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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Correlative analysis of CsPbBr2Hal (Hal = Cl, Br, I) meltcrystallization paramete

Abstract — Metal halide perovskites (MHPs) are an exciting research topic as they have the potential to make solar cells that are both more efficient than current siliconbased designs and have a wider range of applications. In this work the crystallization of CsPbBr2Hal (Hal = Cl, Br, I) halide perovskite melts were studied by the differential thermal analysis method. It was established that the crystallization of CsPbBr2Hal (Hal = Cl, Br, I) melts can be “hot” (i.e., at temperatures above the point of the alloy’s start-melting temperature) or with supercooling. The replacement of the bromine atom with another halogen atom leads to a shift of the dwell temperature range, at which “hot” crystallization takes place, from 830-846 K for CsPbBr3 to 807-832 K for CsPbBr2Cl and 741-768 K for CsPbBr2I. The activation energy of “hot” crystallization decreases in the same order. A linear dependence between the pre-exponential factor (ln(𝑽𝑽𝒄𝒄𝒄𝒄𝒄𝒄𝒔𝒔𝒕𝒕 𝟎𝟎 )) and the activation energy (Ea) of the crystallization process is revealed from the experimental data, proving the compensation effect.

Kopach, O.↗
NASA NTRS1989

Effects of crystal-melt interfacial energy anisotropy on dendritic morphology and growth kinetics

Morphological and kinetic studies of succinonitrile, a BCC crystal with a low (0.5 percent) anisotropy and pivalic acid, and FCC crystal with relatively large (5 percent) anisotropy in solid-liquid interfacial energy, show clearly that anisotropy in the solid-liquid interfacial energy does not affect the tip radius-velocity relationship, but has a profound influence on the tip region and the rate of amplification of branching waves. Anisotropy of the solid-liquid interfacial energy may be one of the key factors by which the microstructural characteristics of cast structures reflect individual material behavior, especially crystal symmetry.

Glicksman, M. E.↗
NASA NTRS1982

Natural convection in melt crystal growth - The influence of flow pattern on solute segregation

The results of two lines of research aimed at calculating the structure of the flows driven by buoyancy in small-scale crystal growth systems and at understanding the coupling between these flows, the shape of the solidification interface, and dopant segregation in the crystal are reviewed. First, finite-element methods are combined with computer-aided methods for detecting multiple steady solutions to analyze the structure of the buoyancy-driven axisymmetric flows in a vertical cylinder heated from below. This system exhibits onset of convection, multiple steady flows, and loss of the primary stable flow beyond a critical value of the Rayleigh number. Second, results are presented for calculations of convection, melt/solid interface shape, and dopant segregation within a vertical ampoule with thermal boundary conditions that represent a prototype of the vertical Bridgman growth system.

Brown, R. A.↗
NASA NTRS1986

The effect of fluid flow due to the crystal-melt density change on the growth of a parabolic isothermal dendrite

The Ivantsov (1947) analysis of an isolated isothermal dendrite (with zero surface tension) growing into a supercooled liquid is extended to include the effects of the fluid flow due to volume contraction or expansion upon solidification. For an axisymmetric paraboloidal dendrite, an analytic solution to the Navier-Stokes equations is obtained. The magnitude of the flow is proportional to the relative density change epsilon, and the flow becomes negligible far from the surface of the dendrite. The temperature field consistent with this flow can also be found explicitly. The well-known expression that relates the dimensionless supercooling to the Peclet number in the absence of fluid flow is modified for nonzero epsilon, but the effect is of order epsilon and hence is seen to be minor for most values of epsilon and dimensionless supercooling that occur in practice.

Mcfadden, G. B.↗
NASA NTRS1988

The effect of an electric field on the morphological stability of the crystal-melt interface of a binary alloy

A fully time-dependent linear stability analysis of the morphological stability of a planar interface during directional solidification of a binary alloy at constant velocity in the presence of an electric field, is performed. The electromigration of solute and the differing electrical conductivities of solid and liquid for a model in which the temperature gradient is constant are taken into account. The present results are compared with the constitutional supercooling criterion, and it is shown there may be substantial differences. A modified constitutional supercooling criterion which is valid over a large range of conditions is derived. It is also found under certain conditions that the onset of instability may be time dependent.

Wheeler, A. A.↗
NASA NTRS1986

Fluid mechanics and mass transfer in melt crystal growth: Analysis of the floating zone and vertical Bridgman processes

This research program focuses on analysis of the transport mechanisms in solidification processes, especially one of interest to the Microgravity Sciences and Applications Program of NASA. Research during the last year has focused on analysis of the dynamics of the floating zone process for growth of small-scale crystals, on studies of the effect of applied magnetic fields on convection and solute segregation in directional solidification, and on the dynamics of microscopic cell formation in two-dimensional solidification of binary alloys. Significant findings are given.

Brown, R. A.↗
NASA NTRS1988

The surface morphology of crystals melting under solutions of different densities

Examples of solids melting beneath liquids are described for cases where the bulk liquid volume is stabilized against convection by a positive vertical temperature gradient, either with, or without local density inversion at the melting interface. The examples include ice melting beneath brine or methanol solutions and tin or lead melting under molten Sn-20 wt pct Pb or Pb-20 wt pct Sn, respectively. Without density inversion the melting is slow, purely diffusion controlled and the interfaces are smooth; with convection assisted melting the rate increases by some two orders of magnitude and the interfaces develop a rough profile - in the case of ice both irregular and quasi-steady state features are observed. The observations are discussed in terms of prevailing temperature and concentration gradients.

Fang, Dacheng↗
NASA NTRS1993

A spectral method determination of the first critical Rayleigh number for a low-Prandtl number crystal melt in a cylindrical container

The onset of laminar axisymmetric Rayleigh-Benard convection is investigated for a low-Prandtl number liquid metal in a cylindrical container. All surfaces are considered to be solid and no-slip. Two separate cases are examined for the thermal boundary conditions at the side wall, one with conducting and the other with insulated surface. The governing Boussinesq system is first perturbed and then simplified by introducing a Stokes stream function. Subsequently, a Chebyshev Galerkin spectral model is employed to reduce the simplified system to a system of first-order nonlinear ordinary differential equations. A local stability analysis determines the two values of the first critical Rayleigh number, Ra(sub cl), for the insulated and conducting side walls. As expected, the conducting Ra(sub cl) value of 2882.5 obtained from the present approach exceeded the corresponding insulated Ra(sub cl) value of 2331.6. For the insulated case, an earlier study using a different numerical approach suggests that Ra(sub cl) = 2261.9, while an experimental study measured Ra(sub cl) = 2700.

Dietz, C. M., Jr.↗
DOE OSTI2023

Melting and crystallization peculiarities in Cd0.50Mn0.50Te solid solutions

We investigated melting and crystallization processes of Cd0.50Mn0.50Te. Using differential thermal analysis (DTA) we studied the solid-liquid equilibrium temperature range, the temperature dependence of the volume fraction of the solid phase in the melt, and crystallization peculiarities. We observed that changing a dwell temperature from 1346 to 1354 K results in an increase of the crystallization temperature of the Cd0.50Mn0.50Te melt. Since the melt is in a semi-liquid state, its crystallization occurs over a solid-phase domain. It was found that a slightly overheated Cd0.50Mn0.50Te melt (up to 10 K) crystallizes more slowly than more overheated melts, and that the Cd0.50Mn0.50Te solid solutions are in a semi-liquid state in the temperature range of 1338 – 1354 K.

Kopach, Oleh↗
NASA NTRS1976

Thermocapillary convection in microgravity crystal growth melts of indium-antimonide

Results of two recent crystal growth experiments conducted aboard Skylab are analyzed for thermoconvective aspects. Theoretical temperature and velocity profiles in the crystal melts are predicted via computer modeling. These results are compared with experimental data obtained from Skylab investigators. From theoretical considerations, both indium-antimonide experiments should have exhibited substantial thermocapillary convection, but did not due to probable oxide film interference and/or opposing solutal effects.

Bourgeois, S. V., Jr.↗
NASA NTRS1988

The glass transition, crystallization and melting in Au-Pb-Sb alloys

The glass transition, crystallization and melting of Au(55)Pb(22.5)Sb(22.5) alloys have been studied by differential scanning calorimetry DSC. Crystallization on heating above the glass transition temperature Tg (45 C) begins at 64 C. Further crystallization events are observed at 172 C and 205 C. These events were found to correspond to the formation of the intermetallic compounds AuSb2, Au2Pb, and possibly AuPb2, respectively. Isothermal DSC scans of the glassy alloy above Tg were used to monitor the kinetics of crystallization. The solidification behavior and heat capacity in the glass-forming composition range were determined with droplet samples. An undercooling level of 0.3T(L) below the liquidus temperature T(L) was achieved, resulting in crystallization of different stable and metastable phases. The heat capacity C(P) of the undercooled liquid was measured over an undercooling range of 145 C.

Lee, M. C.↗
NASA NTRS1984

Thermosolutal convection during directional solidification

During solidification of a binary alloy at constant velocity vertically upward, thermosolutal convection can occur if the solute rejected at the crystal-melt interface decreases the density of the melt. We assume that the crystal-melt interface remains planar and that the flow field is periodic in the horizontal direction. The time-dependent nonlinear differential equations for fluid flow, concentration, and temperature are solved numerically in two spatial dimensions for small Prandtl numbers and moderately large Schmidt numbers. For slow solidification velocities, the thermal field has an important stabilizing influence: near the onset of instability the flow is confined to the vicinity of the crystal-melt interface. Further, for slow velocities, as the concentration increases, the horizontal wavelength of the flow decreases rapidly - a phenomenon also indicated by linear stability analysis. The lateral inhomogeneity in solute concentration due to convection is obtained from the calculations. For a narrow range of solutal Rayleigh numbers and wavelengths, the flow is periodic in time.

Mcfadden, G. B.↗
NASA NTRS2021

Melting and Crystallization Behavior of CaO-MgO-Al2O3-SiO2 Silicates Relevant to Turbine Engine Applications

The melting and crystallization behavior of four quaternary CaO-MgO-Al2O3-SiO2(CMAS) silicates were investigated. The CaO:SiO2 ratios of these systems were based on various terrestrial sources of ingested particles relevant to gas turbine engine operating environments. Melting behavior was characterized using differential scanning calorimetry, and high temperature intrinsic crystallization products were determined by furnace heat treatments of the glasses at 1200°C, 1300°C, and 1400°C. The silicates exhibited a wide range of melting temperatures from ~1240°C up to ~1500°C, with most of the compositions exhibiting incongruent melting behavior. High temperature crystallization products included CaSiO3,CaAl2Si2O8, Ca2MgSi2O7, and Ca(Mg,Al)Si2O6, although SiO2 was the only crystalline phase observed at 1400°C.

Jamesa L. Stokes↗
DOE OSTI2025

Progress towards a fully 3D, thermodynamically-consistent, constitutive model for volume changes during crystallization and melting of semicrystalline polymers

A thermodynamically-consistent constitutive model for semicrystalline polymers has been developed that is capable of representing volume strains from crystallization and melting. The new model is targeted at representing the thermal strain behavior of polymeric photo-voltaic module polymer encapsulation which may undergo crystallization and melting in their service environments. In the model, a homogenized material point is represented by a Gibbs free energy incorporating contributions from the crystalline phase, the amorphous phase, and mixing terms.

36 MATERIALS SCIENCE↗
NASA NTRS1984

Morphological stability in the presence of fluid flow in the melt

Recent experiments have shown that the presence of a vertical buoyancy-driven flow adjacent to an initially cylindrical crystal-melt interface may produce a time-dependent helical deformation of the interface, with a rotation period ranging from several minutes to many hours, depending upon the width of the melt. The temperature distribution is such that the interface is expected to be morphologically stable in the absence of fluid flow. A linear stability analysis reveals that the instability is due to a coupling between a basic hydrodynamic instability in the buoyant flow and the deformable boundary separating the two phases. The crystal-melt interface lowers the critical Grashof number of an analogous rigid-walled system by an order of magnitude for succinonitrile with a Prandtl number P = 22.8; furthermore, the hydrodynamic mode that is actually destabilized by the interface is not the least stable mode in the rigid-walled system for P = 22.8. The results show that the instability may be regarded either as a rather large alteration of a basic hydrodynamic instability by the crystal-melt interface, or as a significant modification of the morphological stability of the interface by the presence of the buoyant flow.

Mcfadden, G. B.↗