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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Degradation science: Integrating modeling and experiments to predict localized corrosion processes (Annual Progress Report)

Additively manufactured (AM) eutectic high-entropy alloys (EHEAs), such as nano-lamellar AlCoCrFeNi 2.1 , have excellent strength, ductility, and wear resistance even at elevated temperatures, but their corrosion behavior in aggressive acids at different length scales remain poorly understood. This work investigates the corrosion behavior of laser powder bed–fused (L-PBF) AlCoCrFeNi 2.1 as a function of annealing temperatures, probing degradation mechanisms from nanoscopic to macroscopic length scales. The alloy is dual phase consisting of a ductile FCC L1 2 phase and a high-strength BCC B2 phase. Rapid solidification during L-PBF produces a far-from-equilibrium nano-lamellar structure with nearly homogeneous elemental distribution, which tends to evolve upon annealing toward Cr/Co/Fe-enriched FCC and Al/Ni-enriched B2. Three conditions were studied: as-printed, 600 °C/5 h, and 1000 °C/1 h, over which B2 lamellae coarsen, lamellar spacing increases, and elemental segregation becomes more prominent. Microstructure and chemistry were characterized by scanning electron microscopy (SEM) and energy-dispersive spectroscopy (EDS), while in-situ electrochemical atomic force microscopy (EC-AFM) was used to link early (<5 h) local dissolution to microstructure after exposure in sulfuric acid. EC-AFM highlights preferential dissolution of the BCC/B2 phase where the surrounding matrix is Cr-depleted and directly quantifies the dissolution rates within individual phases, tracks the transition from early nano-scale attack to partial repassivation, to correlate height differences with current and impedance responses. To monitor longer-term behavior (up to 96 h), ex-situ AFM, SEM, and confocal imaging were combined with conventional bulk electrochemical tests, bridging nanoscale observations to micro/meso-scale damage morphologies. At the meso-scale, the deepest dissolution channels align with the build-direction lamellae and melt-pool boundaries, indicating that printing directionality guides the propagation of these localized corrosion sites. Annealing modifies corrosion by restructuring BCC/FCC phase fractions, lamellar spacing, and Cr/Al segregation, thereby changing the cathode/anode ratio and passive film stability. The results clarify how as-printed and annealed nano-lamellar architectures differ in their susceptibility to selective dissolution; how elemental segregation competes with residual stresses along the build direction. With these insights, future work will use CALPHAD-guided alloy modification to stabilize higher Cr contents in the B2 phase while retaining a dominant FCC+B2/BCC microstructure, with the goal of designing mechanically robust, corrosion-resistant EHEAs for safety-critical applications to leverage the LLNL’s broader national and global security mission.

36 MATERIALS SCIENCE↗
DOE OSTI2021

In-Situ Characterization of Pore Formation Dynamics in Pulsed Wave Laser Powder Bed Fusion

Laser powder bed fusion (LPBF) is an additive manufacturing technology with the capability of printing complex metal parts directly from digital models. Between two available emission modes employed in LPBF printing systems, pulsed wave (PW) emission provides more control over the heat input compared to continuous wave (CW) emission, which is highly beneficial for printing parts with intricate features. However, parts printed with pulsed wave LPBF (PW-LPBF) commonly contain pores, which degrade their mechanical properties. In this study, we reveal pore formation mechanisms during PW-LPBF in real time by using an in-situ high-speed synchrotron x-ray imaging technique. We found that vapor depression collapse proceeds when the laser irradiation stops within one pulse, resulting in occasional pore formation during PW-LPBF. We also revealed that the melt ejection and rapid melt pool solidification during pulsed-wave laser melting resulted in cavity formation and subsequent formation of a pore pattern in the melted track. The pore formation dynamics revealed here may provide guidance on developing pore elimination approaches.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Development of Modified Perturbation Solutions to the One-Phase Stefan Problems With a Convective Boundary

The classical Stefan problem is used to track the moving solid-liquid interface during the freezing process. Perturbation theory has often been applied to find an approximate analytical solution due to the nonlinearity of the moving interface. However, the Stefan number (i.e., the sensible over latent heat) must be small and usually less than 0.01 to assume the perturbation expansion, which in turn limits the thermal engineering applications. In this study, a modified perturbation solution is developed by adding a correction term after the leading-order solution to be valid for a much wider range of Stefan numbers (i.e., 0.01 less than or equal to Ste less than or equal to 1). Specifically, a one-phase Stefan problem is first formulated subjected to a convective boundary in the Cartesian, cylindrical, and spherical coordinate systems for inward solidification. The leading-order solution is calculated based on the regular perturbation theory, while the correction term is obtained using the Monte-Carlo method and a multi-variant regression. Results show that the correction term has a linear relationship with the Stefan number and is not significantly influenced by the Biot number. The proposed modified perturbation solution can accurately and rapidly predict the nonlinear moving interface motion for the freezing process.

DIRECT ENERGY CONVERSION,MATHEMATICS AND COMPUTING↗
DOE OSTI2025

PROCESS-STRUCTURE-PROPERTY RELATIONSHIPS IN LASER POWDER BED FUSION PRODUCED 17-4 PH STEEL

Laser powder bed fusion (LPBF) is a metal additive manufacturing method that produces non-traditional microstructures as a result of the rapid solidification and thermal cycling inherent to the process. When using LPBF-produced material in application, these unique microstructures challenge the applicability of well developed mechanical property databases achieved by conventional heat treatments. For wider adoption of this technology, a more holistic understanding is necessary on how process attributes develop material structure, which dictate mechanical properties. This dissertation explores the process– structure–property relationships in LPBF 17-4 PH steel through systematic evaluation of atmospheric processing and heat treatment effects on microstructure and mechanical performance. Specimens were fabricated under controlled build environments, subjected to a range of solutionizing, homogenizing, and aging treatments, and characterized using optical microscopy, electron back scatter diffraction (EBSD), and X-ray diffraction (XRD) to quantify phase evolution. Tensile testing was performed to directly link heat treatment pathway and nitrogen absorption to mechanical performance. This work demonstrates where conventional heat treatment standards are applicable to LPBF 17-4 PH steel and where modifications are required. By directly correlating phase stability, nitrogen effects, and tensile response, this work provides practical guidelines for tailoring post-processing strategies. These findings underscore that successful application of LPBF 17-4 PH steel requires explicit consideration of both build environment and post-processing. By linking processing conditions to microstructure and performance, this work advances understanding of critical variables that govern reliability of additively manufactured precipitation-hardened stainless steels in demanding applications.

Brown, Benjamin [Kansas City National Security Cam↗
DOE OSTI2018

Cementitious Waste Form Development for Treatment of EMF Evaporator Bottoms - 18611

Direct Feed Low-Activity Waste operations at the Hanford Site (Washington State, USA) involve concentrating the Hanford low-activity waste (LAW) melter off-gas condensate waste stream by evaporation at the Effluent Management Facility (EMF) followed by recycle back to the melter feed. The EMF evaporator bottoms waste stream is expected to contain variable, high levels of halides and sulfate that could strain LAW melter performance and co-mingled radionuclides, technetium-99 ({sup 99}Tc) and iodine-129 ({sup 129}I), that readily volatilize in the LAW melter and are expected to accumulate during recycle. To this end, there is a need for alternative disposition paths for the EMF evaporator bottoms waste stream that bypass recycling to the LAW melter. One such alternative is solidification in low-temperature cementitious waste forms (CWFs) that meet disposal facility acceptance criteria. The work herein addresses recent waste form development and testing performed to identify CWF candidates that meet off-site disposal acceptance criteria and/or on-site Hanford Integrated Disposal Facility waste acceptance criteria. Phase one testing activities included the production and evaporation of simulated EMF evaporator feed from the Hanford Waste Treatment and Immobilization Plant melter offgas effluent liquid secondary waste stream, which was then analyzed to demonstrate the behavior and fate of contaminants of concern (COCs). Based on analyses from these preliminary tests, a simulant for the EMF evaporator bottoms waste stream was formulated and used to evaluate several dry material compositions proposed for CWF development and testing. In particular, dry ingredient recipes used in early testing efforts contained a combination of ordinary Portland cement (OPC), Class F fly ash (FA), blast furnace slag (BFS), Aquaset{sup R} II-H, and/or Aquaset{sup R} II-GH to generate CWFs at various water-to-dry material ratios. CWFs were then tested according to the Toxicity Characteristic Leaching Procedure (TCLP) for COCs, such as Cr, Zn, As, and Se, to determine which specimens comply with land disposal restrictions (40 CFR 268). The results of TCLP testing showed that chromium leaching was a persistent challenge, except when using the original Cast Stone dry ingredient recipe (8% OPC, 47% BFS, 45% FA) to immobilize the EMF evaporator bottoms simulant. Improving Cr immobilization and evaluating leaching behavior for COC Hg were identified as objectives for the second phase of testing. During second phase testing efforts, a screening test was performed to determine whether the bulk EMF waste composition is a factor in producing an acceptable solidified waste form. A series of eight simulants with varying concentrations of major salts of boron, chloride, nitrite, and sulfate were prepared and immobilized using three dry ingredient recipes. Each dry ingredient recipe contained two to three of the following: BFS, OPC, FA, and Aquaset{sup R} II-GH. All eight simulants were spiked with Zn, Cr, As, Se, and Hg prior to production of the CWFs, similar to previous tests, and used to test for residual free liquids and TCLP analysis. The TCLP results indicate that all phase two formulated CWFs meet land disposal requirements when compared to Universal Treatment Standards (40 CFR 268) for hazardous wastes, regardless of simulant composition. Furthermore, re-absorption of residual free liquids is most quickly achieved for nearly all simulant compositions using the original Cast Stone recipe; however, replicas analysis is required to corroborate these findings. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2004

Direct Observation of Controlled Melting and Resolidification of Succinonitrile Mixtures in a Microgravity Environment

In support of the Pore Formation and Mobility Investigation (PFMI) direct observation of experiments on the controlled melting and subsequent resolidification of succinonitrile were conducted in the glovebox facility (GBX) of the International Space Station (ISS). Samples were prepared on ground by filling glass tubes, 1 cm ID and approximately 30 cm in length, with pure succinonitrile (SCN) and SCN-Water mixtures under 450 millibar of nitrogen. Experimental processing parameters of temperature gradient and translation speed, as well as camera settings, were remotely monitored and manipulated from the ground Telescience Center (TSC) at the Marshall Space Flight Center. Sample temperatures are monitored by six in situ thermocouples. Real time visualization during melt back revealed bubbles of different sizes initiating at the solid/liquid interface, their release, interactions, and movement into the temperature field ahead of them. Subsequent re-solidification examined planar interface breakdown and the transition to steady-state dendritic growth. A preliminary analysis of the observed phenomena and its implication to future microgravity experiments is presented and discussed.

Grugel, R. N.↗
DOE OSTI2025

Establishing model credibility for process-microstructure-property relationships in additive manufacturing using exascale computing

Additive Manufacturing (AM) of alloys holds significant promise as a disruptive technology in various industries, yet its adoption is often hindered by challenges in achieving consistent part quality. These issues are primarily due to the complex process-microstructure-property (PSP) relationships inherent to AM. Computational models can greatly aid in understanding these relationships, but their widespread impact and adoption has been limited by a lack of validated, open-source, and computationally efficient PSP modeling frameworks and hardware limitations. Here, this study leverages the ExaAM software suite and data from the AMBench-2018 series of laser powder bed fusion (LPBF) benchmark experiments to perform a comprehensive model assessment, including verification, validation, sensitivity analysis, and uncertainty quantification. The RADICAL-EnTK workflow manager was used to perform an ensemble of heat transport, solidification, and mechanical response simulations on the exascale computer Frontier, considering uncertainties in critical model inputs such as laser spot size and nucleation parameters, and consisting of 125 explicit grain structure simulations and 7875 crystal plasticity simulations. For a selected location within the Inconel 625 AMBench-2018 test artifact, sensitivity analysis and uncertainty quantification were performed using the predicted distributions of grain structure and mechanical properties. Qualitative agreement was found between the predicted grain size and texture and the observed AMBench-2018 microstructure, the mean predicted yield stress was within 5% of the experimental measurement mean, and the mean predicted engineering stress at 5% strain was within 10% of the experimental measurement mean. The insights gained from development and validation of the ExaAM PSP modeling framework will help guide future directions for enhancing the credibility and reliability of PSP models in AM, thereby accelerating the adoption of AM technologies in various industries.

Additive manufacturing↗
DOE OSTI2022

Time-resolved 3D characterisation of early-age microstructural development of Portland cement

Abstract Time-resolved in-situ synchrotron X-ray microtomography reveals new levels of detail about the chemical and physical processes that take place as Portland cement hardens. The conversion of a fluid paste into a hardened product can be monitored on a sub-minute time-scale, and with sample movement/settlement corrections applied to enable individual particles to be tracked as they react, hydrate, and become interconnected into a single strong monolith. The growth of the strength-giving hydrate phases surrounding cement grains, and of the fluid-filled pore network that surrounds them, is able to be directly viewed at the level of individual cement particles through the application of this tracking protocol. When cement is brought into contact with water, a layer which differs in density from the bulk of the cement grains becomes observable on the grain surfaces during the induction period (during which time the heat evolution from the paste is relatively low). As hydration continues, reaction products grow both from particle surfaces into the initially fluid-filled region, and also into the space originally occupied by the cement particles, forming a density gradient within the microstructure. As the reaction accelerates and larger volumes of solid phases precipitate, the newly-formed solid structure percolates via interconnection of agglomerated low-density outer hydrates, which then densify as hydration continues. This eventually leads to solidification of the structure into a hardened porous matrix. Graphical abstract

36 MATERIALS SCIENCE↗
NASA NTRS2009

Tensile Properties and Microstructure of Inconel 718 Fabricated with Electron Beam Freeform Fabrication (EBF(sup 3))

Electron beam freeform fabrication (EBF3) direct metal deposition processing was used to fabricate two Inconel 718 single-bead-width wall builds and one multiple-bead-width block build. Specimens were machined to evaluate microstructure and room temperature tensile properties. The tensile strength and yield strength of the as-deposited material from the wall and block builds were greater than those for conventional Inconel 718 castings but were less than those for conventional cold-rolled sheet. Ductility levels for the EBF3 material were similar to those for conventionally-processed sheet and castings. An unexpected result was that the modulus of the EBF3-deposited Inconel 718 was significantly lower than that of the conventional material. This low modulus may be associated with a preferred crystallographic orientation resultant from the deposition and rapid solidification process. A heat treatment with a high solution treatment temperature resulted in a recrystallized microstructure and an increased modulus. However, the modulus was not increased to the level that is expected for Inconel 718.

Bird, R. Keith↗
DOE OSTI2018

Effects of boron addition on the morphology of silicon phases in Al-Si casting alloys

Highlights: • The influence of boron on Si phase was studied. • Boron addition reduces the length of eutectic Si plates in Al-11Si alloys. • Boron addition promotes the nucleation temperature of primary Si phases in Al-14Si alloys. • Boron addition increases the twin density in the <112>{sub Si} growth direction of eutectic Si in Al-11Si and Al-14Si alloys. - Abstract: The influence of B elements on the morphology of Si phases in Al-11Si and Al-14Si alloys has been investigated employing Optical Microscope, Scanning Electron Microscopy, Transmission Electron Microscopy and Differential Scanning Calorimetry. In Al-11Si alloy, the addition of B element not only refines the primary Al dendrites, but also reduces the length of eutectic Si plates. In Al-14Si alloys, the addition of B element promotes the nucleation temperature of primary Si phases, but shows weak influence on the nucleation temperature of eutectics. The effects of B element on the morphologies of both primary Si particle and eutectics can be attributed to the interaction between B and Si elements during the solidification process.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Computations of drop collision and coalescence

Computations of drops collision and coalescence are presented. The computations are made possible by a recently developed finite difference/front tracking technique that allows direct solutions of the Navier-Stokes equations for a multi-fluid system with complex, unsteady internal boundaries. This method has been used to examine the boundaries between the various collision modes for drops of equal size and two examples, one of a 'reflective' collision and another of a 'grazing' collision is shown. From drops of unequal size, coalescence can result in considerable mixing between the fluid from the small and the large drop. This problem is discussed and one example showed. In many cases it is necessary to account also for heat transfer along with the fluid mechanics. We show two preliminary results where we are using extensions of the method to simulate such a problem. One example shows pattern formation among many drops moving due to thermal migration, the other shows unstable evolution of a solidification front.

Tryggvason, Gretar↗
NASA NTRS1994

Residual stresses in welded plates

The purpose of this project was to develop a simple model which could be used to study residual stress. The mechanism that results in residual stresses in the welding process starts with the deposition of molten weld metal which heats the immediately adjacent material. After solidification of weld material, normal thermal shrinkage is resisted by the adjacent, cooler material. When the thermal strain exceeds the elastic strain corresponding to the yield point stress, the stress level is limited by this value, which decreases with increasing temperature. Cooling then causes elastic unloading which is restrained by the adjoining material. Permanent plastic strain occurs, and tension is caused in the region immediately adjacent to the weld material. Compression arises in the metal farther from the weld in order to maintain overall static equilibrium. Subsequent repair welds may add to the level of residual stresses. The level of residual stress is related to the onset of fracture during welding. Thus, it is of great importance to be able to predict the level of residual stresses remaining after a weld procedure, and to determine the factors, such as weld speed, temperature, direction, and number of passes, which may affect the magnitude of remaining residual stress. It was hoped to use traditional analytical modeling techniques so that it would be easier to comprehend the effect of these variables on the resulting stress. This approach was chosen in place of finite element methods so as to facilitate the understanding of the physical processes. The accuracy of the results was checked with some existing experimental studies giving residual stress levels found from x-ray diffraction measurements.

Bernstein, Edward L.↗
NASA NTRS1986

Research and competition: Best partners

NASA's Microgravity Science and Applications Program is directed toward research in the science and technology of processing materials under conditions of low gravity. The objective is to make a detailed examination of the constraints imposed by gravitational forces on Earth. The program is expected to lead ultimately to the development of new materials and processes in Earth-based commercial applications, adding to this nation's technological base. An important resource that U.S. researchers have readily available to them is the new Microgravity Materials Science Laboratory (MMSL) at NASA Lewis Research Center in Cleveland. A typical scenario for a microgravity materials experiment at Lewis would begin by establishing 1-g baseline data in the MMSL and then proceeding, if it is indicated, to a drop tower or to simulated microgravity conditions in a research aircraft to qualify the project for space flight. A major component of Lewis microgravity materials research work involves the study of metal and alloy solidification fundamentals.

Shaw, J. M.↗
NASA NTRS1990

A laboratory means to produce tough aluminum sheet from powder

The rapid solidification of aluminum alloys as powder and the subsequent fabrication processes can be used to develop and tailor alloys to satisfy specific aerospace design requirements, including high strength and toughness. Laboratory procedures to produce aluminum powder-metallurgy (PM) materials are efficient but require evidence that the laboratory methods used can produce a product with superior properties. This paper describes laboratory equipment and procedures which can be used to produce tough aluminum PM sheet. The processing of a 2124 + 0.9 percent Zr aluminum alloy powder is used as an example. The fully hardened sheet product is evaluated in terms of properties and microstructure. The key features of the vacuum hot press pressing operation used to consolidate the powder are described. The 2124 + 0.9 percent Zr - T8 temper aluminum sheet produced was both strong (460-490 MPa yield strength) and tough (Kahn Tear unit-propagation- energy values over three times those typical for ingot metallurgy 2024-T81). Both the longitudinal and longitudinal-transverse directions of the sheet were tested. The microstructure was well refined with subgrains of one or two micrometers. Fine dispersoids of Al3Zr in the precipitate free regions adjacent to boundaries are believed to contribute to the improved toughness.

Singleton, O. R.↗
NASA NTRS1994

Effects of vibration (G-jitters) on convection in micro-gravity

To obtain high quality crystals, it is desirable to maintain a diffusion-limited transport process in a planar solidification surface between the solid and the melt during the crystal growth process. Due to the presence of buoyancy-driven convection, however, this situation is difficult to maintain on Earth. The microgravity environment of an orbiting space laboratory presents an alternative worth pursuing. With reduced gravity, convections very much suppressed in a space laboratory, making the environment more conducive for growing crystals with better quality. However, a space laboratory is not immune from any undesirable disturbances. Nonuniform and transient accelerations such as vibrations, g-jitters, and impulsive accelerations exist as a result of crew activities, space maneuvering, and the operations of on-board equipment. Measurements conducted on-board a U.S. Spacelab mission showed the existence of vibrations in the frequency range of 1 to 100 Hz. It was reported that a dominant mode of 17 Hz and harmonics of 54 Hz were observed and these were attributed to antenna operations. The vibration is not limited to any single plane but exists in all directions. Some data from the Russian MIR space station indicates the existence of vibration also at this frequency range.

Wang, Francis C.↗
DOE OSTI2021

Solid Phase Gradient Alloying Method via ShAPE

Alloying has been used to confer desirable properties to various metallic systems since the bronze age. For example, Ni, Mn, and Cr are alloyed into an Fe matrix to make steel, which has improved strength and corrosion resistance (as displayed in Fig. 1). In addition to the type of alloying elements, the amount of alloying elements added into a matrix is also very critical for a material’s mechanical property, physical property, machinability, and cost. Conventionally, new alloys are discovered by combining alloy precursors and elemental constituents into a mixture and melting them together. The solidified product or ingot represents a usually non-homogeneous combination of the chemistry with a microstructure dictated by the physics of solidification. It is time and energy intensive to optimize the alloying amounts via the casting process and hence, economically not conducive to rapid alloy discovery. In addition, the cast microstructure seen in the as-cast ingot is often not the ideal, nor even desired structure for optimized performance. Cast materials often need further processing such as homogenization, annealing, and deformation work put in through rolling, forging, extruding, etc. to have favorable microstructures and properties. A faster method to discover new alloy combinations and evaluate them in their worked or processed form is needed. Recently, Laser Engineered Net Shaping was applied to fabricate gradient compositional material for alloy designing. However, the mechanical properties of this gradient alloy were poor due to the existence of impurities, oxidation and cracks that are inherent in the melt-solidification process. Because of these limitations, we propose to use a solid-phase process (ShAPE) to create bulk materials (extrudates) that vary in composition from one end of the extruded solid to the other. Various manufacturing methods for alloy design including conventional casting method, laser based combinatorial method and current solid phase gradient alloying method are displayed and compared in Fig. 2. ShAPE machine and a schematic of ShAPE process are displayed in Fig. 3. Starting material is processed by a rotating and plunging die to form an extrudate. We are proposing through this methodology to invent a new, bulk-scale combinatorial technique. With this novel technique, alloying element can be dissolved into the matrix with a continued gradient without bulk melting. Formation of inter-metallics and defects originating from melt processing can be avoided. In addition, the ShAPE process creates the mixed alloy chemistry, and meanwhile subjects the material to severe plastic strain, which induces the favorable “worked” microstructure. Products from the ShAPE process can be tested in hardness directly providing a path to rapid evaluation of mechanical properties. The ability to create graded structures using friction stir processing (FSP) has been demonstrated, however using the ShAPE process we believe will lead to much faster and higher fidelity results. When combined with high throughput screening methods of physical, mechanical and microstructural property characterization, efficiency and accuracy of alloy design can be significantly improved.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Gallium isotopic constraints for the origin of the Earth-Moon system

Comparatively heavy isotopic compositions of moderately volatile elements (MVE) in lunar rocks have been advocated to reflect the loss of light isotopes during devolatilization processes from the Moon. In this study we present new gallium (Ga) isotope data for lunar highland rocks, with a focus on the Ferroan Anorthosite Suite (FAS). These are commonly thought to be direct crystallization products from the late lunar magma ocean (LMO) and should contain the majority of the Ga inventory of the Moon. As such, FAS rocks are crucial for identifying the processes that drove Ga isotope fractionation as well as for inferring the Ga isotopic composition of the bulk Moon. Our data reveal that FAS samples have a range in δ 71 Ga from -0.27 to 0.22‰ and are generally isotopically light in Ga compared to other lunar lithologies, but straddle values typical of terrestrial rocks. Although Ga is defined as an MVE, these Ga isotope variations do not correspond with concentrations of more volatile elements, indicating that Ga isotope variations in the FAS are not primarily controlled by devolatilization processes. Instead, the Ga isotopic compositions of bulk FAS rocks broadly correlate with the composition of plagioclase, with the calcium content of plagioclase decreasing as Ga becomes isotopically heavier. This suggests that fractionation of Ga isotopes in FAS rocks was caused by the preferential incorporation of isotopically light Ga into plagioclase during the later solidification stages of the LMO. The progressive crystallization and extraction of plagioclase forces the residual melt towards increasingly heavier Ga isotope ratios, corroborating similar conclusions derived from correlations between δ 71 and Eu* in the mare basalt suite. Using Ga isotope partitioning calculations, we demonstrate that an isotope fractionation coefficient between plagioclase and coexisting melt of -0.3 to -0.4‰ could explain the observed range of δ 71 values in FAS, mare basalt suite rocks, and KREEP. These calculations allow for a first order estimate of the Ga isotopic composition of the bulk silicate Moon prior to plagioclase fractionation and suggest it was close to the composition of the bulk silicate Earth. This would imply that the Moon did not lose a substantial fraction of its Ga inventory during accretion, consistent with new constraints from Rb-Sr isotope systematics that indicate the Moon's volatile deficit was primarily inherited from Theia. In conjunction with the overlap in non-mass-dependent isotope ratios, these collective observations could be reconciled if Theia and the proto-Earth formed in similar regions of the inner Solar System that were already volatile-depleted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

New outlook on control of crystalline and chemical perfection during growth of silicon

Significant progress has been made in our understanding of the Czochralski crystal growth process with the realization that the incorporation of oxygen into silicon is directly related to the internal gettering capability of wafers during device fabrication. It was also recognized that the electronic properties exhibited by silicon during various stages of device fabrication were significantly affected by the thermal history of the silicon during the post-growth cool-down period. Turbulent melt convection, induced by unavoidable destabilizing thermal gradients, was found to interfere with homogeneous dopant (and oxygen) incorporation and to influence markedly the dynamics of nonequilibrium point defects in the solidified silicon matrix during the cool-down period. In view of the unavoidability of destabilizing thermal gradients in conventional crystal growth configurations, melt stabilization through the application of magnetic fields is generally considered a viable approach. Control of heat input to the melt through heat pipe systems, as used during growth of germanium, cannot be applied to industrial growth of silicon. Recent studies have shown that heat exchange systems located coaxially about a growing crystal can be used to stabilize and control not only heat transfer in the grown crystal, but also in the melt adjacent to the solidification interface.

Witt, A. F.↗