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Integrated Process-Structure-Property Simulations for Additive Manufacturing Using the Open-Source Materialite Package

The microstructure and properties of additively manufactured (AM) metals are strongly dependent on process conditions. Therefore, process-structure-property (PSP) simulations are a useful tool for exploring process parameter space, studying process variations, and quantifying uncertainty in material properties. However, integrating process-structure and structure-property simulations often involves connecting multiple software packages. Each package may use unique data structures and require substantial domain knowledge. This presentation demonstrates PSP simulation capabilities of Materialite, an open-source package developed at NASA Langley Research Center. Materialite simplifies model linkages by using a common data structure and model interface, enabling straightforward simulation across a PSP model chain. Physics-based models, including kinetic Monte Carlo and crystal plasticity, are implemented within the package. The model interface is also intended to simplify implementation of new models and enable integration with external simulation tools. Example use cases include uncertainty quantification with PSP models and GPU-accelerated powder bed fusion AM process models.

additive manufacturing

Beyond Melting: Amorphous Bonding for Joining and Consolidation

Crystallization may be the hidden constraint in thermoplastic composite manufacturing. It requires tightly controlled cooling, induces residual stresses through shrinkage, and introduces path-dependent behavior that complicates predictive modeling yet remains essential for structural performance. This work asks: can bonding be achieved without relying on melt-driven crystallization? To address this, thin (5–20 μm) polyetherimide (PEI) interlayers are pre-healed to slow-cooled polyaryletherketone (PAEK) in two contexts. The first, Thermabond®, is sub-melt joining of low melt-PAEK laminates. Results show that bond quality is governed primarily by processing (i.e., adequate healing and film handling) rather than modest changes in interlayer thickness. This concept is then extended to laminate-scale manufacturing through an architecture known as OATMEAL (Out-of-autoclave Amorphous/semicrystalline Thermoplastic Material for Energy-efficient Aerospace-grade Laminates). PEI is healed to carbon fiber reinforced polyetheretherketone (PEEK) at the prepreg and excess PEI is then ablated from the surface. Crystallinity is developed off-line during prepreg fabrication, while subsequent consolidation occurs below the melt temperature to preserve it. Cross-ply warpage experiments show that, contrary to intuition, repeated amorphous interfaces reduce global curvature by lowering the effective stress lock-in temperature and eliminating crystallization shrinkage from the lamina response. Correspondingly, laminate behavior is accurately predicted using classical laminate theory (CLT) with a single effective stress-free temperature, whereas conventional CF/PEEK requires accounting for crystallization-driven effects. By decoupling interfacial healing from crystallization, OATMEAL enables sub-melt consolidation, reduces energy consumption by up to 75%, and increases manufacturing throughput by fivefold. These results demonstrate that amorphous bonding is not only a joining strategy, but a pathway to more predictable and scalable thermoplastic composite manufacturing.

solidification

The Study of Dopant Segregation Behavior During the Growth of GaAs in Microgravity

An investigation into the segregation behavior of selenium doped gallium arsenide during directional solidification in the microgravity environment was conducted using the Crystal Growth Furnace (CGF) aboard the first United States Microgravity Laboratory (USML-1). The two crystals grown were 1.5 cm in diameter and 16.5 cm in length with an initial melt length of 14 cm. Two translation periods were executed, the first at 2.5 microns/s and after a specified time, which was different between the two experiments, the translation rate was doubled to 5.0 microns/s. The translation was then stopped and the remaining sample melt was solidified using a gradient freeze technique in the first sample and a rapid solidification in the second experiment. Measurement of the selenium dopant distribution, using quantitative infrared transmission imaging, indicates that the first sample initially achieved diffusion controlled growth as desired. However, after about 1 cm of growth, the segregation behavior was driven from a diffusion controlled growth regime to a complete mixing regime. Measurements in the second flight sample indicated that the growth was always in a complete mixing regime. In both experiments, voids in the center line of the crystal, indicative of bubble entrapment, were found to correlate with the position in the crystal when the translation rates were doubled.

D H Matthiesen

Raman and Infrared Spectroscopy of Yttrium Aluminum Borate Glasses and Glass-ceramics

Raman spectra of glasses and glass-ceramics in the Y2O3-Al2O3-B2O3 system are reported. Glasses with B2O3 contents ranging from 40 to 60 mole percent were prepared by melting 20 g of the appropriate oxide or carbonate powders in alumina crucibles at 1400 C for 45 minutes. Subsequent heat treatments of the glasses at temperatures ranging from 600 to 800 C were performed in order to induce nucleation and crystallization. It was found that Na2CO3 added to the melt served as a nucleating agent and resulted in uniform bulk crystallization. The Raman spectra of the glasses are interpreted primarily in terms of vibrations of boron - oxygen structural groups. Comparison of the Raman spectra of the glass-ceramic samples with spectra of aluminate and borate crystalline materials reveal that these glasses crystallize primarily as yttrium aluminum borate, YAl3(BO3)4.

J Bradley

Reliability Modeling of Brittle Anisotropic Materials

A significant effort is being made to develop testing and design methodologies that will account for the lack of ductility and the strength anisotropy exhibited by brittle single crystals such as NiAl. The present approach is to modify existing test methods and brittle design methodologies, such as those applied to ceramics and glasses, and to experimentally verify the results. This paper focuses on the basic materials properties and strength behavior of a NiAl single crystal alloy and the development of a reliability model for the design of components subjected to multiaxial stresses.

Conceivably

AC and DC Fault Management for Megawatt Electrified Aircraft Electrical Powertrains Task 3: Lifetime and Reliability of Electrical Insulators

This research project was a collaborative investigation between researchers at the RTX Technology Research Center (RTRC) and the University of Texas at Austin and made a significant contribution to enabling electric aircraft. The transport of electric power between the points of generation and use requires power cables. These cables must be smaller, lighter and provide a more predictable life than power cables used in stationary applications. Consequently, this investigation provided heretofore unavailable information supporting the safety and reliability of smaller lighter power cables for electrified aircraft. In addition, the research identified key additional engineering data needed to support quantitative reliability assessments. Important advances included: • Demonstrated that at least one manufacturer can make a novel, smaller, lighter power cable that is free from serious defects. • Developed and published an appropriate analytical construct to describe the life of this novel cable. This is a necessary step for use in aviation where the understanding of remaining life is critical. • Demonstrated thermal-mechanical aging that suggested 1000+ flights before the thermal-mechanical processes produced defects large enough that the defect growth was accelerated electrically. • Showed that electrical aging took place at two rates. The first possibly lasting weeks to months and the second possibly days to weeks. If robust, this provides a good diagnostic for cable replacement. • Demonstrated that the traditional electrical testing of cable materials using manufactured voids can be misleading due to the size of the voids. Emerging laser drilling technology permitted demonstration that the physics of failure in realistically small voids is different from that in the unrealistically large voids used in earlier research, which is very important for high-quality, high-performance, small aircraft cables. Although this project represents a significant contribution to the specifics of cable aging in the aircraft environment, important additional research remains to be completed, including: • Non-uniform thermal cycling by applying the heat from the center conductor to maximize thermal stress next to the core area where the electric gradient is the strongest. This builds on the uniform thermal cycling that has been completed. • The augmentation of the thermal-mechanical failure rate by electrical processes. Better understanding of these time constants strongly affects the ability to predict life. • Termination design: Terminations provide not only electrical reflection potential, but a location for a series arc fault and an area where ozone can diffuse into the center conductor and negatively affect cable insulation. • The abrasion and ozone resistance of the cable jacket. • Pressure cycling as an accelerant of thermal, mechanical, and/or electrical aging. • Possible methods for online PD detection and offline PD localization

model

A Survey of Lunar Rock Types and Comparison of the Crusts of Earth and Moon

The principal known types of lunar rocks are briefly reviewed, and their chemical relationships discussed. In the suite of low-KREEP highland rocks, Fe/(Fe + Mg) in the normative mafic minerals increases and the albite content of normative plagioclase decreases as the total amount of normative plagioclase increases, the opposite of the trend predicted by the Bowen reaction principle. Lunar highland samples analyzed are uniformly distributed in this sequence, in which normative plagioclase contents range from ~ 40 percent to ~ 100 percent. The distribution of compositions of rocks from terrestrial layered mafic intrusives is substantially different: here the analyses fall in several discrete clusters (anorthositic rocks, norites, granophyres and ferrogabbros, ultramafics), and the chemical trends noted above are not reproduced. It is suggested that the observed trends in lunar highland rocks could be produced by crystal fractionation in a deep global surface magma system if (1) plagioclase tended to float, upon crystallization, and (2) the magma was kept agitated and well mixed (probably by thermal convection) until crystallization was far advanced and relatively little residual liquid was left. When such a system was finally immobilized, the Fe-, Na-rich residual liquid would produce Fe-rich mafic minerals in the upper levels of the system, but could not much alter the composition of abundant calcic plagioclase. Conversely, the same liquid would produce sodic plagioclase deep in the sequence, but could not much alter the composition of abundant magnesian mafic minerals. After the crustal system solidified, but before extensive cooling had developed a thick, strong lithosphere, mantle convection was able to draw portions of the lunar anorthositic crust down into the mantle in a manner analogous to the present-day behavior of the terrestrial mantle and crust. At depth, the crustal material was heated; KREEP-rich norite was extracted by partial melting and erupted at the surface as a lava, analogous to terrestrial andesite eruptions.

John A Wood

Evaluations of Additively Manufactured Superalloy Lattice Blocks

Cast lattice block structures made up of high-temperature superalloys were previously shown to offer advantages in density, efficiency, and tailored properties. However, inconsistencies in casting die-fill, composition, and microstructure were identified as persistent issues with the casting process path. Three candidate lattice designs were screened through additive manufacturing of a superalloy. Laser powder bed fusion was applied with superalloy powder to produce lattice blocks for three-dimensional octahedral unit-cell designs of three heights. Properties of the structural designs versus additively manufactured lattices were compared, including structural dimensions, densities, defects, grain structures, crystallographic texture, and surface residual stresses. Findings indicate this concept could produce useful superalloy structures for high-temperature-capable static components requiring tailored density, and thermophysical and mechanical properties.

superalloy

Skylab Experiment M552: Exothermic Brazing

The M552 Skylab experiment reveals that brazing in space is feasible. It successfully demonstrated the ability to retain molten metal within a braze tube joint system. Surface energy was the dominant operative force system controlling liquid metal for this experiment. The zero gravity environment for brazing resulted in several differences; increased solubility, increased liquid spreading, more uniform menisci (liquid/vapor interface) and a reduction of braze alloy shrinkage defects. The residual radioactive intensity and location of the redistributed isotope was interpreted to provide a sequential history of braze alloy movement during the melt-flow-solidification stages of the process. Convection theory applied to M552 was validated but some results were not explainable by it, i.e., increased nickel transport and the radial mixing of the silver isotope on samples SLN-2 and SLN-4. All characteristics of thermal analysis appeared to react as expected but heat conduction rates increased because of increased extent, rate and uniformity of braze alloy spreading.

J R Williams

Monte Carlo modeling of atomic oxygen attack of polymers with protective coatings on LDEF

Characterization of the behavior of atomic oxygen interaction with materials on the Long Duration Exposure Facility (LDEF) will assist in understanding the mechanisms involved, and will lead to improved reliability in predicting in-space durability of materials based on ground laboratory testing. A computational simulation of atomic oxygen interaction with protected polymers was developed using Monte Carlo techniques. Through the use of assumed mechanistic behavior of atomic oxygen and results of both ground laboratory and LDEF data, a predictive Monte Carlo model was developed which simulates the oxidation processes that occur on polymers with applied protective coatings that have defects. The use of high atomic oxygen fluence-directed ram LDEF results has enabled mechanistic implications to be made by adjusting Monte Carlo modeling assumptions to match observed results based on scanning electron microscopy. Modeling assumptions, implications, and predictions are presented, along with comparison of observed ground laboratory and LDEF results.

Bruce A. Banks

Evaluation of Superalloy 718 Additively Manufactured Lattice Blocks

Lattice block structures made up of high temperature superalloys could offer advantages in density, efficiency, and tailored properties. Three candidate lattice designs were screened through additive manufacturing of superalloy 718. Laser powder bed fusion was applied with 718 powder to produce lattice blocks for three-dimensional octahedral unit cell designs of three heights. As-designed versus additively manufactured 718 lattices were compared, including structural dimensions, densities, defects, grain structures, crystallographic texture, and surface residual stresses. Manufactured lattice I diverged the most from its design, with both corner and center nodes merged into continuous columns. Manufactured lattice III came closest to its design, though the actual nodes and struts were still larger in cross section than in the design. Only modest grain coarsening and negligible chemical segregation were observed for all three designs, suggesting uniform thermo-physical and mechanical properties are possible. Significant tensile residual stresses were present at the surface of the manufactured blocks, with highest stresses in the building direction. Current findings indicate this concept could produce useful superalloy structures for high-temperature-capable static components requiring tailored density, and thermo-physical/mechanical properties.

super alloys

Petrogenesis of Lunar Rocks: Rb-Sr Constraints and Lack of H2O

Rb and Sr isotopic data and other chemical data indicate major lunar differentiation at about 4.6 AE (AE = 10 9 years) and very limited subsequent differentiation. The constraints of limited differentiation after 4.6 AE and the apparent lack of H20 on the Moon, when applied to the derivation and petrogenesis of lunar samples, suggest the following: (1) soil samples, breccias, metaclastic rocks, and feldspathic basalts represent mixtures of repeatedly modified clastic material, which was ultimately derived from materials formed during the ~ 4.6 AE differentiation; and (2) mare basalts crystallized from melts which formed by partial melting, and which developed without equilibration between the melt and crystalline residuum.

Arden L Albee

Decoupling Surface Topography from Gravitational Acceleration in Cryogenic Pool Boiling

Boiling heat transfer is governed by a complex interplay between surface conditions and gravitational acceleration. To isolate the sole effects of gravity, we investigated the pool boiling characteristics of liquid nitrogen on atomically smooth silicon dioxide (SiO 2 ) surfaces under terrestrial (1-g) and reduced gravity (0±0.02 g) conditions achieved via parabolic flight. Our results quantify a drastic reduction in the critical heat flux (CHF) in reduced gravity, decreasing from 16.15 W/cm 2 at 1-g to 5−6 W/cm 2 at μ-g due to the suppression of buoyancy. Conversely, we observed a distinct increase in the heat transfer coefficient (HTC) in the reduced gravity condition prior to CHF. By utilizing a surface with a maximum peak-to-valley height of ≈36.7 nm and low contact angle hysteresis (<10°), we confirm this HTC enhancement is an intrinsic response to the gravitational environment, decoupled from surface-defect-induced nucleation. These findings demonstrate that the influence of surface topography is significantly more prominent in reduced gravity than in terrestrial conditions, providing a critical baseline for rationalizing the design of cryogenic thermal management systems in space and quantum applications.

Liquid nitrogen

Interpretation of Various Radiation Backgrounds Observed in the Gamma-Ray Spectrometer Experiments Carried on the Apollo Missions and Implications for Diffuse Gamma-Ray Measurements

Since the report of a preliminary analysis of cosmic gamma-ray measurements made during the Apollo 15 mission, an improved calculation of the spallation activation contribution has been made including the effects of short-lived spallation fragments, which can extend the correction to 15 MeV. In addition, a difference between Apollo 15 and 16 data enables an electron bremsstrahlung contribution to be calculated. A high level of activation observed in a crystal returned on Apollo 17 indicates a background contribution from secondary neutrons. These calculations and observations enable an improved extraction of spurious components and suggest important improvements for future detectors.

C S Dyer

Analysis of Surface and Bulk Behavior in Ni-Pd Alloys

The most salient features of the surface structure and bulk behavior of Ni-Pd alloys have been studied using the BFS method for alloys. Large-scale atomistic simulations were performed to investigate surface segregation profiles as a function of temperature, crystal face, and composition. Pd enrichment of the first layer was observed in (111) and (100) surfaces, and enrichment of the top two layers occurred for (110) surfaces. In all cases, the segregation profile shows alternate planes enriched and depleted in Pd. In addition, the phase structure of bulk Ni-Pd alloys as a function of temperature and composition was studied. A weak ordering tendency was observed at low temperatures, which helps explain the compositional oscillations in the segregation profiles. Finally, based on atom-by-atom static energy calculations, a comprehensive explanation for the observed surface and bulk features will be presented in terms of competing chemical and strain energy effects.

Ordering

A Dispersion-Strengthened Low-Density Niobium Alloy and Its Elevated Temperature Mechanical Performance

In response to the elevated-temperature and weight-reduction demands of modern aerospace applications, a novel oxide-dispersion-strengthened low-density niobium alloy (LDNb-ODS) was fabricated using laser powder bed fusion (L-PBF). To overcome powder procurement barriers, L-PBF feedstock was produced by blending commercial Nb521, Ti64, and Cr powder with Y2O3 nanoparticles via resonant acoustic mixing. Following L-PBF and a 1400°C vacuum heat treatment, the alloy achieved a density of 6.73 g/cc and a fine mean grain size of 4.62 µm stabilized by uniform ~30 nm yttria dispersoids. Microstructural analysis revealed a chemically inhomogeneous build with lack-of-fusion defects and a titanium (Ti) shift from a nominal 31.5 wt% in the starting powder blend to 24.8 wt% in the printed part due to preferential Ti loss during printing. Elevated-temperature tensile testing demonstrated that LDNb-ODS maintained a superior specific yield strength of 60-85 MPa/(g/cc) up to 800°C, outperforming nickel-based alloys Ni625, Ni230, and GRX-810. Between 870°C and 950°C, its specific strength surpassed both Ni718 and Ni625. In rapid stress-rupture testing at 1093°C and 20.7 MPa, uncoated LDNb-ODS survived 21.4 hours (a tenfold increase over legacy C-103) while an R512E silicide coating extended rupture life to 84.8 hours, confirming that oxidation accelerates low-stress failure. These findings demonstrate that additive manufacturing of LDNb-ODS provides a viable, lightweight alternative to nickel-based superalloys for high-temperature (>850°C) aerospace components.

Low Density Niobium Alloy

Contaminant characterization of five satellite materials

An extensive laboratory test program was performed to characterize outgassing of five satellite materials. The materials were Chemglaze Z-306 over 9922 primer, M-773 adhesive, multilayer insulation, polyurethane foam, and silverized Teflon. The souces were prepared to the specifications of a typical satellite program. Dynamic thermogravimetric mass loss characteristics of these five materials were obtained in vacuum with a beam microbalance. The temperature of the material was linearly raised from 25 C to over 650 C while monitoring the mass loss, rate of mass loss, temperature, and the composition of the outgassed material by residual gas analysis. Isothermal source emission/capture coefficients/reemission parameters were obtained with an array of quartz crystal microbalances (QCM). A detailed test matrix in which the temperatures of the QCMs (-160 C, - 100 C, -40 C, and +10 C) and the source material (125 C, and 90 C, and 50 C) were varied was performed. The array of QCMs was also used to measure the spatial distribution of the source emission. The effects of vacuum ultraviolet radiation on the deposition and reemission parameters was determined.

J A Muscari

Thermal Design and Thermal Vacuum Testing of the StarBurst Instrument

The StarBurst Multimessenger Pioneer is a small satellite mission serving as a wide-field gamma-ray observatory designed to capture the initial emissions of short gamma-ray bursts, electromagnetic signatures of neutron star mergers. This paper presents the final thermal design and analysis of the StarBurst Instrument, comprising the bus-to-instrument interface plate, control electronics, and twelve crystal detector units, which form the core of the mission’s science capability. The passive thermal control system design requires consideration of restrictive keep-out zones, unknown orbital parameters, and narrow temperature limits of the detectors. Also summarized is the instrument level thermal vacuum cycle test, correlated model refinements, and updated model results. Following successful completion of the instrument test campaign, the hardware was integrated with the spacecraft bus for spacecraft level testing, including additional thermal vacuum testing. The results from the spacecraft level thermal vacuum test will further inform the instrument thermal model, ensuring accurate flight temperature predictions. StarBurst launches as a secondary payload in 2027 and has a mission duration of at least one year.

StarBurst