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DOE OSTI2026

Synthesis and application of thermally responsive nanofiber coatings for overtemperature monitoring

This study presents a one-pot synthesis route to organometallic nanofibers based on copper thiolate, exhibiting distinctive chemical and physical characteristics. Electron microscopy analysis of morphology and composition revealed 2-10 μm-long, 50-90 nm-diameter hollow and non-hollow fibers composed of copper, sulfur, oxygen, hydrocarbon, and chlorine. Thermogravimetric analysis showed a pronounced mass loss within 120°C-135°C. To elucidate the thermal responsive pathways, the nanofibers were characterized before and after heating. X-ray photoelectron spectroscopy indicates that an initially mixed Cu(I)/Cu(II) oxidation states transition to predominantly Cu(I) upon heating. A layer of nanofiber was coated on battery pouch foil and evaluated as a candidate thermally sensitive coating. At elevated temperature (100-130°C), nanofiber coating released volatile organic compounds, sulfide and sulfur dioxide as detected using multiple gas sensors. This thermally responsive gas release/sensing approach provides a potential large-area temperature monitoring strategy, which is particularly relevant where direct temperature measurements of individual batteries is impractical. The results established proof of concept for nanofiber-coated battery pouch foil as overtemperature warning platform that can provide alerts when surface temperatures exceed a critical threshold. More broadly, the ability to form interconnected fiber networks positions copper thiolate nanofiber coatings as promising materials for advanced applications.

Ihala Gamaralalage, Chanaka [ORNL] (ORCID:00000002↗

DOE OSTI2026

Ionic Interdiffusion at Cathode|Solid-Electrolyte Interface: A Machine Learning–Assisted Multiscale Investigation and Mitigation Strategies

Future lithium batteries are expected to use solid electrolytes to achieve higher energy density and fast charge capabilities. However, most solid electrolytes are thermodynamically unstable against layered oxide cathodes. In this study, the stability of LiCoO2 (LCO) cathode with Li10GeP2S12 (LGPS) solid electrolyte is investigated using ab initio molecular dynamics (AIMD) and machine learning molecular dynamics (MLMD). The propensity of ionic interdiffusion, formation of a passivating interphase layer, and corresponding decay in cell performance is addressed using a continuum model. Large-scale MLMD simulations confirm that the LCO|LGPS interface permits interdiffusion of cobalt (Co) and other ionic species, leading to the formation and growth of a resistive interphase and to dramatic capacity fade even in the first cycle. We examine the literature evidence that incorporating a thin layer of LiNb0.5Ta0.5O3 (LNTO) between LCO and LGPS prevents the interdiffusion of ions. Atomistic simulations suggest that substituting lithium (Li) in LNTO with Co is thermodynamically unfavorable, thereby inhibiting ionic interdiffusion. The stable Nb5+/Ta5+ states form a rigid metal-oxide framework, which consequently also prevents the substitution of niobium (Nb) or tantalum (Ta). However, continuum-level analysis suggests that the higher mechanical stiffness of LNTO can lead to interfacial delamination between the LCO and LNTO. This phenomenon reduces the effectiveness of the protective layer. This paper, therefore, highlights the need to develop novel interlayers that balance low ionic interdiffusion with low mechanical stiffness.

Ncube, Musawenkosi K.↗

NASA NTRS2008

Characterization of a New Phase and Its Effect on the Work Characteristics of a Near-Stoichiometric Ni30Pt20Ti50 High-Temperature Shape Memory Alloy (HTSMA)

A new phase observed in a nominal Ni 30 Pt 20 Ti 50 (at.%) high temperature shape memory alloy has been characterized using transmission electron microscopy and 3-D atom probe tomography. This phase forms homogenously in the B2 austenite matrix by a nucleation and growth mechanism and results in a concomitant increase in the martensitic transformation temperature of the base alloy. Although the structure of this phase typically contains a high density of faults making characterization difficult, it appears to be trigonal (-3m point group) with a o ~1.28 nm and c o ~1.4 nm. Precipitation of this phase increases the microhardness of the alloy substantially over that of the solution treated and quenched single-phase material. The effect of precipitation strengthening on the work characteristics of the alloy has been explored through load-biased strain-temperature testing in the solution-treated condition and after aging at 500 ºC for times ranging from 1 to 256 hours. Work output was found to increase in the aged alloy as a result of an increase in transformation strain, but was not very sensitive to aging time. The amount of permanent deformation that occurred during thermal cycling under load was small but increased with increasing aging time and stress. Nevertheless, the dimensional stability of the alloy at short aging times (1-4 hours) was still very good making it a potentially useful material for high-temperature actuator applications.

A Garg↗

DOE OSTI2026

Heavy long-lived dark vector via a gluonic portal

We study a dark gauge boson Z′ that exclusively couples to the QCD gluons through higher dimensional operators. These operators are generated from integrating out of heavy ultraviolet resonances carrying both QCD and dark gauge charges. With SU(3)C gauge invariance, charge and parity symmetries preserved, we find that the leading effective operators are restricted to have the form of Z′GGG and Z′Z′GG at dimension-eight, which can naturally render the Z′ particle long-lived, and serve as a viable dark matter candidate. We investigate the phenomenology of these operators with both collider experiments and cosmological observation, without and with the assumption that this dark gauge boson plays the role of the dominant dark matter component. For an unstable Z′, we show that depending on its lifetime, it can be probed by various observables up to ultraviolet physics scale around 10 9 GeV. For Z′ being dark matter, we find that $m_{Z'}$ ≳ 1 TeV is consistent with the thermal freeze-out scenario. In contrast, in the freeze-in scenario, the extremely small couplings leave the relevant parameter space largely unconstrained by current experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRSDate not supplied

A Simplified Model of VIPER Thermal Management System. Part II: Integrated Vehicle

NASA’s Volatiles Investigating Polar Exploration Rover (VIPER) thermal management system (TMS) relies on four loop heat pipes (LHPs) to transport electronic waste heat to the vehicle cooling radiative surface and avoid overheating. The TMS has also ten constant conductance heat pipes (CCHPs) dedicated to balance the thermal load within the internal environment where the avionics boxes are mounted, also called warm electronic box (WEB), and to transport the heat from two of the science payload instruments. The TMS also uses two thermal straps to thermally link the batteries to the WEB. These thermal components, in addition to heaters, thermostat, multi-layer insulation (MLIs), and isolators forms the core of the VIPER TMS. The complex heat transport balance managed by the TMS is challenging to characterize and model. The more fidelity and granularity of a model, the more costly the computational resources needed and the longer the simulation and modeling time. When the priority is to provide quick but reliable assessments of the thermal performance or real time thermal feedback for training of console operators, simplified modeling tools are needed. To satisfy that need, this paper describes the effort to develop and correlate a model of VIPER TMS based on control volume approach. The correlation effort in particular focuses on hibernation, cold thermal balance, and hot thermal balance data from the integrated vehicle thermal vacuum (TVAC) test. Thus, the correlated model captures the heat leaks during hibernations and the performance at two extremes, bounding, operating scenarios.

Loop Heat Pipe↗

NASA NTRSDate not supplied

A Simplified Model of VIPER Thermal Management System. Part II: Integrated Vehicle

Thermal Modeling↗

NASA NTRS2026

Isotopic Signature of Organic Molecules from Beyond the Solar System: An Enriched Methane D/H Ratio in the Interstellar Object 3I/ATLAS

Interstellar objects are interlopers from other planetary systems, and their volatile compositions provide a glimpse into planet formation around their host star. We present near-infrared spectra of the coma of interstellar object 3I/ATLAS measured with the James Webb Space Telescope. Our results demonstrate an unexpectedly high D/H = (3.31 ± 0.34)% for methane and represent an exceedingly rare detection of deuterated organic molecules in an interstellar object. This D/H ratio is a factor of 14 ± 2 higher than that measured in comet 67P/Churyumov-Gerasimenko by the Rosetta spacecraft, the only other comet for which CH3D has been detected, yet the ratio of deuteration in methane compared with water is consistent for both comets within 1.2σ. The D/H ratio in methane is observationally unconstrained in extrasolar sources to date, but the enriched ratio in 3I/ATLAS is most similar to those measured in other organic molecules toward primitive environments. The high D/H ratios of water and methane in 3I/ATLAS are a natural consequence of formation in a high D/H elemental ratio environment as a result of locally cold conditions in the protoplanetary disk and prior interstellar cloud. Thus, 3I/ATLAS formed in an environment very different from that in which our Sun and planets originated.

Interstellar Object 3I/ATLAS↗

DOE OSTI2026

Topographic effects on reflected acoustic waves from the OSIRIS-REx reentry observed from stratospheric balloons

During long-distance sound propagation in planetary atmospheres, acoustic waves may reflect off the air/surface interface one or more times. For low sound frequencies and flat interfaces, the incident and reflected wave tend to be nearly identical. However, this may not be the case when the downgoing acoustic wave encounters topography. Here, we describe a set of direct and reflected acoustic signals recorded on free-flying balloons during the hypersonic entry of the OSIRIS-REx sample return capsule (SRC). In two of the three cases presented here, an impulsive reflected arrival similar in form to the direct sonic boom of the SRC is observed, followed by a diffuse coda. In contrast, one of the floating stations lacked an impulsive reflection entirely, with only the coda present. We use full waveform modeling to show how reflection in the presence of complex topography can explain coda seen in all three examples as well as the lack of impulsive arrival on the third. Our results indicate that the complex signals often observed in long range acoustic propagation could be due, in part, to interactions with topography during transmission.

Lees, Jonathan M. [University of North Carolina, C↗

DOE OSTI2026

Temperature-Dependent Transport Characteristics of 2D MoS2 Channel FETs Grown Using Salt-Based Precursors

D Transition Metal Dichalcogenides (TMDs), particularly MoS2, are promising candidates for sub-10 nm Gate All Around (GAA) CMOS FETs. Salt-assisted Chemical Vapor Deposition (CVD) enable lateral MoS2 growth at atmospheric pressure and low temperatures. This work analyzes salt-based precursor-driven CVD-grown MoS2 FETs at various temperatures. MoS2 was grown using Ammonium Molybdate salt, sulfurized at 750∘C, and transferred onto p−Si3/SiO2 substrates. At room temperature, threshold voltage (VT) ranged from -35 V to -25 V, with a peak drain current of 1.2μA/μm. As temperature increased above 325K, VT shifted exponentially, and carrier mobility dropped significantly. At 400 K, the gate lost channel control, though gate leakage current remained low. These results are compared with non-salt-based MoS2 growth to assess salt precursor effects.Notice: This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the US Department of Energy (DOE). The US government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for US government purposes. DOE will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (https://www.energy.gov/doe-public-access-plan).

Jones, Andrew [ORNL] (ORCID:0009000233849687)↗

DOE OSTI2026

Graphitization of banana peel – synergistic effect of Ca and other elements of the biomass on carbon structure transformation

Recently, growing interest has been observed in using calcium as an effective catalyst for graphitizing disordered carbon materials derived from biomass and bioprecursors, such as cellulose and lignin, at relatively low tem peratures (<2000 °C). Herein, it is demonstrated that in the presence of elements such as calcium, silicon, sulfur, and potassium, which are abundant in banana peel composed of cellulose and lignin base, graphitization occurs much more effectively. The addition of external calcium source, in the form of calcium carbonate, to the banana peel-derived carbon and heat-treatment of the mixture under protective atmosphere up to 1750 °C results in a significant increase in the degree of the graphitization order and local formation of graphite crystals, whereas the same preparation and heat-treatment procedure applied to carbon material derived from pristine cellulose does not lead to such effective graphitization. It is indicated that the graphitization of banana peel carbon occurs due to the synergistic effect of the external Ca-based catalyst and the internal elements present in the raw biomass, supporting the transformation of the disordered graphene-like layers into graphitic structures. These findings are important for the future production of green graphite from biomass

09 BIOMASS FUELS↗

NASA NTRS2026

Modeling Study of Hatch Spacing’s Effect on Grain Morphology in Repairing Damaged Metal Parts with Welding and Hatch Spacing’s Potential Use in Lunar Exploration

The welding process is a potential way of repairing a damaged metal component, especially cavity damage caused by a harsh environment like the lunar environment, which is characterized by large temperature differences and reduced gravity. The adjustment of welding parameter (e.g., hatch spacing) can improve production efficiency in the repair process. Seen from the microstructural level, hatch spacing sensitivity affects the metallic grain evolution and morphology in the welding process, which can further influence a repaired part’s mechanical properties; however, the study of hatch spacing’s effect on microstructure is challenging. Traditional experimental procedures are costly and time-consuming, and any change in hatch spacing value needs roll-back of experimental procedure. A modeling study can address the above challenges in experimental observation. In this research, a modeling approach based on the Kinetic Monte Carlo (KMC) Potts theory was used to simulate grain evolution and morphology with three hatch spacings. Through quantifying and analyzing the predicted grain morphologies, the effect of hatch spacing on microstructure in a welding-fabricated part was investigated. The predicted grain morphologies were validated with an EBSD image of welding microstructure, which has been published before. The primary grain morphologies were columnar grains with a small amount of fine equiaxed grains formed in the scanning path centerline. When increasing the hatch spacing, the columnar grains become larger and more lengthy, while the effect of hatch spacing on the equiaxed grains is not obvious.

Welding for repairing↗

DOE OSTI2026

SODAs: sparse optimization for the discovery of differential and algebraic equations

Differential-algebraic equations (DAEs) integrate ordinary differential equations (ODEs) with algebraic constraints, providing a fundamental framework for developing models of dynamical systems characterized by time-scale separation, conservation laws and physical constraints. While sparse optimization has revolutionized model development by allowing data-driven discovery of parsimonious models from a library of possible equations, existing approaches for dynamical systems assume DAEs can be reduced to ODEs by eliminating variables before model discovery. This assumption limits the applicability of such methods for DAE systems with unknown constraints and time scales. We introduce sparse optimization for differential-algebraic systems (SODAs), a data-driven method for the identification of DAEs in their explicit form. By discovering the algebraic and dynamic components sequentially without prior identification of the algebraic variables, this approach leads to a sequence of convex optimization problems. It has the advantage of discovering interpretable models that preserve the structure of the underlying physical system. To this end, SODAs improves since SODAs is singular numerical stability when handling high correlations between library terms, caused by near-perfect algebraic relationships, by iteratively refining the conditioning of the candidate library. We demonstrate the performance of our method on biological, mechanical and electrical systems, showcasing its robustness to noise in both simulated time series and real-time experimental data.

DAE↗

DOE OSTI2026

Plasma flow generation and particle acceleration from expanding magnetic bubbles

Impulsive plasma dynamics in the laboratory are often driven by rising electric currents, yet their quantitative plasma response has not been well established. By means of fully kinetic particle-in-cell simulations and laser-driven capacitor-coil experiments, we show that a rising current expels plasma, forming an expanding magnetic bubble and accelerating particles. The expansion front velocity scales with the Alfvén speed determined by the magnetic field at its inner edge and the plasma density at its outer edge. This mechanism establishes impulsive current drive as a fundamental way that generates plasma flows and accelerates particles in laboratory plasmas, with potential relevance to astrophysics.

Zhang, Yang [Princeton University, NJ (United Stat↗

DOE OSTI2026

Thermodynamics of Tritium Trapping by Point Defects at Interfacial Cr-based Phases of the Al Coating

Density functional theory (DFT) simulations have been carried out to evaluate the potential for tritium trapping by metal vacancies in four phases Cr-containing phases (i.e., Cr3Si, Al0.3Cr0.7, Al8Cr5-HT, and Al8Cr5) identified near the interface between the Al coating and 316 stainless steel (316 SS) cladding. In addition, an ab initio thermodynamics approach has been employed to predict the temperature and T2-partial pressure dependence on the thermodynamics of singly tritiated defects. Key results in this work suggest that metal vacancies in the four phases have the potential to favorably trap tritium species, especially Si vacancies in Cr3Si phase. This overall thermodynamic trend can be correlated to the energy cost of having an interstitial tritium in the lattice, which has been calculated to range from 0.17 eV in Al8Cr5-HT to 0.89 eV in Cr3Si. A comparison of the results from this study with previous theoretical works investigating tritium behavior in other Fe-Al phases identified in the aluminide coating, suggests that metal vacancies are generally able to trap tritium in various Fe-Al aluminide phases. Especially, it was found that Si and Al vacancies would be the most efficient to trap for tritium, followed by Cr vacancies, then Fe and Ni vacancies. In the four Cr-based material phases investigated in this work, it is interesting to note that, in the absences of Fe or Ni species, strong interactions between tritium and the metal vacancies are always occurring by the formation of preferential Cr—T bonds (i.e., no Si—T or Al—T bonds were formed).

Sassi, Michel J.↗

NASA NTRS2026

Thermochemical Stability of Ca2Yb8(SiO4)6O2 Apatite in Presence of Molten Calcium-Magnesium-Aluminosilicate (CMAS)

Thermochemical stability of ytterbium silicon oxyapatite Ca 2 Yb 8 (SiO 4 ) 6 O 2 (CYbS) in the presence of molten calcium-magnesium aluminosilicate (CMAS) has been investigated at elevated temperatures for consideration as a thermal and environmental barrier coating (T/EBC) material. CYbS apatite powder was synthesized from the constituent oxides via a solid-state reaction method. Hot-pressed apatite substrates were exposed to molten CMAS at 1200, 1300, and 1400 °C for 1, 10, and 50 h. Development of phases in the interaction region of the heat-treated specimens was monitored using scanning electron microscopy, transmission electron microscopy, high-angle annular dark-field imaging, selected area electron diffraction, and energy dispersive x-ray spectroscopy. Monoclinic cyclosilicate Ca 3 Yb 2 (Si 3 O 9 ) 2 formed from interaction of CYbS apatite with CaO in the CMAS melt at the apatite-CMAS reaction front and continued to nucleate and grow within the residual CMAS in diffusion couples annealed for 1 to 50 h at 1200 °C as well as in those heat treated at 1300 °C for 1 h. Residual CMAS was depleted of Ca when cyclosilicate was present. Dendritic wollastonite (CaSiO3) was observed within the residual CMAS in couples annealed at 1200 and 1300 °C. Ingress of molten CMAS, because of its exponential decrease in viscosity, occurred through open pores and along the grain boundaries of the apatite substrates without any detectable chemical reaction at 1300 and 1400 °C. Results of this study indicate that Ca 2 Yb 8 (SiO 4 ) 6 O 2 apatite has the potential to mitigate the CMAS corrosion up to about 1200 °C but not at higher temperatures.

Narottam P Bansal↗

DOE OSTI2025

Three-dimensional nucleation and growth of deformation twins in magnesium

At two-thirds the weight of aluminum, magnesium alloys have the potential to reduce the fuel consumption of transportation vehicles. These advancements depend on our ability to optimize the desirable versus undesirable effects of deformation twins, which are three-dimensional (3D) microstructural domains that form under mechanical stresses. Previously only characterized through surface or thin-film measurements, we here present 3D in situ characterization of deformation twinning inside an embedded grain over mesoscopic fields of view using dark-field x-ray microscopy supported by crystal plasticity finite element analysis. The results revealed the role of triple junctions on twin nucleation and the sequence and irregularity of twin growth and showed that twin-grain junctions, twin-twin junctions, and twin boundaries were the sites of localized dislocation accumulation.

Lee, Sangwon [Univ. of Michigan, Ann Arbor, MI (Un↗

DOE OSTI2026

Monolayer Films of Binary Metal Oxide Nanoparticles for Carbon Nanotube Synthesis

Binary metal oxide nanoparticles (biMO-NPs) combining transition and main-group metals with well-organized atomic architectures have unique potential as robust and economical heterogeneous catalysts. Herein, metal oxide nanoparticles (CoAlxOy) using cobalt and aluminum were synthesized, and their structure, morphology, and chemical composition were investigated using various characterization techniques. The biMO-NPs, which had a Gaussian-type size distribution (∼6 nm), were assembled on plain silicon substrates modified chemically with linker molecules bearing suitable end groups. Surface analysis revealed an ordered, uniform, close-packed arrangement of biMO-NPs forming a monolayer architecture with nanoscale thickness (∼12 nm), high surface uniformity, and negligible defects. The nanoparticle monolayer film (NP-MF) was employed as a catalyst to grow carbon nanotube (CNT) forests via the thermal chemical vapor deposition (CVD) method, similar to those grown from catalyst thin films deposited by physical vapor deposition. Structural characterization confirmed the growth of a dense, uniform, high-quality vertically aligned carbon nanotube (VA-CNT) forest with a length of ∼125 µm, which is comparable to the VA-CNTs grown from expensive thin films. Thus, CNT growth was successfully catalyzed by the biMO-NPs, highlighting a simple and inexpensive alternative for catalyst deposition. In this innovative wet-chemistry approach, the catalyst and catalyst support are combined within a single nanoparticle before NP-MF assembly. Interestingly, this approach provides a scalable and cost-effective pathway for CNT growth, eliminating the need for expensive thin deposition techniques.

Regmi, Bishow [University of Cincinnati]↗

NASA NTRS2000

The NASA Inductrack Model Rocket Launcher at the Lawrence Livermore National Laboratory

The Inductrack magnetic levitation system, developed at the Lawrence Livermore National Laboratory, is being studied for its possible use for launching rockets. Under NASA sponsorship, a small model system is being constructed at the Laboratory to pursue key technical aspects of this proposed application. The Inductrack is a passive magnetic levitation system employing special arrays of high-field permanent magnets (Halbach arrays) on the levitating carrier, moving above a "track" consisting of a close-packed array of shorted coils with which are interleaved with special drive coils. Halbach arrays produce a strong spatially periodic magnetic field on the front surface of the arrays, while canceling the field on their back surface. Relative motion between the Halbach arrays and the track coils induces currents in those coils. These currents levitate the carrier cart by interacting with the horizontal component of the magnetic field. Pulsed currents in the drive coils, synchronized with the motion of the carrier, interact with the vertical component of the magnetic field to provide acceleration forces. Motional stability, including resistance to both vertical and lateral aerodynamic forces, is provided by having Halbach arrays that interact with both the upper and the lower sides of the track coils. In its completed form the model system that is under construction will have a track approximately 100 meters in length along which the carrier cart will be propelled up to peak speeds of Mach 0.4 to 0.5 before being decelerated. Preliminary studies of the parameters of a full-scale system have also been made. These studies address the problems of scale-up, including means to simplify the track construction and to reduce the cost of the pulsed-power systems needed for propulsion.

L S Tung↗