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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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At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Understanding Mechanisms of Selective Crystal Nucleation and Growth Using In Situ Electron Microscopy

Separation processes are essential for purifying and isolating critical materials, but are challenging due to the natural tendency of systems to mix. This project explores far-from-equilibrium separation methods using external electric and magnetic fields to drive selective nucleation and crystal growth. Using in situ electrochemical transmission electron microscopy (TEM), we observed ion transport and crystallization behavior under applied electric fields. We found that ions migrate toward the working electrode, where nucleation preferentially occurs. These findings advance our understanding of non-equilibrium separation mechanisms and support the development of efficient, sustainable methods for extracting critical materials from unconventional domestic sources.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Technical note: A modified formulation of dynamic energy budget theory for faster computation of biological growth

Abstract. The mass conservation equation in the presence of boundary fluxes and chemical reactions from non-equilibrium thermodynamics is used to derive a modified dynamic energy budget (mDEB) model. Compared to the standard dynamic energy budget (sDEB) model (Kooijman, 2009), this modified formulation does not place the dilution effect in the mobilization kinetics of reserve biomass, and it maintains the partition principle for reserve mobilization dynamics for both linear and non-linear kinetics. Overall, the mDEB model shares most features with the sDEB model. However, for biological growth that requires multiple nutrients, the mDEB model is computationally much more efficient by not requiring numerical iterations for obtaining the specific growth rate. In an example of modeling the growth of Thalassiosira weissflogii in a nitrogen-limiting chemostat, the mDEB model was found to have almost the same accuracy as the sDEB model while requiring almost half of the computing time of the sDEB model. Since the sDEB model has been successfully applied in numerous studies, we believe that the mDEB model can help improve the modeling of biological growth and the associated ecosystem processes in various contexts.

Tang, Jinyun↗
NASA NTRS1990

Flux-split algorithms for flows with non-equilibrium chemistry and vibrational relaxation

The present consideration of numerical computation methods for gas flows with nonequilibrium chemistry thermodynamics gives attention to an equilibrium model, a general nonequilibrium model, and a simplified model based on vibrational relaxation. Flux-splitting procedures are developed for the fully-coupled inviscid equations encompassing fluid dynamics and both chemical and internal energy-relaxation processes. A fully coupled and implicit large-block structure is presented which embodies novel forms of flux-vector split and flux-difference split algorithms valid for nonequilibrium flow; illustrative high-temperature shock tube and nozzle flow examples are given.

Grossman, B.↗
NASA NTRS1992

Evolution of attached and detached slabs and their associated mantle dynamics

Over the two years of the NASA grant, this project has produced a significant amount of research results related to the plate subduction process and the surface crustal deformation at convergent boundaries (i.e., above subduction zones). While some research objectives are completely accomplished, other research tasks remain active and continue to be investigated at present. A steady state analytic thermal model for subducting slabs was used to examine the torques acting on a descending slab. It is found that gravitational torque vanishes when a slab is dipping either vertically or horizontally, unlike previous studies indicating that the magnitude of gravitational torque decreases as dip angle increases. Subsequently, a new time-dependent, analytic thermal model for a subducting slab was developed. The new model enables us to study transient phenomena associated with plate subduction analytically. On the basis of this model, the nature of slab dip angles was evaluated. Slab dip angles are found to be transient features. As they penetrate into the mantle and increase their lengths, the associated gravitational torque also increases resulting in a downward pulling of the slab to the steeper dip angle. This is especially true once a slab penetrates the olivine-spinel phase boundary at about 400 km depth. However, if the phase transformation does not follow the equilibrium condition, the gravitational torque may have a different behavior. This problem was investigated. Except for fast descending slabs, non-equilibrium phase transformation can only slow down the transient increase of slab dip angles discussed earlier. Its effect is not sufficiently strong to reverse the downward pulling for most of the slabs. However, when slabs subducting at 10 cm/yr or faster, a sufficient amount of metastable olivine can exist beneath 400 km. Because of its low density compared with the surrounding spinel, an upward buoyancy is produced resulting in an upward bending of the slab and possibly an upward rotation of the slab such that smaller dip angles are formed. Seismic studies of the Japanese Slab seem to support this interpretation. The development of oroclinal geometries at convergent boundaries was also examined to study plate obduction which is an important ingredient to the initiation of plate subduction. Although the study suggests that surface features are better modeled by block models, the large scale deformation can be adequately studied by viscous models. Such a model is now under development to complete our original objective to study the initiation of plate subduction. Finally, a three-dimensional, finite element, spherical convective model is developed to study dynamic plate subductions. The model development is now complete and it is being tested to ensure its proper operation. The model is able to generate convection results with a viscosity contrast of about 100. Our research continues to push the viscosity contrast to a level that is appropriate for a subducting slab.

Hsui, Albert T.↗
NASA NTRS1992

Pulsatile instability in rapid directional solidification: Strongly-nonlinear analysis

In models of rapid directional solidification, non-equilibrium interfacial conditions are employed. As a result, there is an oscillatory mode of instability, as well as the steady cellular mode, found in the equilibrium model of Mullins and Sekerka. When the temperature field is decoupled from the problem, the preferred wave number for the oscillatory mode is zero, and the interface pulsates in time while remaining spatially uniform. Results from multiple scale analyses in the two limiting cases of the parameters are reported. In these limits, it is found that the instability is a bifurcation to relaxation oscillations; these nonlinear oscillations may be related to the observed microstructure that results from rapid solidification processes such as laser surface remelting.

Braun, Richard J.↗
NASA NTRS1993

Study and modeling of finite rate chemistry effects in turbulent non-premixed flames

The development of numerical models that reflect some of the most important features of turbulent reacting flows requires information about the behavior of key quantities in well defined combustion regimes. In turbulent flames, the coupling between turbulent and chemical processes is so strong that it is extremely difficult to isolate the role played by one individual physical phenomenon. Direct numerical simulation (hereafter DNS) allows us to study in detail the turbulence-chemistry interaction in some restricted but completely defined situations. Globally, non-premixed flames are controlled by two limiting regimes: the fast chemistry case, where the turbulent flame can be pictured as a random distribution of local chemical equilibrium problems; and the slow chemistry case, where the chemistry integrates in time the turbulent fluctuations. The Damkoehler number, ratio of a mechanical time scale to chemical time scale, is used to distinguish between these regimes. Today most of the industrial computer codes are able to perform predictions in the hypothesis of local equilibrium chemistry using a presumed shape for the probability density function (pdt) of the conserved scalar. However, the finite rate chemistry situation is of great interest because industrial burners usually generate regimes in which, at some points, the flame is undergoing local extinction or at least non-equilibrium situations. Moreover, this variety of situations strongly influences the production of pollutants. To quantify finite rate chemistry effect, the interaction between a non-premixed flame and a free decaying turbulence is studied using DNS. The attention is focused on the dynamic of extinction, and an attempt is made to quantify the effect of the reaction on the small scale mixing process. The unequal diffusivity effect is also addressed. Finally, a simple turbulent combustion model based on the DNS observations and tractable in real flow configurations is proposed.

Vervisch, Luc↗
NASA NTRS1995

GRO: Black hole models for gamma-ray bursts

The Burst and Transient Source Experiment (BATSE) on board the Compton Gamma Ray Observatory (CGRO) has established that the distribution of gamma-ray bursts (GRB's) is isotropic but is bound radially. This finding suggests that the bursts are either cosmological or they originate from an extended Galactic halo. The implied luminosities and the observed variability of the GRB's on time scales as short as one millisecond suggest that they originate from compact objects. We are presently studying black hole models for GRB's. Any such model must produce a non-thermal photon spectrum to agree with the observed properties. For a wide range of burst parameters the assumed bursting source consists of a non-thermal electron-positron-photon plasma of very high density. It seems possible to produce such a plasma in accretion onto black holes. In our on-going work, we are developing the kinetic theory for a non-equilibrium pair plasma. The main new features of our work are as follows: (1) We do not assume the presence of a thermal electron bath. (2) Non-thermal, high-energy pairs are allowed to have an arbitrary concentration and energy distribution. (3) There is no soft photon source in our model; initially all the photons in the plasma are either energetic X-rays or gamma-rays. (4) The initial energy distribution of the pairs as well as photons is arbitrary. (5) We collect the analytical expressions for the kinetic kernels for all relevant processes. And (6) we present a different approach to finding the time-evolution of pair and photon spectra, which is a combination of the kinetic-theory and the non-linear Monte-Carlo schemes. We have developed many Monte-Carlo programs to model various process, to take into account the time evolution, and to incorporate various physical effects which are unique to non-thermal plasmas. The hydrodynamics of fireballs in GRB's was studied before. Applying results from kinetic theory will improve our understanding of these systems.

Ruderman, Malvin↗
NASA NTRS1996

Dynamical Evolution of a Coronal Streamer-Flux Rope System: 2. A Self-Consistent Non-Planar Magnetohydrodynamic Simulation

The dynamical response of a helmet streamer to a flux rope escape from the sub-photosphere is examined in a physically self-consistent manner within the approximation of axisymmetric three-dimensional magnetohydrodynamics (i.e., so-called '2 1/2 D'). In contrast to the previous planar analyses of Paper 1 (Wu, Guo, and Wang), the present study shows, with the inclusion of out-of-plane components of magnetic and velocity fields, that the magnetic configuration represents a helical flux rope instead of a planar bubble as shown in Paper 1. Because of this more physically-realistic configuration, we are able to examine the dynamical evolution of the helical flux rope's interaction with the helmet streamer. This process leads to the formation of two parts of the solar mass ejection: (i) the expulsion of the helmet dome due to eruption of this flux rope, and (ii) the flux rope's eruption itself. When this two-part feature propagates out to the interplanetary space, it exhibits all the physical characteristics of observed interplanetary magnetic clouds. These numerical simulations also show that the dynamical behavior of the streamer-flux rope system has three distinct states: (i) quasi-equilibrium, (ii) non-equilibrium, and (iii) eruptive state depending on the energy level of the flux rope.

Wu, S. T.↗
NASA NTRS1998

Non-Equilibrium Turbulence Modeling for High Lift Aerodynamics

This phase is discussed in ('Non linear kappa - epsilon - upsilon(sup 2) modeling with application to high lift', Application of the kappa - epsilon -upsilon(sup 2) model to multi-component airfoils'). Further results are presented in 'Non-linear upsilon(sup 2) - f modeling with application to high-lift' The ADI solution method in the initial implementation was very slow to converge on multi-zone chimera meshes. I modified the INS implementation to use GMRES. This provided improved convergence and less need for user intervention in the solution process. There were some difficulties with implementation into the NASA compressible codes, due to their use of approximate factorization. The Helmholtz equation for f is not an evolution equation, so it is not of the form assumed by the approximate factorization method. Although The Kalitzin implementation involved a new solution algorithm ('An implementation of the upsilon(sup 2) - f model with application to transonic flows'). The algorithm involves introducing a relaxation term in the f-equation so that it can be factored. The factorization can be into a plane and a line, with GMRES used in the plane. The NASA code already evaluated coefficients in planes, so no additional memory is required except that associated the the GMRES algorithm. So the scope of this project has expanded via these interactions. . The high-lift work has dovetailed into turbine applications.

Durbin, P. A.↗
NASA NTRS2001

Quantitative Species Measurements in Microgravity Combustion Flames

Flame-vortex interactions are canonical configurations that can be used to study the underlying processes occurring in complicated turbulent reacting flows. The elegant simplicity of the flame-vortex interaction permits the study of these complex interactions under relatively controllable experimental configurations, in contrast to direct measurements in turbulent flames. The ability to measure and model the fundamental phenomena that occur in a turbulent flame, but with time and spatial scales which are amenable to our diagnostics, permits significant improvements in the understanding of turbulent combustion under both normal and reduced gravity conditions. In this paper, we report absolute mole fraction measurements of methane in a reacting vortex ring. These microgravity experiments are performed in the 2.2-sec drop tower at NASA Glenn Research Center. In collaboration with Drs. Chen and Dahm at the University of Michigan, measured methane absorbances are incorporated into a new model from which the temperature and concentrations of all major gases in the flame can be determined at all positions and times in the development of the vortex ring. This is the first demonstration of the ITAC (Iterative Temperature with Assumed Chemistry) approach, and the results of these computations and analyses are presented in a companion paper by Dahm and Chen at this Workshop. We believe that the ITAC approach will become a powerful tool in understanding a wide variety of combustion flames under both equilibrium and non-equilibrium conditions.

Silver, Joel A.↗
NASA NTRS2007

Estimating Irrigation Water Requirements using MODIS Vegetation Indices and Inverse Biophysical Modeling

An inverse process approach using satellite-driven (MODIS) biophysical modeling was used to quantitatively assess water resource demand in semi-arid and arid agricultural lands by comparing the carbon and water flux modeled under both equilibrium (in balance with prevailing climate) and non-equilibrium (irrigated) conditions. Since satellite observations of irrigated areas show higher leaf area indices (LAI) than is supportable by local precipitation, we postulate that the degree to which irrigated lands vary from equilibrium conditions is related to the amount of irrigation water used. For an observation year we used MODIS vegetation indices, local climate data, and the SiB2 photosynthesis-conductance model to examine the relationship between climate and the water stress function for a given grid-cell and observed leaf area. To estimate the minimum amount of supplemental water required for an observed cell, we added enough precipitation to the prevailing climatology at each time step to minimize the water stress function and bring the soil to field capacity. The experiment was conducted on irrigated lands on the U.S. Mexico border and Central Asia and compared to estimates of irrigation water used.

Imhoff, Marc L.↗
NASA NTRS2010

Irrigation Requirement Estimation Using Vegetation Indices and Inverse Biophysical Modeling

We explore an inverse biophysical modeling process forced by satellite and climatological data to quantify irrigation requirements in semi-arid agricultural areas. We constrain the carbon and water cycles modeled under both equilibrium, balance between vegetation and climate, and non-equilibrium, water added through irrigation. We postulate that the degree to which irrigated dry lands vary from equilibrium climate conditions is related to the amount of irrigation. The amount of water required over and above precipitation is considered as an irrigation requirement. For July, results show that spray irrigation resulted in an additional amount of water of 1.3 mm per occurrence with a frequency of 24.6 hours. In contrast, the drip irrigation required only 0.6 mm every 45.6 hours or 46% of that simulated by the spray irrigation. The modeled estimates account for 87% of the total reported irrigation water use, when soil salinity is not important and 66% in saline lands.

Bounoua, Lahouari↗
NASA NTRS2012

Origins of GEMS Grains

Interplanetary dust particles (IDPs) collected in the Earth s stratosphere contain high abundances of submicrometer amorphous silicates known as GEMS grains. From their birth as condensates in the outflows of oxygen-rich evolved stars, processing in interstellar space, and incorporation into disks around new stars, amorphous silicates predominate in most astrophysical environments. Amorphous silicates were a major building block of our Solar System and are prominent in infrared spectra of comets. Anhydrous interplanetary dust particles (IDPs) thought to derive from comets contain abundant amorphous silicates known as GEMS (glass with embedded metal and sulfides) grains. GEMS grains have been proposed to be isotopically and chemically homogenized interstellar amorphous silicate dust. We evaluated this hypothesis through coordinated chemical and isotopic analyses of GEMS grains in a suite of IDPs to constrain their origins. GEMS grains show order of magnitude variations in Mg, Fe, Ca, and S abundances. GEMS grains do not match the average element abundances inferred for ISM dust containing on average, too little Mg, Fe, and Ca, and too much S. GEMS grains have complementary compositions to the crystalline components in IDPs suggesting that they formed from the same reservoir. We did not observe any unequivocal microstructural or chemical evidence that GEMS grains experienced prolonged exposure to radiation. We identified four GEMS grains having O isotopic compositions that point to origins in red giant branch or asymptotic giant branch stars and supernovae. Based on their O isotopic compositions, we estimate that 1-6% of GEMS grains are surviving circumstellar grains. The remaining 94-99% of GEMS grains have O isotopic compositions that are indistinguishable from terrestrial materials and carbonaceous chondrites. These isotopically solar GEMS grains either formed in the Solar System or were completely homogenized in the interstellar medium (ISM). However, the chemical compositions of GEMS grains are extremely heterogeneous and seem to rule out this possibility. Based on their solar isotopic compositions and their non-solar elemental compositions we propose that most GEMS grains formed in the nebula as late-stage non-equilibrium condensates.

Messenger, S.↗
NASA NTRS2013

Prominence Mass Supply and the Cavity

A prevalent but untested paradigm is often used to describe the prominence-cavity system; the cavity is under-dense because it it evacuated by supplying mass to the condensed prominence. The thermal non-equilibrium (TNE) model of prominence formation offers a theoretical framework to predict the thermodynamic evolutin of the prominence and the surrounding corona. We examine the evidence for a prominence-cavity connection by comparing the TNE model and diagnostics of dynamic extreme ultraviolet (EUV) emission surrounding the prominence, specifically prominence horns. Horns are correlated extensions of prminence plasma and coronal plasma which appear to connect the prominence and cavity. The TNE model predicts that large-scale brightenings will occur in the Solar Dynamics Observatory Atmospheric Imaging Assembly 171 A badpass near he prominence that are associated with the cooling phase of condensation formation. In our simulations, variations in the magnitude of footpoint heating lead to variations in the duration, spatial scale, and temporal offset between emission enhancements in the other EUV bandpasses. While these predictions match well a subset of the horn observations, the range of variations in the observed structures is not captured by the model. We discuss the implications of one-dimensional loop simulations for the three-dimensional time-averaged equilibrium in the prominence and the cavity. Evidence suggests that horns are likely caused by condensing prominence plasma, but the larger question of whether this process produces a density-depleted cavity requires a more tightly constrained model of heating and better knowledge of the associated magnetic structure.

PROMINENCES↗
NASA NTRS2017

Applications of Radiative Heating for Space Exploration

Vehicles entering planetary atmospheres at high speeds (6 - 12 kms) experience intense heating by flows with temperatures of the order 10 000K. The flow around the vehicle experiences significant dissociation and ionization and is characterized by thermal and chemical non-equilibrium near the shock front, relaxing toward equilibrium. Emission from the plasma is intense enough to impart a significant heat flux on the entering spacecraft, making it necessary to predict the magnitude of radiative heating. Shock tubes represent a unique method capable of characterizing these processes in a flight-similar environment. The Electric Arc Shock tube (EAST) facility is one of the only facilities in its class, able to produce hypersonic flows at speeds up to Mach 50. This talk will review the characterization of radiation measured in EAST with simulations by the codes DPLR and NEQAIR, and in particular, focus on the impact these analyses have on recent missions to explore the solar system.

simulations↗
NASA NTRS2019

Plasma Science in Planetary Entry

Spacecraft entering a planetary atmosphere dissipate a great deal of energy into the surrounding gas. In the frame of reference of the vehicle, the atmospheric gas suddenly decelerates from hypersonic (Mach ~5-50) to subsonic velocities. The kinetic energy of the gas is rapidly converted to thermal and chemical energy, forming a bow shock behind which a plasma with energies on the order of one electron volt (eV) is produced. The resulting shock layer relaxes from strong thermal non-equilibrium that is translationally hot but internally cold and un-ionized toward a thermochemically equilibrated plasma over a distance of a few centimeters. Composition is dependent upon the planetary atmosphere – Air for Earth, CO2/N2 for Mars and Venus, N2/CH4 for Titan and H2/He/CH4 for Saturn, Neptune and Jupiter. Typical velocities of entry may range from 3-7 km/s (4-25 MJ/kg) for Titan/Mars, 8-14 km/s (30-100 MJ/kg) for Earth/Venus, and 25-40 km/s (300-800 MJ/kg) for outer planets. The equilibrium plasmas produced from these conditions are highly dissociated (up to and above 99%) and ionized (0.1- 15%), with temperatures from 7,000-15,000K and pressures from 0.1-1.0 bar. Understanding the behavior of these plasmas – the way in which they approach equilibrium, how they radiate, and how they interact with materials – is an active area of research necessitated by requirements to predict and test the performance of thermal protection systems (TPS) that enable spacecraft to deliver scientific instruments, and people, to foreign worlds and back to Earth. The endeavor is a multi-physics problem, with key processes highlighted in Fig. 1. This white paper describes the current state of the art in simulating shock layer plasmas both computationally and in ground test facilities. Gaps requiring further research and development are identified.

Cruden, Brett A.↗
NASA NTRS2019

SI IV Resonance Line Emission during Solar Flares: Non-LTE, Non-equilibrium, Radiation Transfer Simulations

The Interface Region Imaging Spectrograph routinely observes the Si IV resonance lines. When analyzing quiescent observations of these lines, it has typically been assumed that they form under optically thin conditions. This is likely valid for the quiescent Sun, but this assumption has also been applied to the more extreme flaring scenario. We used 36 electron-beam-driven radiation hydrodynamic solar flare simulations, computed using the RADYN code, to probe the validity of this assumption. Using these simulated atmospheres, we solved the radiation transfer equations to obtain the non-LTE, nonequilibrium populations, line profiles, and opacities for a model silicon atom, including charge exchange processes. This was achieved using the "minority species" version of RADYN. The inclusion of charge exchange resulted in a substantial fraction of Si IV at cooler temperatures than those predicted by ionization equilibrium. All simulations with an injected energy flux F> 5 x 10(exp 10) erg cm(exp -2) s(exp -1) resulted in optical depth effects on the Si IV emission, with differences in both intensity and line shape compared to the optically thin calculation. Weaker flares (down to F ~ 10(exp 9) erg cm(exp -2) s(exp -1)) also resulted in Si IV emission forming under optically thick conditions, depending on the other beam parameters. When opacity was significant, the atmospheres generally had column masses in excess of 5 x 10-6 g cm-2 over the temperature range 40-100 kK, and the Si IV formation temperatures were between 30 and 60 kK. We urge caution when analyzing Si IV flare observations, or when computing synthetic emission without performing a full radiation transfer calculation.

Kerr, Graham S.↗
NASA NTRS2022

Atomic-Scale Structure and Non-Stoichiometry of Meteoritic Hibonite: A Transmission Electron Microscope Study

Hibonite (CaAl_12O_19) is a common refractory mineral in Ca-Al-rich inclusions (CAIs) in primitive meteorites. Transmission electron microscope (TEM) studies have identified enigmatic planar defects in different occurrences of hibonite in the Allende meteorite that give rise to strong streaking along c* in electron diffraction patterns. Atomic resolution high-angle annular dark-field (HAADF) imaging and energy-dispersive X-ray (EDX) analyses were used to determine the nature and origin of these planar features. HAADF images of hibonite grains reveal lamellar intergrowths of common 1.6 nm spacing, and less commonly 2.0 and 2.5 nm spacings, interspersed in stoichiometric hibonite showing 1.1 nm (002) spacing. Stoichiometric hibonite consists of alternating Ca-containing (“R”) and spinel-structured (“S”) blocks stacked in a sequence RS. In contrast, the 1.6 nm layers result from a doubled S block such that the stacking sequence is RSS, while in the widest defect observed, the stacking sequence is RSSSS. These intergrowths are epitaxial and have coherent, low-strain boundaries with the host hibonite Meteoritic hibonite shows common Ti and Mg substitution for Al in its structure. Atomic-resolution EDX maps of hibonite grains in the Allende CAI confirm the preferred site occupancy of Mg on tetragonal M3 sites in S blocks and of Ti on trigonal bipyramidal M2 and octahedral M4 sites in R blocks. Mg is highly concentrated, but Ti is absent in the planar defects where wider S blocks show Al-rich compositions compared to stoichiometric MgAl_2O_4 spinel. Therefore, Mg likely played the major role in the formation and metastability of planar defects in hibonite. Electron energy loss spectroscopy data from the Ti L_2,3 edge show the presence of mixed Ti oxidation states with ~ 15–20% of Ti as Ti^(3+) in hibonite, suggesting a direct substitution of Ti^(3+) ↔ Al^(3+) in hibonite. The remaining ~ 80–85% of Ti is present as Ti^(4+) and corresponding EDX analyses are consistent with the well-known coupled substitution 2Al^(3+) ↔ Ti^(4+) + Mg^(2+) being the major mechanism for Ti and Mg substitution in hibonite. The formation of planar defects in hibonite occurred during high-temperature nebular condensation or melting/crystallization processes. The occurrence of non-stoichiometric hibonite in the Allende CAI deviates from the mineral formation sequence predicted from equilibrium condensation models. Overall, our atomic resolution TEM observations signify non-equilibrium, kinetic-controlled crystal growth during the high-temperature formation of refractory solids in the early solar nebula.

hibonite↗