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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Nickel-based superalloy single crystals fabricated via electron beam melting

Additive manufacturing technologies have emerged as potential disruptive processes whose possible impacts range from supply chain logistics, prototyping, and novel materials synthesis. Numerous works illustrate the ability to control mi- crostructure in fusion based processes and a few recent authors have even produced single crystals. However, a number of open questions remain regarding the process window which enables printing of single crystals. Furthermore, it has been observed that these additively manufactured single crystals exhibit a preferred $\langle$011$\rangle$ secondary orientation. In this work we investigate fabrication conditions which enable printing of single crystals via electron beam melting. A space filling design of experiments is utilized to efficiently explore the fabrication space. Single crystals were success- fully obtained using both commercially available powders and custom melt alloys. Microstructures obtained via these exploratory experiments exhibited a continuum of columnar structures ranging from weakly textured polycrystals, near single crystal, and fully single crystalline material. Complex geometry experiments are performed to study the grain selection mechanism. We find that the grain selection mechanism is independent of the bulk scale geometry and must therefore by driven by local heat transfer and solidification dynamics. Furthermore, grain selection is shown to be driven by competing driving forces; one which prefers epitaxial growth and another which is driven by the imposed scan pattern geometry. Finally, a mechanism is proposed for the anomalous secondary orientation preference.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Sub-melt nanosecond pulsed-laser induced densification and strain-field relaxation in single-crystal diamond

Dislocations and polishing-induced defect networks in synthetic diamond introduce local strain fields and broaden Raman features, limiting performance in optical, thermal, and electronic applications. Laser annealing is emerging as a promising approach to repair surface and near-surface defects in diamond without entering the melt regime, yet surface densification, defect-state modification, and associated structural changes have not been well quantified. In this work, we show that sub-melt nanosecond pulsed-laser annealing (PLA) induces near-surface densification and defect-mediated strain relaxation in single-crystal Chemical Vapor Deposition (CVD) diamond. Single- and two-pulse PLA were applied, and structural evolution was quantified using co-registered ISO 25,178 white-light interferometry, depth-resolved Raman spectroscopy, and cross-sectional STEM with geometric phase analysis (GPA). Across a 5 × 6 grid (n = 30), responsive regions exhibit large reductions in local slope (Sdq 45–65%), developed area (Sdr 60–90%), height spread (Sp, Sz 30–65%), void volume (Vv 57–60%), and roughness amplitude (Sa, Sq 48–57%), consistent with densification of ∼4–6.5 nm. Raman profiling shows narrowing of the diamond line and improved spectral uniformity to depths of ∼2–3 μm. Given that the Raman probing depth significantly exceeds the densified layer thickness, this response is interpreted as consistent with long-range strain-field redistribution originating from the near-surface region. STEM-GPA strain maps further support this interpretation, showing smoother strain fields, suppressed hotspots, and redistribution of localized strain concentrations following PLA. These results are consistent with defect-mediated strain relaxation and densification-driven modification of the near-surface energy state. The approach provides a scalable pathway for improving near-surface structural quality in diamond relevant to electronic, photonic, and quantum applications.

Areal surface metrology (ISO 25,178)↗
DOE OSTI2023

Mass transfer in catalytic depolymerization: External effectiveness factors and serendipitous processivity in stagnant and stirred melts

Several heterogeneous catalysts are being developed to recycle plastics. Most operate in viscous polymer melts, where external mass transfer effects could limit the supply of co-reactants to active sites. External mass transfer can also impede the diffusion of long chain products away from the catalyst after each cut. Product egress limitations could potentially confer unintentional processivity to catalyst operation, i.e. a tendency for the catalyst to repeatedly cut the same chain after an initial encounter. We formulate reaction–diffusion equations to quantify mass transfer effects on the co-reactant transport to the catalyst and the degree of serendipitous processivity. Results are developed for catalysts in stagnant or stirred melts, with simple expressions involving Damkohler, Peclet, and Sherwood numbers, i.e. dimensionless combinations of rate constants, catalyst particle size, polymer diffusivities, and shear rates (where applicable). In conclusion, we estimate the impact of these effects for a spherical core–shell catalyst.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Transforming polymorphs, melting, and boiling during cookoff of PETN

Transforming polymorphs, melting, and boiling are physical processes that can accelerate decomposition rates during cookoff of PETN and make measurements difficult. For example, splashing liquids from large bubbles filled with decomposition products clog pressure tubing in sealed experiments. Boil over can also extinguish thermal excursions in vented experiments making ignition difficult. For better measurements, we have modified the Sandia Instrumented Thermal Ignition (SITI) experiment to obtain better sealed and vented cookoff data for PETN by reducing the sample size and including additional gas space to prevent clogged tubing and boil over. Ignition times were not affected by 1) increasing the gas space by a factor of 3 in sealed SITI experiments or by 2) venting the decomposition gasses. That is, thermal ignition of PETN is not pressure dependent and the rate-limiting step during PETN decomposition likely occurs in the condensed phase. A simple decomposition model was calibrated using these observations and includes rate acceleration caused by melting and boiling. The model is used to predict internal temperatures, pressurization, and thermal ignition in a wide variety of experiments. Furthermore, the model is also used with SITI data to estimate the previously unreported latent enthalpy (5 J/g) associated with the α (PETN-I) to β (PETN-II) polymorphic phase transformation of PETN.

42 ENGINEERING↗
DOE OSTI2022

Hot-melt extrudability of amorphous solid dispersions of flubendazole-copovidone: An exploratory study of the effect of drug loading and the balance of adjuvants on extrudability and dissolution

The FDA-approved anthelmintic flubendazole has shown potential to be repositioned to treat cancer and dry macular degeneration; however, its poor water solubility limits its use. Amorphous solid dispersions may overcome this challenge, but the balance of excipients may impact the preparation method and drug release. Here, we evaluate the influence of adjuvants and drug loading on the development of an amorphous solid dispersion of flubendazole-copovidone by hot-melt extrusion. The drug, copovidone, and adjuvants (magnesium stearate and hydroxypropyl cellulose) mixtures were statistically designed, and the process was performed in a twin-screw extruder. The study showed that flubendazole and copovidone mixtures were highly extrudable, except when drug loading was high (>40%). Furthermore, magnesium stearate positively impacted the extrusion and was more effective than hydroxypropyl cellulose. The extruded materials were evaluated by modulated differential scanning calorimetry and X-ray powder diffraction, obtaining positive amorphization and physical stability results. Pair distribution function analysis indicated the presence of drug rich domains with medium-range order structure and no evidence of polymer-drug interaction. All extrudates presented faster dissolution (HCl, pH 1.2) than pure flubendazole, and both adjuvants had a notable influence on the dissolution rate. In conclusion, hot-melt extrusion may be a viable option to obtain stable flubendazole: copovidone amorphous dispersions.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Numerical benchmark of transient pressure-driven metallic melt flows

Fluid dynamics simulations of melting and crater formation at the surface of a copper cathode exposed to high plasma heat fluxes and pressure gradients are presented. The predicted deformations of the free surface and the temperature evolution inside the metal are benchmarked against previously published simulations. Despite the physical model being entirely hydrodynamic and ignoring a variety of plasma–surface interaction processes, the results are also shown to be remarkably consistent with the predictions of more advanced models, as well as experimental data. This provides a sound basis for future applications of similar models to studies of transient surface melting and droplet ejection from metallic plasma-facing components after disruptions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Controlling the Morphology of Dynamic Thia-Michael Networks to Target Pressure-Sensitive and Hot Melt Adhesives

A series of multistage (pressure-sensitive/hot melt) adhesives utilizing dynamic thia-Michael bonding motifs are reported. The benzalcyanoacetate Michael acceptors used in this work undergo bond exchange under ambient conditions without external catalysis, facilitating pressure-sensitive adhesion. A key feature of this system is the dynamic reaction-induced phase separation that lends reinforcement to the otherwise weakly bonded materials, enabling weak, repeatable pressure-sensitive adhesion under ambient conditions and strong adhesion when processed as a hot melt adhesive. Furthermore, by using different pairs of benzalcyanoacetate cross-linking units, the phase separation characteristics of the adhesives can be directly manipulated, allowing for a tailored adhesive response.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Chemical Recycling of Polycaprolactones via Reactive Melt Processing

Chemical recycling is a promising technology for the deconstruction of waste plastics into monomers or other chemical intermediates, which can be converted into other value-added products or repolymerized into polymers. In this work, polycaprolactone and poly(4-propylcaprolactone) were chemically recycled by exploiting ring-closing depolymerization (RCD). To demonstrate the utility of this approach, reactive distillation experiments were initially conducted in a heated round-bottom flask with a distillation head to explore the effect of temperature and catalyst loading on RCD. Inspired by industrial devolatilization equipment, analogous experiments were conducted using a twin-screw melt compounder that was modified to simultaneously heat and mix polymer in the presence of a catalyst while continuously removing the evolved monomer vapors with a vacuum system and collecting them in a cold trap. Yield and selectivity of the recovered monomer were characterized by 1 H nuclear magnetic resonance spectroscopy and gas chromatography-mass spectrometry. Importantly, the more scalable twin-screw melt compounder approach produced values of monomer selectivity (∼90%) and yield (∼80%) similar to those of the round-bottom flask experiments. The recovered monomers were also successfully repolymerized into the same neat polymer with comparable molar masses without purification steps or adding initiator. Here, the results of this study promote the use of reactive devolatilization extrusion as a scalable approach to polyester depolymerization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Silicate Melting and Vaporization During Rocky Planet Formation

Collisions that induce melting and vaporization can have a substantial effect on the thermal and geochemical evolution of planets. However, the thermodynamics of major minerals are not well known at the extreme conditions attained during planet formation.We obtained new data at the Sandia Z Machine and use published thermodynamic data for the major mineral forsterite (Mg 2 SiO 4 ) to calculate the specific entropy in the liquid region of the principal Hugoniot.We use our calculated specific entropy of shocked forsterite, and revised entropies for shocked silica, to determine the critical impact velocities for melting or vaporization upon decompression from the shocked state to 1 bar and the triple points, which are near the pressures of the solar nebula.We also demonstrate the importance of the initial temperature on the criteria for vaporization. Applying these results to N-body simulations of terrestrial planet formation, we find that up to 20% to 40% of the total system mass is processed through collisions with velocities that exceed the criteria for incipient vaporization at the triple point. Vaporizing collisions between small bodies are an important component of terrestrial planet formation.

58 GEOSCIENCES↗
DOE OSTI2021

Climatology of Melting Layer Heights Estimated From Cloud Radar Observations at Various Locations

A melting layer (ML) detection algorithm for cloud radar with polarimetric capability was developed and applied to the cloud radar data collected from five different sites around the world for several years. The retrieved melting layer top height (MLH) showed a very good correspondence with the ECMWF Reanalysis 5 zero degree level data for all five sites. The ML characteristics were distinctively different for different sites, revealing climatological characteristics of ML forming clouds in different regions. Generally, ML tended to occur more frequently in summer than in winter except for a maritime site, where low stratiform clouds formed frequently in summer, the top of which might be lower than the freezing level. In contrast, at two Arctic sites, ML occurred almost exclusively in summer because it was too cold to have an ML in the other seasons. The MLH also varied significantly from site to site but generally was higher during warmer seasons. Based on MLH, two new indices, bulk temperature lapse rate (BLR) and relative depth (RD) of liquid cloud below MLH (RD) were developed, which were useful to explain the environmental characteristics of the five sites. BLR generally increased with the surface temperature at all sites except at the marine site that showed an opposite trend, where a unique synoptic pattern in winter generated high BLR in this cold season. Finally, these findings confirm that studies on thermodynamic structures using cloud radars can be broadened, taking advantage of BLR and RD information, as these indices can represent environmental thermodynamic characteristics of the clouds that have ML.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Melting of the Fe–C–H System and Earth's Deep Carbon–Hydrogen Cycle

The occurrences and cycling of slab-originated carbon and hydrogen are considered to be controlled by their reactions with metallic iron from mantle disproportionation and slab serpentinization, to form Fe alloys containing carbon and hydrogen. In this work, we show experimental results on the phase relations and melting of the Fe-C-H system using laser-heated diamond anvil cell and X-ray diffraction techniques up to 72 GPa. The incorporation of hydrogen was found to lower the eutectic melting temperatures of Fe-C alloy by ~50–178 K at 20–70 GPa, facilitating the formation of metallic liquids in the deep mantle and thus enhancing the mobility and deep cycling of subducted carbon and hydrogen. Hydrogen also substitutes with carbon in Fe-C metal to form hydride and diamond at relatively high-temperature conditions (e.g., 42.6 GPa, >1885 K and 71.8 GPa, >1798 K). The hydrogen-carbon-enriched metallic liquids provide the necessary fluid environment for superdeep diamond growth.

58 GEOSCIENCES↗
DOE OSTI2024

Microgravity effects on nonequilibrium melt processing of neodymium titanate: thermophysical properties, atomic structure, glass formation and crystallization

The relationships between materials processing and structure can vary between terrestrial and reduced gravity environments. As one case study, we compare the nonequilibrium melt processing of a rare-earth titanate, nominally 83TiO 2 -17Nd 2 O 3 , and the structure of its glassy and crystalline products. Density and thermal expansion for the liquid, supercooled liquid, and glass are measured over 300–1850 °C using the Electrostatic Levitation Furnace (ELF) in microgravity, and two replicate density measurements were reproducible to within 0.4%. Cooling rates in ELF are 40–110 °C s -1 lower than those in a terrestrial aerodynamic levitator due to the absence of forced convection. X-ray/neutron total scattering and Raman spectroscopy indicate that glasses processed on Earth and in microgravity exhibit similar atomic structures, with only subtle differences that are consistent with compositional variations of ~2 mol. % Nd 2 O 3 . The glass atomic network contains a mixture of corner- and edge-sharing Ti-O polyhedra, and the fraction of edge-sharing arrangements decreases with increasing Nd 2 O 3 content. X-ray tomography and electron microscopy of crystalline products reveal substantial differences in microstructure, grain size, and crystalline phases, which arise from differences in the melt processes.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Constraining the release of Sn to the ambient melting point following shock loading using time-resolved x-ray diffraction

The formation of liquid following release from a shocked state governs the transition from spall to cavitation and the formation of ejecta in metals. In order to build physics-based models of these processes, it is necessary to critically evaluate the relative importance of kinetics and entropy generation during the release along with the accuracy of multiphase equations of state. Tin (Sn) has served as a testbed for a variety of experiments examining strength and ejecta due to its accessible melt boundary and solid–solid phase transitions. This work presents experiments examining the phase evolution of high purity Sn following the shock and release to ambient stress near the melting point. Sn is found to release to states between its ambient solidus and liquidus from approximately 19 to 33 GPa under uniaxial loading, with the two-phase region being characterized by a reduction in the intensity of the (220), (211) β -Sn doublet. Jetting experiments performed at 27–28 GPa exhibit comparable diffraction patterns with what is observed following the uniaxial release. The solid fractions of β-Sn in the ambient mixed phase region are found to decrease linearly with increasing shock stress as increasing liquid Sn is formed. Here, the results provide much needed information for interpreting measurements of dynamic strength at a high strain rate and experiments examining cavitation and shallow bubble collapse in Sn.

, spall↗
DOE OSTI2021

Shock compression of silver to 300 GPa: Wave profile measurements and melting transition

Recent in-situ x-ray diffraction (XRD) measurements on laser-shock compressed Ag foils demonstrated a face-centered-cubic to body-centered-cubic transformation at ~150 GPa and melting between 172 and 197 GPa [Phys. Rev. Lett. 124, 235701 (2020)]. As a complement to the XRD work, we conducted plate impact experiments to obtain shock velocity and wave profile measurements on thicker Ag samples shock-compressed to peak stresses between 30 and 300 GPa. The shock velocity–particle velocity results were fitted very well by a linear relation over the entire stress range, providing an accurate determination of the Ag Hugoniot (locus of the stress-volume states achieved under shock compression). For peak stresses below 187 GPa and above 210 GPa—corresponding to the solid and liquid phases, respectively—the wave profiles show clean single waves. No wave profile features related to the fcc-bcc transformation at ~150 GPa were observed, implying minimal volume change for the transformation. For stresses between 187 and 210 GPa, an initial jump was followed by a time-dependent increase in the particle velocity (20–80 ns risetime) to the peak state—corresponding to the solid-liquid mixed phase response. Unlike the solid and liquid response, the mixed-phase response cannot be readily analyzed analytically. Instead, numerical simulations incorporating an accurate multiphase equation of state for Ag—not currently available—are required to analyze the wave profiles measured at 187–210 GPa stresses. Furthermore, the present work shows the potential for using wave profile measurements to examine the melting transition under shock compression.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Sound velocities in shock-compressed soda lime glass: Melting and liquid-state response

Longitudinal sound velocities (and elastic moduli) were determined in soda lime glass (SLG) at peak shock stresses ranging between 40 and 90 GPa. Laser interferometry was used to obtain particle velocity histories and sound velocities by impacting SLG samples on lithium fluoride (LiF) optical windows. In all experiments, the SLG response consists of a sharp jump to a constant state followed by a release wave. The measured longitudinal sound velocities and moduli showed a marked decrease between 52 and 58 GPa, providing experimental evidence for the transformation from an amorphous solid to a liquid in shock-compressed SLG. Furthermore, the stress threshold (~55 GPa) for melting in SLG is considerably lower than the threshold reported in shock-compressed fused silica (~72 GPa), showing the effect of network-modifying cations on the onset of melting. The relative values of sound velocities, shock velocities, and the Hugoniot slopes—between 58 and 90 GPa—are fully consistent with the thermodynamic response of a shock-compressed liquid. Using the experimental results, the Grüneisen parameter (Γ) values were determined for liquid SLG to 90 GPa and then used to provide the Mie-Grüneisen equation of state for liquid SLG.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

UZrCN Synthesis via Arc Melting

The next generation of nuclear reactors for both power production and space nuclear propulsion require fuel that is more durable, thermally stable, and more thermally conductive to support rapid heat transfer. High temperature gas reactors (HTGR), advanced gas reactors (AGR), and space-based nuclear thermal propulsion (NTP) are advanced reactor concepts that require a fuel type that can withstand high temperatures (1000-2900K) and flow of corrosive gas coolants such as helium, hydrogen, and carbon dioxide. One fuel with the potential to meet these demanding requirements is uranium-zirconium-carbonitride (UZrCN). UZrCN has many favorable fuel qualities compared to other eligible fuel forms such as uranium dioxide (UO 2 ) and uranium mononitride (UN) that could support the aforementioned reactor concepts. UZrCN has an exceptionally high operating temperature and thermal conductivity which are highly desirable to improve reactor economics and safety. It far exceeds the properties of UO 2 which is the most common fuel form in the United States. UZrCN also surpasses UN in terms of thermal conductivity and operating temperature by eliminating the dissociation problem UN has at 1700K. UZrCN could improve gas reactor performance and enable NTP technologies; however, it is an under-researched fuel that lacks rigorous scientific study. In recent efforts by the Idaho National Laboratory, a variety of novel methods to produce this fuel composition have been explored. One such method is via arc melting of uranium, zirconium, and carbon under a nitrogen atmosphere. Alloy fabrication using arc melting has been utilized for close to 150 years now and is well-understood as a method for rapid alloy prototyping. This process will be used to perform in-situ nitriding to form UZrCN.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Statistical Homogenization of Elastic and Fracture Properties of a Sample Selective Laser Melting Material

Selective laser melting (SLM) is an additive manufacturing technique commonly used in the rapid prototyping of components. The complexity of the SLM microstructure poses a unique challenge to deriving effective mechanical properties at different length scales. Representative volume elements (RVEs) are often used to homogenize the material properties of composites. Instead of RVEs, we use statistical volume elements (SVEs) to homogenize the elastic and fracture properties of the material. This relates the inherent variation of a material’s microstructure to the variation in its mechanical properties at different observation scales. The convergence to the RVE limit is examined from two perspectives: the stability of the mean value as the SVE size increases for the mean-based approach, and the tendency of the normalized variation in homogenized properties to zero as the SVE size increases for the variation-based approach. Fracture properties tend to make the RVE limit slower than do elastic properties from both perspectives. There are also differences between vertical (normal to printing plane) and horizontal (in-plane) properties. While the elastic properties tend to make the RVE limit faster for the horizontal direction, i.e., having a smaller variation and more stable mean value, the fracture properties exhibit the opposite effect. We attributed these differences to the geometry of the melt pools.

36 MATERIALS SCIENCE↗