5.21 ± 0.18 v%). Using the cloud data, we also obtained a constrained 15 N/ 14 N ratio (2.93×10 -3 ± 0.13×10 -3 ) and δ 15 N value (-204 ± 35‰). Thus, the LNMS results [1] suggest that (A) the atmosphere is unstable at <15 km, (B) N 2 is not well-mixed >15 km, and (C) the cloud δ 15 N falls between Earth and the solar wind [12, 13]. Comparisons of the N 2 abundances and isotopic compositions for nitrogen, carbon, and oxygen to other Venus measurements will be discussed.

deep lower atmosphere

Cave-based chronology of valley incision in the glaciated Northern Carpathians

While glaciers leave a mark on mountain landscapes, the importance of glacial erosion in mountains at a global scale remains insufficiently constrained despite over a century of research aimed at quantifying the rates and magnitudes of such erosion. Measuring rates of landscape change across the Quaternary in repeatedly glaciated mountain landscapes requires the ability to accurately partition the relative role of glacial versus fluvial processes in forming relief; however, the modification of landforms by surface erosion hinders quantification of process rates over the last few million years. This study presents 32 paired 26 Al and 10 Be cosmogenic nuclide burial ages from allochthonous, quartz-bearing sediment deposited within a paleophreatic karst system in the northern Carpathians. These data quantify Pliocene-to-present timing of valley incision and karst system reactivation, as well as erosion rates over time. Post-burial, muon production-correction yields 24 fully resolved ages, six minimum ages, and two unresolvable ages. Burial ages are interpreted to document the tempo of valley incision via phreatic passage formation and reveal that ∼80% of current valley relief (∼700 m) had developed by approximately 1.6 Ma. Paleoerosion rates derived from this dataset suggest little change in the processes generating sediment washed into the karst networks since the Pliocene. These results suggest that river incision dominated relief creation in Carpathian valleys that bear the imprint of glaciation. Our findings suggest the importance of investigating other mid-latitude mountainous regions worldwide to determine if they have similar erosion and topographic histories.

Carpathians

A High Temperature Cyclic Oxidation Data Base for Selected Materials Tested at NASA Glenn Research Center

The cyclic oxidation test results for some 1000 high temperature commercial and experimental alloys have been collected in an EXCEL database. This database represents over thirty years of research at NASA Glenn Research Center in Cleveland, Ohio. The data is in the form of a series of runs of specific weight change versus time values for a set of samples tested at a given temperature, cycle time, and exposure time. Included on each run is a set of embedded plots of the critical data. The nature of the data is discussed along with analysis of the cyclic oxidation process. In addition examples are given as to how a set of results can be analyzed. The data is assembled on a read-only compact disk which is available on request from Materials Durability Branch, NASA Glenn Research Center, Cleveland, Ohio.

Scale Spalling Models

Spinel high-entropy oxides (FeNiCrMnZnX) 3 O 4 (X = Al, mg) as anode materials for high-performance lithium-ion batteries

To address the high cost, cobalt dependency, and resource constraints typical of conventional high-entropy oxide (HEO) anodes, this study reports the successful synthesis of two Co-free, six-component spinel-type HEOs(FeNiCrMnZnAl) 3 O 4 (HEO-Al) and (FeNiCrMnZnMg) 3 O 4 (HEO-Mg), via a sol-gel method. The distinct effects of Al 3+ and Mg 2+ incorporation on the electrochemical performance and lithium storage kinetics were systematically investigated. XRD, Raman, and TEM characterizations confirm that both materials possess a pure spinel phase, uniform particle size, and homogeneous elemental distribution. Notably, electrochemical evaluations reveal that HEO-Al delivers a superior reversible capacity of 480.7 mAh g −1 after 100 cycles at 0.1 A g −1 , and maintains 354.5 mAh g −1 after 1000 long-term cycles at 1 A g −1 , significantly outperforming HEO-Mg. Kinetic analysis indicates that HEO-Al exhibits lower charge transfer resistance, a higher Li + diffusion coefficient, and a pseudocapacitive contribution of up to 82%. Furthermore, these findings demonstrate that Al substitution effectively optimizes the structural stability and lithium storage kinetics of Co-free HEOs, providing a viable strategy for designing low-cost, highly stable HEO anode systems.

Anode materials

Predicting Atomistic Transitions with Transformers

Accurate knowledge of the atomistic transition pathways in materials and material surfaces is crucial for many material science problems. However, conventional simulation techniques used to find these transitions are extremely computationally intensive. Even with large-scale, accelerated material simulations, the computational cost constrains the applicable domain in practice. Machine learning models, with the potential to learn the complex emergent behaviors governing atomistic transitions as a fast surrogate model, have great promise to predict transitions with a vastly reduced computational cost. Here, we demonstrate how transformers can be trained to predict atomistic transitions in nano-clusters. We show how we evaluate physical validity of the predictions and how a multitude of additional, different microstates can be generated by slightly varying the data provided to the model.

36 MATERIALS SCIENCE