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NASA NTRS1984

The absence of convective stability in incongruent crystal growth on Earth

It is often assumed that convection can be excluded in materials processing by avoiding horizontal temperature gradients, and employing top-heating and horizontal interfaces. Model calculations for vapor transport processes show that this supposition holds only for strictly congruent vapor-solid transitions. This result can be generalized to all fluid-solid phase transitions. Due to the omnipresence of impurity segregation, it is concluded that convective stability is practically unattainable in materials processing on Earth.

Rosenberger, F. E.↗

NASA NTRS1985

Influence of Melt Convection on Solid-Liquid Interface Under Terrestrial and Reduced Gravity Environments

Solidification and crystal growth processes involve thermal and solutal gradients within a molten phase. In the presence of gravity, such gradients result in convective flows which interact with diffusion fields at the solid-liquid interface. Dendritic growth kinetics was studied in transparent model systems which freeze similarily to most metals. Succinonitrile shows a strong influence of convection at supercoolings below about 1K. Fluid flows adjacent to solid-liquid interfaces and the behavior of shear flows in vertical annular geometries are studied. Novel low-frequency eigenstates were discovered and classified as coupled modes, for their involvement with interfacial deformation coupled to the fluid flow, and are unknown in systems without deformable interfaces. The dependence of coupled convection modes on interfacial geometry, gravity, fluid properties, and transformation characteristics studied for several annual flow arrangements with nominally pure solid-liquid systems.

Glicksman, M. E.↗

NASA NTRS1973

Frequency shifting with a solid-state switching capacitor

Frequency shifting, commonly used in electronic signal processing, is applied in tuning, automatic frequency control, antenna element switching, phase shifting, etc. Frequency shifting can be accomplished economically and reliably with simple circuit comprising conventional resistor and solid-state switching device which can be equivalent to two capacitors, depending on switching state.

Mattauch, R. J.↗

DOE OSTI2025

Novel Superionic Na Conductors for Solid‐State Na batteries: Materials and Interface

This project aims to advance the fundamental understanding on how the cation or anion doping influence on the crystal structure, phase stability and ion transport of novel Na superionic conductors. Specifically, we focus on the Na 3-x A x SbS 4-y X y family solid electrolytes (A: cation dopant, X: anion dopant), a class of promising materials for all-solid-state sodium batteries owing to their high ionic conductivity and compositional tunability. By integrating materials synthesis, neutron scattering, and electrochemical characterization and theoretical simulations, this project sees to elucidate 1) how does the synthesis approaches (solid-state reaction, low-temperature reaction) on the phase purity and doping process; 2) how chemical doping (A: cation dopants such as Sn; X: anion dopants such as Se, F) modulate lattice dynamics and Na+ migration as well as interface stability toward Na metal. Specifically, this project’s proposed technology involves three objectives: (1) synthesize novel Na-ion conductors (anion or cation doped Na 3 SbS 4 ) with high phase purity and examine their structural features (e.g., phase stability); (2) understand Na-ion conductive properties of new Na-ion conductors through a combination of experimental characterizations and theoretical simulations; (3) investigate the interface stability of novel Na superionic conductors with electrode materials in solid-state Na batteries. These objectives will be achieved through combined experimental synthesis/characterizations and computational approaches. The obtained knowledge will provide a comprehensive synthesis-structure-property correlation, enabling the rational design of novel solid-state conductors with excellent conductivity and stability.

25 ENERGY STORAGE↗

DOE OSTI2025

Chemical Compensation Challenges in Processing Antiferroelectric PbZrO 3 Thin Films

The electric field-induced antipolar-to-polar phase transition in antiferroelectric materials is accompanied by large changes in the structural and functional response, making them attractive for many applications ranging from pulsed energy capacitors to high-strain-high (blocking-)force actuators, solid-state heating and cooling systems, and optoelectronic devices. PbZrO 3 , as an end member of the PZT, (x)PbZr 1–x Ti x O 3 , solid solution, has been the subject of many studies. However, processing of perovskite PbZrO 3 is extremely challenging due to phase instabilities induced by Pb loss at the temperatures necessary for perovskite crystallization. Here, we discuss the challenges associated with Pb loss, as well as its compensation through bulk Pb overstoichiometry and interfacial PbO additions, in chemical solution processed, highly oriented PbZrO 3 thin films. For both 042 o - and 001 o -oriented (o-orthorhombic distortion) PbZrO 3 thin films, the crystallization interfaces are the most important contributors to Pb loss and off-stoichiometric outcomes, and no single approach was sufficient to address these challenges. Pb-rich and Pb-deficient nonperovskite phases including ZrO x were only observable through microscopic characterization, and X-ray diffraction alone could not rule out the presence of such secondary phases. “Ideal” macroscopic antiferroelectric polarization-electric field double hysteresis curves were observed despite (at times) the large presence of secondary phases. However, reduced saturation polarization and increased phase transition electric fields were observed concomitantly with the presence of secondary phase(s) and tentatively assigned to the voltage drop across the ZrO x nanocrystals. Based on these results, it is imperative that the presence of secondary phases always be addressed (beyond X-ray diffraction spectra) in order to correctly evaluate the properties of antiferroelectric films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1978

Solid state photochemistry of polycarbonates

The quantum yield of photoFries rearrangement in a polycarbonate film has been analyzed as a function of temperature and humidity on the basis of previously reported (Koyler and Mann, 1977) experimental data. Results indicate that in the homogeneous amorphous phase, photoFries rearrangement is a concerted process proceeding either from the pi star reversed arrow n singlet, in which case it must be subject to considerable self quenching, or from a triplet, presumably the first triplet since the lifetime of higher triplets is expected to be very short in the solid phase. If the parent excited state is the first triplet, chain scission is possibly an independent process, probably occurring from the pi star reversed arrow n singlet. Evidence of chain scission on photodegradation in the solid state includes loss of C-O and C-C bond intensities revealed in the Fourier transform infrared spectra, gel permeation chromotography elution profiles of degraded film samples dissolved in CHCl3, and a decrease in tensile strength and T sub g as photodegradation proceeds. Chain scission is apparently inhibited as photoFries products accumulate.

Gupta, A.↗

DOE OSTI2024

A Review of Modeling Approaches for Predicting Frost Growth and Defrosting on Tube-Fin Heat Exchangers: Preprint

Frost formation and growth on the evaporator surface is a common process that deteriorates the air-refrigerant heat transfer and restricts airflow. This degrades the performance of the vapor compression system by increasing temperature lift and air-side pressure drop. To accurately predict these effects during coil frosting, as well as the energy use and duration of the defrost process, there is a need to estimate the heat and mass transfer, momentum transport, and solid-liquid and liquid-vapor phase change. Therefore, in the past few decades, continuous effort has been made to model frosting and defrosting processes using approaches ranging from empirical correlations to computational fluid dynamic models. To provide a clearer overview for researchers, engineers, and manufacturers in this field, this paper provides a comprehensive literature review for frosting and defrosting models. The paper begins with theoretical background of frost formation and defrost processes, and then reviews the common modeling approaches in literature and their underlying assumptions when trying to account for various physical phenomenon. Based on the literature review, the most critical modeling effort for frost formation is the determination of frost densification rate and frost growth rate. Various methods to predict these two parameters are reviewed. Empirical correlations commonly used for frost density and thermal conductivity are presented and compared. For the defrost process, various multi-stage models have been proposed with different assumptions. Some assume the presence of air gap between the tube wall and the frost, while others consider the melted frost flow due to gravity. We also review physics-based and empirical approaches to integrate defrost models into heat pump models. We conclude by identifying research gaps and providing recommendations.

defrost↗

DOE OSTI2026

Distinct Melt Infusion Architectures of Antiperovskite Solid Electrolytes

Antiperovskite solid electrolytes are an emerging class of lithium‐ion conductors distinguished by their unusually low melting points, enabling scalable, low‐temperature processing routes not accessible to most solid electrolytes. In this work, we synthesize phase‐pure chloride (Cl), bromide (Br), and mixed halide (ClBr) variants of antiperovskites and investigate their ionic conductivities in both powder and hot‐pressed forms. Hot pressing significantly enhances conductivity across all compositions, while energy‐dispersive X‐ray spectroscopy (EDS) of the mixed halide system reveals halide surface migration during densification. We further investigate the melt‐infiltration behavior of these electrolytes into substrates relevant to solid‐state battery architectures, including Al and Cu current collectors, conventional NMC and LFP cathodes, and a foamed NMC cathode with a highly porous architecture. The foamed cathode enables deep and uniform electrolyte penetration, highlighting the role of electrode architecture in facilitating melt infiltration. Across all substrates, electrolyte halide chemistry strongly influences wetting behavior, penetration depth, and resulting microstructural morphology. Together, these results establish clear processing–structure relationships for melt‐infiltrated antiperovskite solid electrolytes and demonstrate how electrolyte chemistry and electrode architecture govern interfacial morphology during integration, providing practical guidelines for processing and structural design in solid‐state battery systems.

antiperovskite↗

NASA NTRS1992

Creep deformation of B2 aluminides

The creep resistance and elevated temperature deformation mechanisms in CoAl, FeAl, and NiAl are reviewed. The stress and temperature dependencies of the steady state creep rate, the primary creep behavior, the dislocation substructure, and the response during transient tests are used as the main indicators of the deformation processes. In single phase intermetallics, the influence of grain size, stoichiometry, and solid solution hardening have been examined. In addition, the effect of adding dispersoids, precipitates, and other types of reinforcements to improve creep strength are compared.

Nathal, M. V.↗

NASA NTRS1995

Preparation Of Strong, Dense Potassium Beta''-Alumina Ceramic

Improved process for making mechanically strong, dense, phase-pure potassium beta''-alumina solid electrolyte (K-BASE) results in material superior to all previous K-BASE preparations and similar to commercial Na-BASE in strength, phase purity and high-temperature ionic conductivity. Potassium-based alkali-metal thermal-to-electric conversion (AMTEC) cells expected to operate efficiently at lower heat-input temperatures and lower rejection temperatures than sodium-based AMTEC cells, making them appropriate for somewhat different applications.

Williams, Roger M.↗

NASA NTRS1996

A Noncontact Measurement Technique for the Density and Thermal Expansion Coefficient of Solid and Liquid Materials

A noncontact measurement technique for the density and the thermal expansion refractory materials in their molten as well as solid phases is presented. This technique is based on the video image processing of a levitated sample. Experiments were performed using the high-temperature electrostatic levitator (HTESL) at the Jet Propulsion Laboratory in which 2-3 mm diameter samples can be levitated, melted, and radiatively cooled in a vacuum. Due to the axisymmetric nature of the molten samples when levitated in the HTESL, a rather simple digital image analysis can be employed to accurately measure the volumetric change as a function of temperature. Density and the thermal expansion coefficient measurements were made on a pure nickel sample to test the accuracy of the technique in the temperature range of 1045-1565 C. The result for the liquid phase density can be expressed by p = 8.848 + (6.730 x 10(exp -4)) x T (degC) g/cu cm within 0.8% accuracy, and the corresponding thermal expansion coefficient can be expressed by Beta=(9.419 x 10(exp -5)) - (7.165 x 10(exp -9) x T (degC)/K within 0.2% accuracy.

Chung, Sang K.↗

NASA NTRS1991

Creep Deformation of B2 Alumindes

Nathal, M. V.↗

NASA NTRS1988

Modeling of combustion processes of stick propellants via combined Eulerian-Lagrangian approach

This research is motivated by the improved ballistic performance of large-caliber guns using stick propellant charges. A comprehensive theoretical model for predicting the flame spreading, combustion, and grain deformation phenomena of long, unslotted stick propellants is presented. The formulation is based upon a combined Eulerian-Lagrangian approach to simulate special characteristics of the two phase combustion process in a cartridge loaded with a bundle of sticks. The model considers five separate regions consisting of the internal perforation, the solid phase, the external interstitial gas phase, and two lumped parameter regions at either end of the stick bundle. For the external gas phase region, a set of transient one-dimensional fluid-dynamic equations using the Eulerian approach is obtained; governing equations for the stick propellants are formulated using the Lagrangian approach. The motion of a representative stick is derived by considering the forces acting on the entire propellant stick. The instantaneous temperature and stress fields in the stick propellant are modeled by considering the transient axisymmetric heat conduction equation and dynamic structural analysis.

Kuo, K. K.↗

NASA NTRS1992

The crystallization and crystalline properties of LARC-TPI

LARC-TPI, a thermoplastic polyimide, has been studied in order to develop an understanding of its crystalline phase transition. Our experiments suggest that samples synthesized in different laboratories apparently had different degrees of imidization and their thermal behaviors differed accordingly. When the most crystalline of these polyimides was studied in some detail, we found that it melted irreversibly in that once a sample was completely melted it would not recrystallize. A polymer that did not recrystallize displayed a glass transition, which increased in temperature upon subsequent cooling and reheating. Solubility experiments indicated that heating above the crystalline melting temperature led to network formation in the polymer, a conclusion that is consistent with other behavior just mentioned. Differential calorimetric studies revealed that annealing at slow heating rates or under isothermal conditions resulted in dual melting transitions. These studies, supported by X-ray diffraction results, strongly indicate that the annealing process involves a solid-liquid-solid transformation. From an existing phenomenological model for the kinetics of phase transitions, kinetic parameters for these crystallizations have been evaluated. The Avrami exponents n increased with the annealing temperature in the protocol used in this study. Their values were about 2 or lower, thus indicating that crystallization may have followed a mechanism that included heterogeneous nucleation of a low dimensional order in which all the embryonic crystallites formed at the beginning of the process. A positive temperature coefficient for these crystallizations indicated that diffusion may have had a rate controlling influence and affected the values of n.

Theil, Michael H.↗

NASA NTRS1993

A finite element analysis of the freeze/thaw behavior of external artery heat pipes

A two-dimensional finite element model was used to determine the freeze/thaw characteristics of an external artery heat pipe. During startup, the working fluid, which was located in the liquid channel and the circumferential wall grooves, experienced a phase transformation from a solid to a liquid state. The transient heat conduction equations with moving interfacial conditions were solved using the appropriate initial boundary conditions. The modelling results include the cross-sectional temperature distribution and the interfacial or melt front position as a function of time. A fixed grid approach was adopted in the model for the phase-change process during thawing of frozen working fluid. The interfacial position between the liquid and solid regions was found by balancing the latent heat caused by interfacial movement with the heat addition or extraction at the related grid points.

Lu, X. J.↗

DOE OSTI2026

Modeling light signals using data from the first pulsed neutron source program at the DUNE vertical drift ColdBox test facility at the CERN Neutrino Platform

In this paper, we present a first quantitative test of detected light signals produced in a pulsed neutron source run in a small vertical drift LArTPC at the CERN Neutrino Platform ColdBox test facility. The ColdBox cryostat, detectors, neutron sources, and particle interactions are modeled and simulated using Fluka. We demonstrate the ability to identify the contribution from neutron interactions using X-ARAPUCA photodetectors, and show first comparisons of data to simulation, which indicate reasonable agreement. A time constant is also fitted from the neutron-beam-off light signal spectrum and found consistent between data and simulation. Several important systematic effects are discussed and serve as guides for future runs at larger LArTPCs.

Detector modelling and simulations I (interaction ↗

NASA NTRS2008

Enigmatic Isovaline: Investigating the Stability, Racemization, and Formation of a Non-biological Meteoritic Amino Acid

Among the Murchison meteoritic amino acids, isovaline stands out as being both nonbiological (non-protein) and having a relatively high abundance. While approximately equal amounts of D- and L-isovaline have been reported in Murchison and other CM meteorites, the molecule's structure appears to prohibit its racemization in aqueous solutions. We recently have investigated the low-temperature solid-phase chemistry of both isovaline and valine with an eye toward each molecule's formation, stability, and possible interconversions of D and L enantiomers. Ion-irradiated isovaline- and valinecontaining ices were examined by IR spectroscopy and highly-sensitive liquid chromatography/time-of-flight mass spectral methods to assess both amino acid destruction and racemization. Samples were studied in the presence and in the absence of water-ice, and the destruction of both isovaline and valine was measured as a function of radiation dose. In addition, we have undertaken experiments to synthesize isovaline, valine, and their amino acid isomers by solid-phase radiation-chemical pathways other than the oft-invoked Strecker process. This presentation will review and summarize some of our recent findings. -- Our work has been supported by a grant to the Goddard Center for Astrobiology through the NASA Astrobiology Institute. Experiments were performed in the Cosmic Ice Laboratory (RLH, MHM, AL) and the Astrobiology Analytical Laboratory (JPD, DPG) at the NASA Goddard Space Flight Center.

Hudson, Reggie↗

NASA NTRSDate not supplied

Numerical Simulation of No Vent Chill and Fill of a Large Liquid Hydrogen Tank

On orbit transfer of cryogenic liquids is necessary for many future space missions. The techniques required to transfer cryogens in micro gravity are quite different from ground system applications. In normal gravity, cryogenic tanks are usually filled from the bottom at nearly atmospheric pressure. The vapor generated due to heat transfer from warm tank walls, is allowed to vent from the top of the tank while the tank is being filled. If the normal gravity technique is used on orbit, the uncertainty of liquid and vapor distributions in unsettled condition may result in dumping of large amounts of liquid propellant overboard. The Vented Chill and No Vent Fill (VCNVF) process is a methodology [1] used to reduce propellant loss by holding the vent valve open during initial wall chilldown, preventing over-pressurization of the tank and stalling of the incoming flow, but closing the tank vent valve after chilling the tank wall sufficiently. An accurate simulation of no vent tank chill and fill is necessary to estimate the amount of propellant necessary to chill the tank, determine the maximum sustainable flowrate to fill the tank without stalling, and establish a timeline for the filling process. Numerical modeling of filling a cryogenic tank is complex because the flow is two-phase and the process involves both boiling and condensation with heat transfer between solid and fluid. In recent years, progress has been made to develop a numerical modeling technique [2,3,4] that has been verified by comparing with the test data from a small flight tank using liquid nitrogen [5]. The purpose of the present paper is to apply this technique in a larger tank with liquid hydrogen and compare with the test data of Chato [1]. The K-site Test Facility [1], shown in Figure 1, consists of a Test Tank, spray system, instrumentation, and the vacuum chamber. The test tank selected was ellipsoidal with an 87 inch major diameter and a 1.2 to 1 major to minor axis ratio. The two ends are joined by a short 1.5 inch cylindrical section. The tank is made of 2219 aluminum chemically milled to a nominal thickness of 0.087 inches. The tank weighs 329.25 pounds, and the tank volume is 175 ft 3 . The GFSSP model of the Test Tank is shown in Figure 2. Node 13 is a boundary node that represents the supply tank which is supplying liquid hydrogen at a given pressure and temperature. The total measured flowrate is evenly distributed through Branches 131 through 139. Nodes 1 through 9 represent the test tank and they are connected with metal solid nodes 14 through 22 through fluid-to-solid conductors that allow convective heat transfer between the solid and fluid nodes. The predicted tank pressure, filling rate, wall temperature and fluid temperature will be compared with test data.

Alok Majumdar↗