Search NASA⌕ Search

SEARCH · Search NASA

Results for “Formation”

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.

At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Electrochemistry-induced deposition for controlled formation of metal–organic framework films on insulator and conductor substrates

A number of technological applications of metal–organic frameworks (MOFs) require the formation of their thin films on insulator and/or conductor substrates at selected areas with desired thicknesses. However, fabrication of such MOF films often requires multi-step processes and/or sophisticated instruments. Herein, we discuss electrochemistry-induced MOF deposition, which permits the direct formation of a thin MOF film with controlled thickness at a desired area on various substrates. So far, we have reported the applicability of this deposition method for the formation of zeolitic imidazolate framework-8 (ZIF-8) films. In this method, a ZIF-8 film is formed on an insulator or a conductor substrate upon applying a cathodic potential to a working electrode that is placed above the substrate. Importantly, the film is formed just below the cathodic working electrode, indicating that the position and lateral dimensions (on the mm- to μm-scale) of the film can be controlled by those of the working electrode. In addition, film thickness is controllable in the range of tens to hundreds of nanometers by adjusting potential application conditions at the cathodic working electrode. These results show that the electrochemistry-induced deposition method will provide a simple means for the fabrication of a patterned MOF film on various substrates without additional lithographic processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Dynamics of inverse metal oxides on metal catalysts using spectro-kinetics: reversible Brønsted acid site formation and irreversible reduction

Brønsted acid sites (BASs) in inverse catalysts are vital for the selective hydrogenolysis of polyols, specifically cleaving secondary C–O bonds. These BASs form dynamically in situ in an H 2 environment. While H 2 enables rapid BAS generation on short timescales, it reduces the catalyst at prolonged exposures. The active center for BAS generation, the kinetics of BAS formation, its reverse decomposition, and the irreversible oxide reduction have lacked direct experimental evidence. Here, aided by advanced spectro-kinetic studies, we identify trimeric W 3 O x sites on Pt as the active centers for BAS generation, whereas isolated WO x species on SiO 2 act merely as spectator species, demonstrated using an inverse WO x /Pt catalyst as a representative system. A detailed kinetic profile capturing the dynamics of W 3 O x sites on Pt is also established. The rate constant for BAS formation is two orders of magnitude higher than for its decomposition, which is one order of magnitude faster than the irreversible site reduction. Co-fed H 2 O suppresses the site reduction by ∼50%. Furthermore, the H 2 partial pressure plays an important role. While lower gas-phase H 2 partial pressure does not influence the reversible BAS formation, it can significantly (∼3×) suppress catalyst reduction. Finally, these findings offer critical insights into optimizing reaction conditions through periodic H 2 pulsing, enhancing catalyst stability and performance in hydrogenolysis reactions.

Sourav, Sagar [Indian Inst. of Technology (IIT), M↗
DOE OSTI2025

The formation and structure of iron-dominated planetesimals

Metal-rich asteroids and iron meteorites are considered core remnants of differentiated planetesimals and/or products of oxygen-depleted accretion. Investigating the origins of iron-rich planetesimals could provide key insights into planet formation mechanisms. Using differentiation models, we evaluate the interior structure and composition of representative-sized planetesimals (~200 km diameter), while varying oxygen fugacity and initial bulk meteoritic composition. Under the oxygen-poor conditions that likely existed early in the inner regions of the Solar System and other protoplanetary disks, core fractions remain relatively consistent across a range of bulk compositions (CI, H, EH, and CBa). Some of these cores could incorporate significant amounts of silicon (10–30 weight%) and explain the metal fractions of Fe-rich bodies in the absence of mantle stripping. Conversely, planetesimals forming under more oxidizing conditions, such as beyond snow lines, could exhibit smaller cores, enriched in carbon, sulfur (>1 wt%), and oxides. Sulfur-rich cores, like those formed from EH and H bulk compositions, could remain partly molten, sustain dynamos, and even drive sulfur-rich volcanism. Additionally, bodies with high carbon contents, such as CI compositions, can form graphitic outer layers. These variations highlight the importance of initial formation conditions in shaping planetesimal structures. Future missions, such as NASA’s Psyche mission, offer an opportunity to measure the relative abundances of key elements (Fe, Ni, Si, and S) necessary to distinguish among formation scenarios and structure models for Fe-rich and reduced planetesimals.

meteorites↗
DOE OSTI2026

Collisionless Larmor coupling and blob formation in a laser-plasma expanding into a magnetized ambient plasma

Collisionless Larmor coupling is a fundamental process in space and astrophysical plasmas that enables momentum transfer between an expanding plasma and a magnetized ambient medium. Here, in this paper, we report on the laboratory experimental study of Larmor coupling leading to the formation of a plasma blob associated with a laser-driven, super-Alfvénic plasma flow on the Large Plasma Device at the University of California, Los Angeles. The high-repetition rate enables systematic spatial and temporal scans of the plasma evolution using Doppler spectroscopy, as well as measurements of the magnetic field, electrostatic field, and self-emission of both debris and ambient ions using filtered imaging. We observe the self-focusing of the laser-produced plasma and the formation of a secondary diamagnetic cavity associated with a blob composed of background ions. Doppler spectroscopy reveals the transverse velocity distribution of the background ions, providing direct evidence of ion energization via Larmor coupling. The systematic spatial and temporal scans enabled by the high-repetition-rate experiment allow for a detailed characterization of the ion dynamics. These experimental observations are supported by numerical simulations that provide more insight into the kinetic-scale physics associated with blob formation as well as the role of the ambient plasma density.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Barrierless nucleation in glassy precursors drives zeolite formation

Zeolites are crystalline, microporous silicates widely used in catalysis and separations, yet the molecular mechanisms of their formation remain unresolved. Experiments indicate that hydrothermal synthesis of silica zeolites from clear solution proceeds through amorphous nanoaggregates that gradually develop zeolite order in an apparently continuous amorphous to crystal transformation. Here, we combine molecular simulations with advanced algorithms that identify zeolite order and computer vision to elucidate the pathway from clear solution to zeolite nanocrystal. We show that at conditions of hydrothermal synthesis of silica zeolites, the transformation of precursor aggregate into zeolite is not limited by nucleation barriers but by the slow dynamics of reorganization in the glassy precursor matrix. The negligible nucleation barriers result in spinodal-like crystallization that leads to a gradual formation of a mosaic of small crystallites that explain the seemingly continuous character of zeolite crystallization and the catalytic activity of X-ray amorphous, protozeolites and embryonic zeolites. We find that zeolite-like porosity and short-range order emerge early within glassy precursors, well before crystallinity is detected in transmission electron microscopy (TEM) images or X-ray diffraction. The nanoaggregate’s temperature-size phase diagram reveals a convergence of the zeolite–amorphous equilibrium and maximum crystallization rate at ~3 nm diameter nanoparticle diameters and ~200 °C. This convergence signals the termination of the first-order amorphous-to-zeolite transition. Our results provide a unifying framework for understanding nucleation of silica zeolites from solution and suggest that barrierless nucleation may govern the formation of other nanoparticle systems, including minerals and oxides synthesized far below their bulk melting points.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Symmetry breaking during low-temperature domain formation in micron-sized magnetite crystals

We report the results of synchrotron Bragg Coherent x-ray Diffraction Imaging (BCDI) experiments to investigate domain formation in a micron-sized magnetite crystal undergoing the Verwey transition at low temperature. A strong splitting of the measured 311 Bragg reflection was observed in the low-temperature phase, indicating the formation of domains. BCDI revealed pronounced strain distributions, characterized by a clear layered stripe domain structure in real-space. Stripes were seen only along the [001] crystallographic direction, normal to the substrate surface direction, breaking the symmetry of the cubic high-temperature phase. It is argued that other domain directions were suppressed by the sample mounting orientation. More surprisingly, only a single domain orientation was observed, suggesting an additional symmetry-breaking influence originating from the shape of the crystal. Gaining insight into how thermal effects induce the formation of layered or striped phases offers a valuable framework for understanding the development of mesoscopic domains and strain patterns in functional materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Evaluating quenching in cosmological simulations of galaxy formation with spectral covariance in the optical window

ABSTRACT Cosmological hydrodynamical simulations provide valuable insights on galaxy evolution when coupled with observational data. Comparisons with real galaxies are typically performed via scaling relations of the observables. Here, we follow an alternative approach based on the spectral covariance in a model-independent way. We build upon previous work by Sharbaf et al. that studied the covariance of high-quality SDSS (Sloan Digital Sky Survey) continuum-subtracted spectra in a relatively narrow range of velocity dispersion ($\sigma \in [100,150]$ km s$^{-1}$). Here, the same analysis is applied to synthetic data from the eagle and IllustrisTNG100 simulations, to assess the ability of these runs to mimic real galaxies. The real and simulated spectra are consistent regarding spectral covariance, although with subtle differences that can inform the implementation of subgrid physics. Spectral fitting done a posteriori on stacks segregated with respect to latent space reveals that the first principal component (PC1) is predominantly influenced by the stellar age distribution, with an underlying age–metallicity degeneracy. Good agreement is found regarding star formation prescriptions but there is disagreement with active galactic nucleus (AGN) feedback, that also affects the subset of quiescent galaxies. We show a substantial difference in the implementation of the AGN subgrid prescriptions, regarding central black hole seeding, that could lead to the mismatch. Differences are manifest between these two simulations in the star formation histories stacked with respect to latent space. We emphasize that this methodology only relies on the spectral covariance to assess whether simulations provide a true representation of galaxy formation.

Sharbaf, Z. (ORCID:0009000450545946)↗
DOE OSTI2024

Thermal and electric field driven rf breakdown precursor formation on metal surfaces

The phenomenon of electric breakdown poses serious challenges to the design of devices that operate in high electric field environments. Experimental evidence points toward breakdown events that are accompanied by elevated temperatures and dark current spikes, which is attributed to high-asperity nanostructure formation that enhances the local electric field and triggers a runaway process. However, the exact mechanistic origin of such nanostructures under typical macroscopic operational conditions of electric field and magnetic-field-mediated heating remains poorly understood. In this work, we simulate the evolution of a copper surface under the combined action of the electric fields and elevated temperatures. Using a mesoscale curvature-driven surface evolution model, we show how a copper surface can undergo a type of dynamical instability that naturally leads to the formation of sharp asperities in realistic experimental conditions. Exploring the combined effect of fields and temperature rise, we identify the critical regimes that allow for the formation of breakdown precursors. The results show that thermoelastic stresses, while not essential, can significantly lower the critical electric field required for runaway surface instability, which is consistent with experimental observations that thermal effects can increase breakdown rates. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Micropinch formation dynamics in X pinches

High temporal resolution x-ray streak camera studies of micropinch formation in Cu hybrid x pinches reveal key plasma conditions. Analysis of Ne-like Cu lines indicate an average electron temperature of about 200 eV and 4.5×10 28 m -3 electron density. Here, the spectra suggest that the electron temperature jumps to about 1 keV, inferred from the continuum and the postcontinuum line emission that includes Li-like Cu lines. There is no sign of a rapid temperature change or a substantial surge in radiation emission during the 200 ps precontinuum x-ray burst, suggesting that the radiative collapse process does not play a major role in micropinch formation. Two-dimensional extended Magnetohydrodynamic (MHD) simulations, coupled to a collisional-radiative spectral analysis code, suggest the significance of the rapid radial implosion of high-temperature, low-density plasma, the axial outflow, and the dynamic plasma pressure in micropinch formation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Thermal and mechanical influences on shear band formation and suppression in shocked 1,3,5-trinitroperhydro-1,3,5-triazine (RDX)

High-pressure shear band formation is a critical phenomenon in energetic materials because of its ability to form hotspots and influence mechanical strength. Shear banding is known to occur in a variety of these materials, but the governing dynamics of the mechanisms are not well defined for molecular crystals. Our previous work has found that at high pressures in 1,3,5-trinitroperhydro-1,3,5-triazine (RDX), the initial formation sites for shear bands, called “embryos”, form in excess and rapidly lower deviatoric stresses prior to shear band formation and growth, suppressing the shear banding nucleation and growth. Here, in this work, we assess the influence of a variety of changes to the material state on this phenomenon, including altered initial temperature, lateral strain that confines the system in tension or pressure, and initial molecular vacancies throughout the crystal. Shear band suppression and the nature of the shear band network are assessed as a function of each of these.

36 MATERIALS SCIENCE↗
DOE OSTI2024

CYP76BK1 orthologs catalyze furan and lactone ring formation in clerodane diterpenoids across the mint family

The Lamiaceae (mint family) is the largest known source of furanoclerodanes, a subset of clerodane diterpenoids with broad bioactivities including insect antifeedant properties. The Ajugoideae subfamily, in particular, accumulates significant numbers of structurally related furanoclerodanes. The biosynthetic capacity for formation of these diterpenoids is retained across most Lamiaceae subfamilies, including the early-diverging Callicarpoideae which forms a sister clade to the rest of Lamiaceae. VacCYP76BK1, a cytochrome P450 monooxygenase from Vitex agnus-castus, was previously found to catalyze the formation of the proposed precursor to furan and lactone-containing labdane diterpenoids. Through transcriptome-guided pathway exploration, we identified orthologs of VacCYP76BK1 in Ajuga reptans and Callicarpa americana. Functional characterization demonstrated that both could catalyze the oxidative cyclization of clerodane backbones to yield a furan ring. Subsequent investigation revealed a total of 10 CYP76BK1 orthologs across six Lamiaceae subfamilies. Through analysis of available chromosome-scale genomes, we identified four CYP76BK1 members as syntelogs within a conserved syntenic block across divergent subfamilies. This suggests an evolutionary lineage that predates the speciation of the Lamiaceae. Functional characterization of the CYP76BK1 orthologs affirmed conservation of function, as all catalyzed furan ring formation. Additionally, some orthologs yielded two novel lactone ring moieties. The presence of the CYP76BK1 orthologs across Lamiaceae subfamilies closely overlaps with the distribution of reported furanoclerodanes. Together, the activities and distribution of the CYP76BK1 orthologs identified here support their central role in furanoclerodane biosynthesis within the Lamiaceae family. Our findings lay the groundwork for biotechnological applications to harness the economic potential of this promising class of compounds.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Impact of the nuclear equation of state on the formation of twin stars

Twin stars-two stable neutron stars (NSs) with the same mass but different radii have long been proposed to appear as a consequence of a possible first-order phase transition in NS matter. Within a meta-model for the EOS of hybrid stars, we revisit the viability of twin stars and its dependence on numerous parameters characterizing the EOS of nuclear matter, quark matter, and the phase transition between them. While essentially no experimental constraint exists for the last two, parameters characterizing the EOS of neutron-rich nucleonic matter have been constrained within various ranges by terrestrial experiments and astrophysical observations. Within these ranges, the impact of nuclear EOS and crust-core transition density on the formation of twin stars is studied. Here, it is found that the symmetry energy of neutron-rich nucleonic matter notably influences the formation of twin stars, particularly through its slope L and curvature K sym . Conversely, varying the EOS of symmetric nuclear matter within their currently known uncertainty ranges shows minimal influence on the formation of twin stars.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Ab Initio Insights to Metal Passivation: Diffusion and Defect Formation in Amorphous Zirconia and Alumina

Metal passivation refers to the formation of protective oxide films on metals, which shield them from further corrosion and oxidation, playing a crucial role in maintaining their stability. The mesoscopic Point Defect Model has successfully predicted passivity as a steady state process where oxide growth from oxygen vacancies at the metal/film interface competes with oxide dissolution at the film/environment interface. In this work, informed by the Point Defect Model parameters, we use first-principles calculations to calculate defect formation and atomic diffusion in amorphous materials and correlate these descriptors with the behavior and growth of the oxide film. Focusing on amorphous zirconia and alumina, we demonstrate that defect formation energies exhibit significant variability in amorphous systems. In alumina, vacancies dominate, with cation and anion vacancies occurring at comparable concentrations. Diffusion calculations for stoichiometric amorphous alumina and zirconia, as well as oxygen-deficient zirconia, reveal faster diffusion in the oxygen-deficient case, highlighting the impact of defects on transport. Comparison of calculated self-diffusion coefficients for the dominant defect species with experimentally measured oxide thicknesses shows a clear correlation, suggesting that first-principles-derived diffusivity information can serve as a key descriptor for surface passivation film growth.

Farnell, Mackinzie S. [University of California, B↗
DOE OSTI2026

Beam halo formation with different cathode distributions

Beam halo refers to the low-density distribution of particles extending beyond the beam core, and its generation and mitigation are important topics in particle accelerator design. Effective mitigation of beam halo is essential for the cooler design based on Energy Recovery Linac (ERL), which must deliver an electron beam with average beam current of 100 mA and a charge 1 nC per bunch. In the ERL injector and booster linacs, space charge effects are stronger due to relatively low beam energy (6 MeV). Additionally, the longer bunch length of approximately 100 ps in this regime vs the RF period of 5.08 ns makes the formation of beam halos more likely. Therefore, effective collimation of beam halo is critical to maintaining the required beam parameters. To design an effective collimation scheme, several halo distributions were generated at the cathode and used to study halo formation within the injector-merger. This paper presents different halo distributions and halo formation, providing insights on halo collimation strategy.

Accelerator Physics↗
DOE OSTI2025

NuHepMC: A standardized event record format for neutrino event generators

Simulations of neutrino interactions are playing an increasingly important role in the pursuit of high-priority measurements for the field of particle physics. A significant technical barrier for efficient development of these simulations is the lack of a standard data format for representing individual neutrino scattering events. We propose and define such a universal format, named NuHepMC, as a common standard for the output of neutrino event generators. The NuHepMC format uses data structures and concepts from the HepMC3 event record library adopted by other subfields of high-energy physics. These are supplemented with an original set of conventions for generically representing neutrino interaction physics within the HepMC3 infrastructure.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Nucleation and Contrail Formation

Condensation trails, or contrails, are aircraft-induced cirrus clouds. They come from the formation of water droplets, later converting to ice crystals as a result of water vapor condensing on aerosols either emitted by the aircraft engines or already present in the upper atmosphere. While there is ongoing debate about their true impact, contrails are estimated to be a major contributor to climate forcing from aviation. We remind that air transportation currently accounts for about 5 % of the global anthropogenic climate forcing, and that it is anticipated that air traffic will double in the coming decade or two. The expected growth reinforces the urgency of the need to develop a plan to better understand contrail formation and persistence, and deploy means to reduce or avoid contrail formation, or greatly mitigate their impact. It is evident that contrails should be part of the picture when developing a plan to make the aviation sector sustainable.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

First-Principles Thermodynamic Assessments of Sr-Containing Secondary Phase Formation in La1-xSrxMnO3±δ Perovskites for Solid Oxide Cell Applications

Sr-secondary phase formation is a potentially significant degradation mode threatening solid-oxide cell (SOC) commercial viability. A first-principles thermodynamic study was performed for rhombohedral perovskite (La1-xSrx) MnO3±δ (LSM) to assess its stability against Sr secondary phase formation in SOC applications. In this work, the Sr secondary phase formation reaction free energies were determined by combining ab initio lattice dynamics calculations for the solid phases and an ab initio thermodynamics approach for the gas phases. Furthermore, this approach goes beyond previous thermodynamic modeling studies by integrating first-principles based point-defect equilibria into the analyses. The modeling results indicate an increased tendency to form SrO oxide from LSM upon decreasing the oxygen partial pressure. Additionally, enhancing factors to form the Sr-related secondary phase from the associated SrO activity in LSM are further quantified by considering the equilibrium of SrO reacting with contaminant gas species as a function of temperature and gas pressure.

Defect and phase stability↗
DOE OSTI2026

Machine Learning Vacancy Formation Energy in Nickel-Based Superalloys

Thermal vacancies play a critical role in high-temperature Ni-based superalloys and influence various properties such as creep resistance, oxidation, etc. This study systematically investigates the impact of commonly used transition metals (Cr, Co, Fe), refractory metals (Nb, Ta, Mo, W) and other elements (Al, Cu, Ti, Mn) on the thermodynamic stability of 36 binary, 20 ternary, 11 quaternary, 9 quinary, and 3 senary FCC Ni-based alloys covering various elemental combinations. Density functional theory-based studies on Ni-X binary alloys show that higher concentrations of Cr, Nb, Ta, Al, and Ti introduce significant lattice distortions and broaden the distribution of vacancy formation energies (standard deviation up to 0.15 eV). These elements partially donate electrons, reducing their self-consistent chemical potentials relative to single-element reference values and lowering vacancy formation energies, while Co, Fe, Mo, and W show lower charge localization. These trends extend from 3-6 element alloys, where Cr, Nb, and Ta-rich compositions have low-energy states (~0.5 eV) that increase vacancy concentrations. Finally, graph neural network models are developed to screen over 5000 virtual alloys. Eleven leading compositions are identified with mean vacancy formation energy higher than 1.75 eV and vacancy concentration ~2 orders of magnitude lower than pure Ni at 1000 K. These results provide valuable guidelines to achieve controlled defect engineering in structural alloys.

DFT↗