Search NASA⌕ Search

SEARCH · Search NASA

Results for “materials modeling”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

1,093 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Gyromagnetic nonlinear transmission line for radio frequency signal generation and pulse compression

Disclosed are non-linear transmission lines using ferromagnetic materials to generate ferromagnetic resonance oscillations. In one aspect, a non-linear transmission line apparatus is disclosed. The apparatus includes an outer conductor having a first side and a second internally facing side, and an inner conductor positioned internal to the non-linear transmission line apparatus. The apparatus further includes a ferromagnetic material surrounding the inner conductor, wherein the ferromagnetic material comprises nanoparticles of an ε-polymorph of iron oxide expressed as ε-Fe2O3. The apparatus also includes a first dielectric material positioned between the outer conductor and the inner conductor, the dielectric material in contact with both the ferromagnetic material and with the second internally facing side of the outer conductor, wherein the outer conductor, the inner conductor, the dielectric material and the ferromagnetic material form the nonlinear transmission line.

Schneider, Joseph Devin↗
DOE OSTI2023

Photoelectrochemical materials for solar energy conversion

Research and development on semiconductors for applications in solar energy conversion has witnessed rapid growth over the past several decades. With the aim of producing chemical fuels from sunlight, intense research efforts have focused on the discovery of semiconductors with crystalline structures and chemical compositions that have the potential to satisfy the complex set of required photoelectrochemical properties. This chapter focuses on the foundational structure-property relationships of selected oxide and nitride semiconductors relevant to their uses as n-/p-type photoelectrodes and as photocatalysts. Their solid-state structures and compositions are described, with a special emphasis on strategies proven effective at targeting suitable band gaps with strong visible-light absorption, efficient charge separation and diffusion of charge carriers, and optimal band edge energies for driving surface redox reactions for water splitting.

O’Donnell, Shaun↗
DOE OSTI2026

Dynamic Interfacial Design in Adaptive Hybrid Materials Enables Reversible and Tunable Mechano-Optic Smart Responses

Next-generation polymeric materials are shifting toward adaptive and interactive behaviors of living systems; however, designing materials that can reversibly modulate optical properties under mechanical deformation while maintaining mechanical robustness remains a key challenge. Here, we report a mechanically robust vitrimer-based adaptive hybrid material (AHM) that exhibits a stretch-induced reversible transparency-to-opacity transition, enabled by the integration of dynamic interactions at the polymer–silica nanoparticle interface and controlled nanoparticle self-assembly. The AHM combines boronic ester–functionalized polystyrene-b-poly(ethylene-co-butylene)-b-polystyrene (S-Bpin) with diol-functionalized silica nanoparticles (diol-SiNPs) to form a hybrid network hosting both dynamic boronic ester and hydrogen-bonding interactions. These reversible linkages facilitate controlled nanoparticle self-assembly and enable strain-induced nanoparticle alignment/aggregation. Upon stretching, SiNP-rich domains align and aggregate within the polymer matrix, while local modulus mismatch between stiff aggregated SiNP/borylated-styrene-rich regions and the softer elastomeric midblock induces surface microwrinkle formation. These internal aggregates and surface wrinkles cooperatively enhance light scattering, producing the opaque state under strain. Furthermore, the tailored AHM exhibits high toughness, thermomechanical stability, reprocessability, and programmable shape-memory behavior. This work presents a dynamic interfacial design strategy for mechanically robust, optically reconfigurable, and reusable soft materials for adaptive optics, smart windows, sensing, soft robotics, and circular smart-material platforms.

adaptive hybrid materials↗
DOE OSTI2026

Humins-Derived Hard Carbon as a Low-Cost Material for Sodium-Ion Battery Anodes

The growing demand for sodium-ion batteries (SIBs) in grid storage underscores the need for electrode materials that balance performance and cost, including sustainable and robust carbon sources. The equitable and abundant distribution of materials for SIBs, along with their superior low-temperature performance, safety, and fast-charging capability, further distinguishes them from lithium-ion batteries (LIBs). Hard carbon (HC) is the state-of-the-art anode for SIBs, but current commercial HC production is localized mostly to one region of the world, raising concerns about supply chain vulnerability, critical material dependency, and environmental aspects. Here, the first demonstration of humins, an abundant biorefinery byproduct, as a precursor for HC anodes for sodium-ion storage is reported. Humins were carbonized at 1100 degrees C-1300 degrees C, and the resulting materials were subjected to comprehensive materials and electrochemical characterization. Among the temperatures studied, humins-derived hard carbon synthesized at 1200 degrees C delivers an initial reversible capacity 270mA h g-1 , with stable cycling performance up to 500 cycles and excellent rate capability, representing the optimal performance. This study establishes humins as a promising and low-cost carbon source that provides a route to mitigate supply chain risks and valorizes an underutilized biorefinery waste stream for high-performance SIB anodes.

25 ENERGY STORAGE↗
DOE OSTI2026

Observations of Offshore Low‐Level Jets Off the U.S. East Coast Reveal Systematic Biases in ERA5 and HRRR

Low-level jets (LLJs)—wind speed maxima typically occurring a few hundred meters above the surface—are common off the U.S. East Coast and influence many atmospheric processes with societal importance, including cloud formation, aviation safety, and search-and-rescue. However, their vertical structure and frequency remain poorly quantified due to limited offshore observations. This study presents new scanning Doppler LiDAR and infrared spectroradiometer data from the 2024 summer deployment of an offshore barge during the Wind Forecast Improvement Project 3. These coupled wind and temperature profiles provide unprecedented resolution to assess LLJ behavior and model performance. LLJs occurred in over 21% of observed profiles, with a weak diurnal preference for nighttime and early morning hours and maximum winds typically near 300 m. Both ERA5 and High-Resolution Rapid Refresh analysis underestimate jet wind speeds and misrepresent the boundary layer thermal structure. These results highlight persistent model biases and the critical need for high-resolution offshore observations.

17 WIND ENERGY↗
DOE OSTI2025

Photosynthetic capacity is reduced by warming but unaffected by elevated CO2 in seedlings of five boreal tree species

Abstract Increasing atmospheric CO2 concentrations fuel global warming, with boreal regions warming at a faster rate than many other areas. Boreal forests are an important component of the global carbon cycle, yet we have little data on photosynthetic responses of boreal trees to elevated CO2 (EC) and warming. We grew seedlings of 5 widespread North American boreal tree species (from Betula, Larix, Picea, and Pinus) under current (410 ppm) or elevated (750 ppm) CO2 and either ambient (+0 °C) or increased (+4 °C or +8 °C) temperature, then measured photosynthetic traits over a range of leaf temperatures. Our results were generally consistent across species: photosynthetic capacity (maximum rates of Rubisco carboxylation, Vcmax, and electron transport, Jmax) was unaffected by EC but decreased under +8 °C warming. Accordingly, net photosynthesis measured at the growth CO2 concentration (Agrowth) was reduced under warming and increased under EC. The thermal optimum for Agrowth (ToptA) increased by ∼1.8 °C with EC but increased with warming in only two species. In contrast, the activation energies and thermal optima for Vcmax and Jmax, which are used to estimate photosynthesis in Earth System Models, were unaffected by growth environment. There were a few interactions between growth, CO2, and warming. These results suggest increased photosynthesis of widespread boreal tree species under EC may be offset by future reductions in photosynthetic capacity related to warming. We also show that the temperature sensitivities of parameters used to estimate global photosynthesis in large-scale models are generally unaffected by simulated climate change in these species.

Plant Sciences↗
DOE OSTI2026

Nanohybrid of Cu2O-Ti3C2Tx as a Silver-Free MXene Sorbent for Iodine Gas Capture from Nuclear Waste

The capture of volatile radioiodine from nuclear fuel reprocessing off-gas streams remains a critical challenge due to the high volatility, long half-life of 129I, and biological uptake of iodide from the environment. Although silver-based sorbents provide strong iodine chemisorption, their high cost and regulatory classification as mixed radioactive-hazardous waste motivate the development of alternative materials. Here, we report a silver-free Cu2O-Ti3C2Tx MXene hybrid for iodine gas capture at 150 °C. Structural and compositional analyses confirm the formation of Cu2O nanoparticles on Ti3C2Tx nanosheets and their subsequent conversion to thermodynamically stable CuI upon static iodine gas exposure, achieving an iodine mass loading of up to 1115 mg/g. These results demonstrate the potential of Cu2O-Ti3C2Tx MXene as a copper-based alternative to silver sorbents for elevated-temperature iodine gas capture.

iodine gas capture↗
DOE OSTI2026

Identification of potent inhibitors of JUN N-terminal kinases for treatment of endometriosis and associated pain

Endometriosis, defined as the ectopic growth of endometrial tissue outside of the uterine cavity, is an inflammatory and hormone-dependent disease that causes excruciating pelvic pain, infertility, and significantly decreases quality of life in affected patients. The JUN N-terminal kinases (JNKs) are a leading class of nonhormonal therapeutic targets that have been validated in preclinical models of endometriosis and in a Phase 1/2 clinical trial. Despite their therapeutic potential, JNK inhibitors with increased potency and specificity are needed to address the inflammatory pathology of endometriosis and to prevent disease progression. Leveraging a DNA-encoded chemical library collection of ~4 billion compounds, we identified lead inhibitor CDD-2428 and optimized derivatives, CDD-2728 and CDD-3013, with excellent binding affinity to JNK1-3 (K d = 0.12 to 3.7 nM), enhanced selectivity, metabolic stability, and cellular permeability. Crystallographic and biochemical studies confirmed that CDD-3013 exhibited superior kinase selectivity with improved efficacy compared to existing JNK inhibitors. In primary endometriosis cell models, CDD-2728 and CDD-3013 suppressed JNK-dependent inflammatory signaling, dampening pathways linked to pain, invasion, angiogenesis, and macrophage recruitment. In an endometriosis mouse model, both CDD-2728 and CDD-3013 reduced endometriotic lesion size, macrophage infiltration, and cellular proliferation, showing in vivo efficacy. When tested in a lipopolysaccharide-induced hyperalgesia model, CDD-2728 and CDD-3013 decreased markers of induced pain, as measured by changes in a dynamic weight bearing test and Grimace scores. These findings nominate CDD-2728 and CDD-3013 as potent, nonhormonal therapeutic candidates for endometriosis with broad anti-inflammatory and analgesic activity, addressing a critical unmet clinical need.

Madasu, Chandrashekhar [Department of Pathology an↗
DOE OSTI2026

Triggerable adhesives with infinite working life for large area application

Oak Ridge National Laboratory (ORNL) Manufacturing Demonstration Facility (MDF) entered a User Proposal with Perseus Materials in Knoxville, TN. By reinventing how composites are made, we unlock a new era of structural materials: faster to produce, easier to assemble, and strong enough for real-world scale. Perseus Materials was targeting the wind turbine industry to make large adhesive joints for composite turbine blades without the limitations of cure time and room temperature cure without the needs to have work times. The triggerable aspect would increase manufacturing rates for composite wind turbine blades.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Dynamics of Radiation Damage Buildup in Ultrathin Hexagonal Boron Nitride Films under Ion Bombardment

Two-dimensional hexagonal boron nitride (hBN) is attractive for several emerging applications. Ion bombardment can be used to modify the hBN properties. However, the understanding of radiation damage buildup in hBN remains limited. Here, we investigate the effects of the dose rate and ion mass on radiation damage buildup by studying 40 nm-thick hBN films bombarded at room temperature with 500 keV 4 He, 15 N, 40 Ar, and 129 Xe ions and comparing with results for ion bombardment of polycrystalline hBN ceramics. Raman spectroscopy is used to quantify damage buildup, and transmission electron microscopy is used for microstructural analysis. Experiments are complemented by molecular dynamics simulations of the formation and evolution of point defects. Lighter ions are found to be more efficient at disordering hBN than heavier ions. This observation points to a critical role of intracascade defect processes. In contrast, a negligible dose rate effect observed suggests limited intercascade defect dynamic annealing processes for these irradiation conditions. These findings provide a fundamental basis for hBN defect engineering.

2D materials↗
DOE OSTI2026

Observed Land Surface Influence on Atmospheric Heat and Moisture Profiles During Interstorms

Land-atmospheric (L-A) feedbacks have historically been studied using models whose structure and parameterizations influence outcomes and insights. The representation of L-A feedbacks based on observations alone remains an ongoing challenge for understanding boundary layer development and precipitation. To address this gap, we use ground-based passive remote sensing and in-situ observations to present an analysis of the atmosphere during 103 interstorm soil moisture drydown events spanning nine warm seasons (2016–2024) in the U.S. Southern Great Plains region. By separating events based on local L-A coupling signals and characterizing the profiles of atmospheric heat and moisture to surface energy flux behavior, we investigate the physical mechanisms linking land surface processes to boundary layer development. We find that during interstorm drydowns, the atmospheric column follows a consistent pattern: moisture increases within the boundary layer, peaks near its top, and declines rapidly above, while warming occurs through the depth. Drydowns that shift toward evaporation produce stronger and deeper thermodynamic responses than cases dominated by sensible heating, which are weaker and shallower. Additionally, moisture is accumulated faster within the boundary layer during shorter drydowns, with longer drydowns representing slower, moisture-limited growth. Drydowns with wetter initial soil moisture will sustain stronger moistening within and above the boundary layer, accelerating buoyancy growth and convective potential toward the next storm. These results provide observational evidence linking surface flux evolution to boundary layer thermodynamics and offer a process-level benchmark for evaluating coupled L-A representations in models and demonstrating the influence of soil moisture on short-term weather forecasting skill.

Zhang, M. S. [Massachusetts Inst. of Technology (M↗