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NASA NTRS1976

Some observations on the characteristics of low-cost silicon sheets

To meet the need for low cost silicon sheet material in the ERDA/JPL photovoltaics program, JPL has initiated a wide ranging technology development effort in crystal growth that includes several different technology thrusts. They range in scope from innovative ingot growth and multislice wafering, to shaped growth techniques, substrate-related processes and hot forming techniques. In this paper, some salient observations on materials resulting from these processes are reported. Included are multiblade wafering-induced damage studies, interface morphology studies on the heat exchanger cast silicon, some diffusion length measurements in thin silicon layers on ceramic substrates, and results on the equilibrium structure found in laser zone ribbon growth.

Digges, T. G., Jr.↗

NASA NTRS1979

Rates and processes of crystal growth in the system anorthite-albite

The growth rates and interface morphologies of crystals of synthetic compositions in the anorthite (CaAl2Si2O8)-albite (NaAlSi3O8) plagioclase feldspar system are measured in an investigation of the crystallization of igneous rocks. Mixed plagioclase glasses with compositions of 75% and 50% anorthite were observed using the microscope heating technique as they crystallized at temperatures near the liquidus, and 75%, 50% and 20% anorthite crystals were treated by resistance heating and observed at greater degrees of undercooling. Growth rates were found to be independent of time and to decrease with increasing albite content, ranging from 0.5 to 2 x 10 to the -5th cm/min. The crystal morphologies for all compositions are faceted near the liquidus and become progressively skeletal, dendritic and fibrillar with increasing undercooling.

Kirkpatrick, R. J.↗

NASA NTRS1979

A new furnace for high gradient directional growth

A new design furnace for high gradient solidification of in-situ composites is presented. Its essential feature is the direct addition of heat to one side of a thin, pancake-like layer of liquid, and continuous withdrawal of a solid crystal from the other side. Liquid in the thin layer is continuously replenished by solid or liquid feed, and the thinness of the layer permits a large heat throughput with a high temperature gradient without excessive metal superheat. The commercial advantages of this design are improved process efficiency in scale-up, lower melt temperatures, and control of interface morphology by adjusting heater position and temperature. The furnace was tested on Sn-Pb and Al-Cu alloys, obtaining 100C/mm gradients for 6 mm specimens of Al-31.5 % Cu alloy.

Flemings, M. C.↗

NASA NTRS1984

Analysis of inclined growth of silicon sheet

A general-purpose finite element program was developed for analysis of silicon sheet growth in inclined configurations. This program will be used to study parametric sensitivity of various growth geometries with respect to thermal control and growth rate, dopant segregation, thermal stress and interface morphology and instability.

Brown, R. A.↗

NASA NTRS1985

Fluid Flow in Crystal Growth: Analysis of the Verticle Bridgman and Floating Zone Process

Research is aimed at the fundamental understanding of the interactions of heat and mass transport and fluid mechanics in crystal growth from the melt, especially in how it pertains to experiments supported by the Microgravity Science and Applications program. Emphasis has been on studies of the vertical Bridgman system, on small-scale floating zone systems proposed for space flight, and on quantitative prediction of nonlinear transitions in melt/solid interface morphologies leading to the formation of dendrites in directional solidification. The analysis of vertical Bridgman growth has lead to the complete numerical analysis of transport phenomena in directional solidification and to a detailed comparison of calculations to the GaGe growth experiments of Wang and Witt. Calculations show the central role of the ampoule material in determining the radial temperature gradients in the melt and thus, the intensity of convection. Results indicate that diffusion-controlled growth can not be achieved on Earth with conventional growth systems, but are feasible in microgravity

Brown, R. A.↗

NASA NTRS1989

The effect of metal surface passivation on the Au-InP interaction

The effect of SiO2 encapsulation on reaction rates in the Au-InP system was studied. Scanning electron microscopy and x-ray photoelectron spectroscopy were used to investigate surface and/or interface morphologies and in-depth compositional profiles. It was found that the rate of dissolution of InP into Au and subsequent phase transformations are largely dependent on the condition of the free surface of the metalization. SiO2 capping of Au is reported for the first time to suppress the Au-InP reaction rate. The Au-InP interaction is shown to be quite similar to the Au-GaAs interaction despite differences in behavior of the group-V elements.

Fatemi, Navid S.↗

NASA NTRS1990

Instability during directional solidification - Gravitational effects

After an elementary introduction to solidification, recent research that attempts to understand the interaction of fluid flow with a crystal-melt interface under gravitational influence using linear stability analysis is reviewed. Recent numerical calculations of fluid flow and interface morphology during alloy solidification are briefly discussed.

Coriell, S. R.↗

NASA NTRS1996

Convective Influence on Radial Segregation During Unidirectional Solidification of the Binary Alloy HgCdTe

In order to simulate the space environment for basic research into the crystal growth mechanism, Hg(0.8)Cd(0.2)Te crystals were grown by the vertical Bridgman-Stockbarger method in the presence of an applied axial magnetic field. The influence of convection, by magneto hydrodynamic damping, on mass transfer in the melt and segregation at the solid-liquid interface was investigated by measuring the axial and radial compositional variations in the grown samples. The reduction of convective mixing in the melt through the application of the magnetic field is found to have a large effect on radial segregation and interface morphology in the grown crystals. Direct comparisons are made with a Hg(0.8)Cd(0.2)Te crystal grown without field and also in the microgravity environment of space during the second United States Microgravity Payload Mission (USMP-2).

Watring, D. A.↗

NASA NTRS1998

Experiment 2: Vapor Transport Crystal Growth of Mercury Cadmium Telluride in Microgravity- USML-2

The new epitaxial growth experiments of Hg(l-x)Cd(x)Te on (100) CdTe substrates by chemical vapor transport (CVT), using HgI2 as a transport agent, were performed in the transient growth regime of this ternary, heteroepitaxial system at normal and reduced gravity during the USML-2 flight. The surface and interface morphology, the compositional and structural uniformity, and carrier mobility of the epitaxial layer and islands grown in microgravity are measurably improved relative to ground specimens. These observations demonstrate the effects of convective flow on the transport, deposition, and growth processes of this solid-vapor system even in the transient growth regime. The properties of the Hg(l-x)Cd(x)Te layer grown in a microgravity environment compare quite favorably to those of layers obtained by other techniques.

Wiedemeier, H.↗

NASA NTRS2002

Effect of Magnetic Fields on g-jitter Induced Convection and Solute Striation During Space Processing of Single Crystals

A 2-D finite element model is presented for the melt growth of single crystals in a microgravity environment with a superimposed DC magnetic field. The model is developed based on the deforming finite element methodology and is capable of predicting the phenomena of the steady and transient convective flows, heat transfer, solute distribution, and solid-liquid interface morphology associated with the melt growth of single crystals in microgravity with and without an applied magnetic field. Numerical simulations were carried out for a wide range of parameters including idealized microgravity conditions, the synthesized g-jitter and the real g-jitter data taken by on-board accelerometers during space flights. The results reveal that the time varying g-jitter disturbances, although small in magnitude, cause an appreciable convective flow in the liquid pool, which in turn produces detrimental effects during the space processing of single crystal growth. An applied magnetic field of appropriate strength, superimposed on microgravity, can be very effective in suppressing the deleterious effects resulting from the g-jitter disturbances.

deGroh, H. C.↗

NASA NTRS2001

Morphological Stability of Faceted Interfaces

The major focus of this investigation is to study the fundamentals of layer spreading mechanisms during growth of doped Ge (a facet forming material), and to determine the conditions for morphological instability of vicinal solid-liquid interfaces. The investigation will also lead to the determination of the effect of dopants on the layer growth kinetics, step free energy, and dopant capture by the advancing ledges. The theoretical treatment of growth of faceted interfaces indicates that the kinetics of a step on a growing vicinal interface considerably depends on its angle of inclination, the melt concentration, and characteristics of flow currents in the melt. The morphological stability of the interface also depends on these parameters, as well as on the density and spreading velocity of the steps. However, the treatment of the instability of the interface by the layer growth mechanism is rather difficult because it requires exact knowledge of the thermal and solutal fields, hydrodynamics of the melt, and supercooling at the interface. The results of recent space experiments of the principal investigator involving directional solidification of faceted Bi-Sn alloys have shown that the morphological stability of various crystallographic orientations is significantly affected by the anistropy in interfacial properties of the faceted alloy in general, and the interface kinetics in particular. These findings have also raised many important and fundamental questions, particularly with respect to the behavior of interfacial steps, which need to be addressed via additional groundbased and microgravity experiments. For the present investigation we will use a novel crystal growth technique which provides axial heat flux close to the solid-liquid boundary. The Axial Heat Processing (AHP) technique allows for precise control and determination of the heat and mass transfer close to the crystallization front, and the establishment of a planar interface over the entire cross-section of the growing crystal.

Abbaschian, Reza↗

NASA NTRS1992

Asymmetric tip morphology of creep microcracks growing along bimaterial interfaces

The asymmetric tip morphology of a creep microcrack propagating along a bimaterial interface is presented based on the assumptions that the near-tip shapes are developed from surface diffusion controlled crack growth and that a steady state prevails. A single master curve still can adequately describe the near-tip shapes to within 6 percent accuracy, but four cases of crack-tip morphology emerge depending on the ratios of surface to interfacial free energy and diffusivity of the adjoining phases. For fixed ratios of the two surface diffusivities, crack tip morphology maps in the space of specific surface energies are constructed with which areas associated with each individual case are indicated. Predicted cases on a set of bimaterial systems are tabulated and discussed.

Chuang, Tze-Jer↗

DOE OSTI2021

Enhancing ion transport in charged block copolymers by stabilizing low symmetry morphology: Electrostatic control of interfaces

Recently, the interest in charged polymers has been rapidly growing due to their uses in energy storage and transfer devices. Yet, polymer electrolyte-based devices are not on the immediate horizon because of the low ionic conductivity. In the present study, we developed a methodology to enhance the ionic conductivity of charged block copolymers comprising ionic liquids through the electrostatic control of the interfacial layers. Unprecedented reentrant phase transitions between lamellar and A15 structures were seen, which cannot be explained by well-established thermodynamic factors. X-ray scattering experiments and molecular dynamics simulations revealed the formation of fascinating, thin ionic shell layers composed of ionic complexes. The ionic liquid cations of these complexes predominantly presented near the micellar interfaces if they had strong binding affinity with the charged polymer chains. Therefore, the interfacial properties and concentration fluctuations of the A15 structures were crucially dependent on the type of tethered acid groups in the polymers. Overall, the stabilization energies of the A15 structures were greater when enriched, attractive electrostatic interactions were present at the micellar interfaces. Contrary to the conventional wisdom that block copolymer interfaces act as “dead zone” to significantly deteriorate ion transport, this study establishes a prospective avenue for advanced polymer electrolyte having tailor-made interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2002

Morphological Evolution and Weak Interface Development within CVD-Zirconia Coating Deposited on Hi-Nicalon Fiber

The phase contents and morphology of a ZrO2 fiber coating deposited at 1050 C on Hi-Nicalon(Tm) by chemical vapor deposition were examined as a function of deposition time from 5 to 120 min. The morphological evolution in the ZrO2 coating was correlated to the development of delamination within the ZrO2 coating. The delamination appears to occur as a result of: (1) continuous formation of tetragonal ZrO2 nuclei on the deposition surface; (2) martensitic transformation of the tetragonal phase to a monoclinic phase upon reaching a critical grain size; and (3) development of significant compressive hoop stresses due to the volume dilation associated with the transformation. Our observations suggest that it will be of critical importance to further understand and eventually control the nucleation and grain growth behavior of CVD ZrO2 and its phase transformation behavior for its potential applications for composites.

Li, Hao↗

NASA NTRS1992

An interface tracking method applied to morphological evolution during phase change

The focus of this work is the numerical simulation of interface motion during solidification of pure materials. First, the applicability of the oft-used quasi-stationary approximation for interface motion is assessed. It is seen that such an approximation results in poor accuracy for nontrivial Stefan numbers. Solution of the full set of equations including grid movement terms yields close agreement with analytical results. Next, a generic interface tracking procedure is designed, which overcomes restrictions of single-valuedness of the interface imposed by commonly used mapping methods. This method incorporates with ease interface phenomena involving curvature, which assume importance at the smaller scales of a deformed interface. The method is then applied to study the development of a morphologically unstable phase interface. The issue of appropriate scaling has been addressed. The Gibbs-Thomson effect for curved interfaces has been included. The evolution of the interface, with the competing mechanisms of undercooling and surface tension is found to culminate in tip-splitting, cusp formation and persistent cellular development.

Shyy, W.↗

DOE OSTI2024

Deconvoluting Effects of Lithium Morphology and SEI Stability at Moderate Current Density Using Interface Engineering

Lithium (Li)-morphology and solid electrolyte interphase (SEI) are among the most significant performance regulators in Li-metal batteries (LMBs). While both Li-morphology and SEI composition play key roles in the cyclability of LMBs, less is understood about the individual contributions of each factor to overall Li reversibility, particularly at a practical current density (1 mA cm −2 ) at which the kinetics of both factors are not naturally separated. Herein, an interface engineering approach is introduced to deconvolute the impacts of Li-morphology and SEI composition on battery performance. By using interfacial nanofilms with differing resistivity (resistive HfO 2 versus conductive ZnO), the morphology of Li is varied, and by virtue of similar acidic character of the nanofilms, the formation of anion-rich SEIs is maintained. It is established that although the surface acidity of the thin films enables preformation of a more anion-rich SEI, it is not preserved after Li plating. It is further shown that resistance-controlled, low-surface-area Li-morphology exhibits up to threefold increase in stable cycle life when tested in multiple electrolytes. Overall, these findings explain why Li-morphological control is more advantageous for performance improvement than preformed SEI modulation due to the inherent challenges in SEI preservation.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Controlling Deformation in Al/Ti: How Interface Roughness and Orientation Drive Bimetal Mechanics

The microstructural characteristics and morphology of interfaces in metals can be crucial in governing the initiation of plasticity and early deformation mechanisms under extreme conditions. During high-strain-rate deformation, these interfaces significantly affect dislocation nucleation, twinning, and other mechanisms that directly impact material strength and failure. Despite their importance, a substantial knowledge gap remains between the observed macroscopic material behavior and the underlying role of bimetal interfaces in plasticity initiation. Here, to address this gap, large-scale molecular dynamics simulations are performed on Al/Ti bimetal structures to examine the effect of interface characteristics on the onset of plasticity under uniaxial compression. Specifically, this study investigates how interface roughness (flat vs waveform interfaces) modifies the initiation of plastic events in the microstructure. Atomistic simulations indicate that interface roughness (a microscopic behavior) reduces the stress required for dislocation nucleation, thereby reducing the peak stress relative to a flat interface. For the square interface, the step height strongly influences plasticity initiation by setting the separation of locally flat regions. Varying the interface rotation relative to the loading direction (macroscopic behavior) reveals that the peak stress for both flat and waveform interfaces initially decreases and then increases with rotation, accompanied by a shift in dominant mechanisms—from Al twinning (flat) to interface sliding and Ti-dominated phase transformation and twinning at lower angles. The change in the stress-strain slope during initial compression reflects how rotation alters the resolved shear stress and activates different slip systems. Overall, the study provides valuable insights into the role of bimetal interfaces in controlling plasticity initiation and early deformation pathways for Al/Ti under extreme loading conditions.

36 MATERIALS SCIENCE↗

NASA NTRS2003

Investigating Morphological Stability of Faceted Interfaces with Axial Heat Processing (AHP) Technique

Successful processing of homogeneous semiconductor single crystals from their melts depends strongly on precise control of thermal and fluid flow conditions near the solid/liquid interface. In this project, we utilize a novel crystal growth technique called Axial Heat Processing (AHP) that uses a baffle, positioned inside the melt near the interface, to supply and/or conduct heat axially to the interface. The baffle, which may or may not have a heater encased in it, can promote more stable and planar growth as well as reduce buoyancy driven convection. The latter is because the baffle reduces the aspect ratio of the melt as it separates the melt into three sections, above the baffle, in the feed gap between the baffle and the crucible wall, and below the baffle between the baffle base and the interface. AHP also enables a close monitoring and/or control of thermal boundaries near the solid/liquid interface during crystal growth by means of thermocouples placed in the baffle. The interface is kept planar when a heating element in the baffle is used. However, a proper choice of melt height is necessary to keep the interface planar when using the baffle without a heater. This study addresses the influence of melt height and growth velocity on the segregation profile of AHP-grown Sb doped Ge single crystals.

Abbaschian, Reza↗