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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Low-cost, Highly Efficient and Fast Thermally Pressed Scalable Carbon-based Planar Perovskite Solar Cells

This Final Technical Report summarizes work completed under Award Number DEEE0009833, titled "Low-cost, Highly Efficient and Fast Thermally Pressed Scalable Carbon-based Planar Perovskite Solar Cells." The project addressed the central technical problem that carbon-electrode perovskite solar cells (C-PSCs) can reduce electrode costs and improve environmental durability, but they have historically lagged noble-metalcontact devices due to poor carbon/perovskite contact, high carbon-electrode resistance, imperfect hole extraction, and insufficient operational stability. The Statement of Project Objectives (SOPO), therefore, required systematic engineering of thermally pressed carbon-based planar perovskite solar cells by improving the carbon/perovskite interface quality, improving carbon-electrode conductivity, and further increasing device stability. The work advanced understanding of carbon-based perovskite photovoltaics by connecting device performance to three coupled mechanisms: interfacial recombination at the perovskite/hole-transport-layer/carbon stack; lateral and vertical transport losses in carbon contacts; and instability driven by moisture, heat, illumination, ion migration, and slow/variable manufacturing steps.

14 SOLAR ENERGY↗
DOE OSTI2025

A Finite Element Method for Compressible and Turbulent Multiphase Flow Instabilities with Heat Transfer

We present a new finite element framework for modeling compressible, turbulent multiphase flows with heat transfer. For two-fluid systems with a free surface, the Volume of Fluid (VOF) method is implemented without the need for interface reconstruction, while turbulence is resolved using a dynamic Vreman large eddy simulation (LES) model. Unlike most two-phase VOF studies, which neglect heat transfer, the present approach incorporates energy transport equations within the VOF formulation to account for heat exchange, an effect particularly important in turbulent flows. Conjugate heat transfer is often challenging in finite volume methods, which require explicit specification of heat fluxes at the solid–fluid interface, limiting accuracy and predictive capability. By contrast, the finite element formulation does not require heat flux inputs, allowing more accurate and robust simulation of heat transfer between solids and fluids. The method is demonstrated through three representative cases. First, a two-fluid instability with a single-mode perturbation is simulated and validated against analytical growth rates. Second, conjugate heat transfer is examined in a high-temperature flow over a cold metal cylinder, with validation performed both quantitatively—via pressure coefficient comparisons with experimental data—and qualitatively using vector field topology. Finally, compressible spray injection and breakup are modeled, demonstrating the ability of the framework to capture interfacial dynamics and atomization under turbulent, high-speed conditions. In the compressible spray injection and breakup case, the results indicate that the finite element formulation achieved higher predictive accuracy and robustness than the finite-volume method. With the same mesh resolution, the FEM reduced the root mean square error (RMSE) and mean absolute percentage error (MAPE) from 6.96 mm and 26.0% (for the FVM) to 4.85 mm and 12.7%, respectively, demonstrating improved accuracy and robustness in capturing interfacial dynamics and heat transfer. The study also introduced vector field topology to visualize and interpret coherent flow structures and instabilities, offering insights beyond conventional scalar-field analyses.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1991

Silicon dioxide with a silicon interfacial layer as an insulating gate for highly stable indium phosphide metal-insulator-semiconductor field effect transistors

A novel gate insulator consisting of silicon dioxide (SiO2) with a thin silicon (Si) interfacial layer has been investigated for high-power microwave indium phosphide (InP) metal-insulator-semiconductor field effect transistors (MISFETs). The role of the silicon interfacial layer on the chemical nature of the SiO2/Si/InP interface was studied by high-resolution X-ray photoelectron spectroscopy. The results indicated that the silicon interfacial layer reacted with the native oxide at the InP surface, thus producing silicon dioxide, while reducing the native oxide which has been shown to be responsible for the instabilities in InP MISFETs. While a 1.2-V hysteresis was present in the capacitance-voltage (C-V) curve of the MIS capacitors with silicon dioxide, less than 0.1 V hysteresis was observed in the C-V curve of the capacitors with the silicon interfacial layer incorporated in the insulator. InP MISFETs fabricated with the silicon dioxide in combination with the silicon interfacial layer exhibited excellent stability with drain current drift of less than 3 percent in 10,000 sec, as compared to 15-18 percent drift in 10,000 sec for devices without the silicon interfacial layer. High-power microwave InP MISFETs with Si/SiO2 gate insulators resulted in an output power density of 1.75 W/mm gate width at 9.7 GHz, with an associated power gain of 2.5 dB and 24 percent power added efficiency.

Kapoor, V. J.↗
DOE OSTI2025

An Oxygen‐Scavenger Sulfide Coating Enabling Long‐Term Stable Nickel‐Rich Cathodes

Oxygen release is a major issue associated with layer-structured metal oxide cathodes in lithium batteries, which can further cause a series of problems, such as irreversible phase transition, microcracking, and electrolyte decomposition. Eventually, these issues jointly result in cell performance degradation and safety hazards. Thus, it is very significant to tackle oxygen release for achieving long-term stable cyclability, but very challenging. Although intensive efforts have been invested to date, there still lacks a feasible solution. In this study, nanoscale ZrS 2 coatings are applied on prefabricated LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811) cathodes directly via atomic layer deposition (ALD). Very encouragingly, we reveal that this ALD-deposited conformal ZrS 2 nanocoating can serve as an exceptional oxygen scavenger and then convert into a stable sulfate (Zr(SO 4 ) 2 ) coating. Such an in situ conversion is very beneficial and effective for protecting the electrolyte from decomposition. In addition, the resultant Zr(SO 4 ) 2 coating further inhibits undesirable reactions, stabilizes the interface between NMC811 and the electrolyte, suppresses microcracking, mitigates transition metal dissolution, and maintains the structural stability of the NMC811 cathode. Consequently, the ZrS 2 -coated NMC811 cathode has demonstrated extraordinary performance. Thus, this study advances the understanding of interface engineering while paving a new technical pathway for commercializing NMC811 cathodes.

Nickel-rich cathodes↗
NASA NTRS1999

A Real Time Investigation of Morphological Evolution During Solidification of Different Alloy Systems

Solidification phenomenon which occur at the solid/liquid (s/I) interface play a major role in the determination of structure and hence the technologically important properties of a casting. However, metals being opaque, conclusions related to several important phenomenon such as boundary layer thickness, morphological evolution, and eutectic and cell spacing are deduced from quenching experiments and subsequent post solidification metallographic analysis. Consequently, limited information is obtained about the dynamics of the process. This paper will discuss the recent efforts at the Space Science Laboratory, NASA Marshall Space Flight Center, to view and quantify in-situ and in real time the dynamics of the solidification process and to measure interfacial undercooling. First, a high resolution x-ray transmission microscope (XTM) has been developed to monitor fundamental interfacial phenomena during directional solidification of metals and alloys. The XTM operates in the range of 10-100 KeV and through projection is capable of achieving magnification of up to 16OX. Secondly, an innovative collapsible furnace has been designed to quantify interfacial undercooling by measuring the temperature of a moving s/I interface in reference to a fixed s/l interface. This measurement technique is non-intrusive in nature and is based on the Seebeck principle. In this paper real time results obtained to characterize the dynamics of irregular eutectic spacing will be presented. As an example fiber to lamella or plate transition in the Al-Al2Au eutectic system will be discussed. Further, a resolution limit of 25 micron has permitted viewing in real time morphological instability and cellular growth in Al-Au and Al-Ag systems. Simultaneously, a systematic investigation has been carried out to measure interfacial undercooling for Pb-1 wt.% Sn at and near the marginal stability regime. In conjunction with the XTM observations this study attempts to validate existing relationships between undercooling and growth velocity during plane front growth, marginal stability regime, and stable cellular growth.

Sen, S.↗
DOE OSTI2020

Atomic-scale constituting stable interface for improved LiNi 0.6 Mn 0.2 Co 0.2 O 2 cathodes of lithium-ion batteries

Ascribed to their higher capacity and lower cost compared to conventional LiCoO 2 , the Ni-rich layered LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622) is now considered as one promising cathode for lithium-ion batteries (LIBs). However, it still suffers from some evident performance degradation, especially under high cutoff voltages (i.e., >4.3 V versus Li/Li + ). The performance degradation typically is exhibited as capacity fading and voltage drop, mainly originating from an instable interface between the NMC622 and electrolyte as well as the evolution of the NMC structure. To improve the interfacial and structural stability of NMC cathodes, herein we deposited an ultrathin layer of Al 2 O 3 coatings (<5 nm) conformally over NMC622 composite electrodes directly using atomic layer deposition (ALD). It was found that, under different upper cutoff voltages (4.3, 4.5, and 4.7 V), the ALD Al 2 O 3 coatings enable enhanced performance of NMC622 cathodes with better cyclability and higher capacity. Particularly, the beneficial effects of the ALD Al 2 O 3 coatings are more remarkable at higher upper cutoff voltages (4.5 and 4.7 V). Furthermore, the ALD coatings can significantly improve the rate capability of NMC622. To this end, we utilized a suite of characterization tools and performed a series of electrochemical tests to clarify the effects of the ALD Al 2 O 3 coatings. This study revealed that the beneficial effects of the Al 2 O 3 ALD coatings are multiple: (i) serving as an artificial layer of solid electrolyte interphase to mitigate undesirable interfacial reactions; (ii) acting as a physical barrier to inhibit metal dissolution of NMC; and (iii) forming a reinforced networked overcoating to boost the mechanical integrity of NMC cathodes. This study is favorable for designing high-performance NMC cathodes.

25 ENERGY STORAGE↗
NASA NTRS1990

Interfacial wave theory of dendrite growth - Global mode solution and quantum condition

The signal feedback process at the edge of the dendrite tip is investigated, and the global instability mechanism of the system is derived. A mechanism is developed to describe a discrete set of unstable global modes for the system. Called WEASR, the method considers the wave emission at the turning point and signal reflections between the turning point and the front edge of the tip. It is shown that the method can obtain the asymptotic solutions for the unstable global modes and the quantum condition for the corresponding eigenvalues. A turning point called the pattern formation condition is shown to be crucial in the formation of dendritic structure and the choice of the final tip velocity. The wave emission process is outlined, and the importance of a signal feedback process at the edge of the dendrite tip is demonstrated. Parameters such as stability and surface tension can be analyzed in terms of their effects on WEASR modes.

Xu, Jian-Jun↗
NASA NTRS1997

Unsteady Crystal Growth Due to Step-Bunch Cascading

Based on our experimental findings of growth rate fluctuations during the crystallization of the protein lysozym, we have developed a numerical model that combines diffusion in the bulk of a solution with diffusive transport to microscopic growth steps that propagate on a finite crystal facet. Nonlinearities in layer growth kinetics arising from step interaction by bulk and surface diffusion, and from step generation by surface nucleation, are taken into account. On evaluation of the model with properties characteristic for the solute transport, and the generation and propagation of steps in the lysozyme system, growth rate fluctuations of the same magnitude and characteristic time, as in the experiments, are obtained. The fluctuation time scale is large compared to that of step generation. Variations of the governing parameters of the model reveal that both the nonlinearity in step kinetics and mixed transport-kinetics control of the crystallization process are necessary conditions for the fluctuations. On a microscopic scale, the fluctuations are associated with a morphological instability of the vicinal face, in which a step bunch triggers a cascade of new step bunches through the microscopic interfacial supersaturation distribution.

Vekilov, Peter G.↗
NASA NTRS2000

Onset of Convection Due to Surface Tension Variations in Multicomponent and Binary Fluid Layers

Under certain conditions, such as in thin liquid films or microgravity, surface tension variations along a free surface can induce convection. Convection onset due to surface tension variation is important to many terrestrial technological processes in addition to microgravity materials processing applications. Examples include coating, drying crystallization, solidification, liquid surface contamination, and containerless processing. In double-diffusive and multicomponent systems, the spatial variations of surface tension are associated with two or more stratifying agencies, respectively. For example, both temperature and species (concentration) gradients are associated with convection in the solidification of binary alloys or salt ponds. The direction of the two (or more) gradients has a profound effect on the nature of the flow at or slightly beyond the onset of convection. Our recent work at the NASA Lewis Research Center focused on characterizing surface-tension-induced onset of convection, often referred to as Marangoni-Benard convection. Exact solutions for the stationary neutral stability of multicomponent fluid layers with interfacial deformation were derived. These solutions also permit the computation of a boundary curve that separates the long and finite wavelength instabilities. Computing points along this boundary using the exact solution (when possible) is more efficient than the typical numerical approaches, such as finite difference or spectral methods. Above the curve, a long wavelength instability was predicted, suggesting that convection would occur principally through one large flow cell in the layer, whereas below the curve, finite wavelength instabilities occur which suggest multiple finite-sized circulation cells. For many common liquids with layer depths greater than 100 mm, finite wave instability is predicted under terrestrial conditions; however, with little exception, long wavelength instability is predicted in microgravity for the identical fluid systems.

Skarda, J. Raymond Lee↗
DOE OSTI2025

Conformally coated scaffold design using water-tolerant Pr 1.8 Ba 0.2 NiO 4.1 for protonic ceramic electrochemical cells with 5,000-h electrolysis stability

Protonic ceramic electrochemical cells (PCECs) have potential as long-duration energy storage systems. However, their operational stability is limited under industrially relevant conditions due to the intrinsic chemical instability of doped barium cerate-based electrolytes and oxygen electrodes against H 2 O, as well as the poor electrode–electrolyte interfacial contact. Here, in this study, we present a conformally coated scaffold (CCS) design to comprehensively address these issues. A porous proton-conducting scaffold is constructed and conformally coated with Pr 1.8 Ba 0.2 NiO 4.1 electrocatalyst, which has high chemical stability against H 2 O, triple conductivity and hydration capability, and protects vulnerable electrolytes from H 2 O. The CCS structure consolidates the electrode–electrolyte interfacial bonding to enable fast proton transfer in the percolated network. This design enables PCECs to reach electrolysis stability for 5,000 h at −1.5 A cm−2 and 600 °C in 40% H 2 O. This work provides a general strategy to stabilize PCECs and offers guidance for designing resilient and stable solid-state energy storage systems.

Protonic ceramic electrochemical cell↗
NASA NTRS1976

Interlaminar stresses in composite laminates: A perturbation analysis

A general method of solution for an elastic balanced symmetric composite laminate subject to a uniaxial extension was developed based upon a perturbation analysis of a limiting free body containing an interfacial plane. The solution satisfies more physical requirements and boundary conditions than previous investigations, and predicts smooth continuous interlaminar stresses with no instabilities. It determines the finite maximum intensity for the interlaminar normal stress in all laminates, provides mathematical evidences for the singular stresses in angle-ply laminates, suggests the need for the experimental determination of an important problem parameter, and introduces a viable means for solving related problems of practical interest.

Hsu, P. W.↗
DOE OSTI2023

Ultrathin stable Ohmic contacts for high-temperature operation of β -Ga2O3 devices

Beta gallium oxide (β-Ga2O3) shows significant promise in high-temperature, high-power, and sensing electronics applications. However, long-term stable metallization layers for Ohmic contacts at high temperatures present unique thermodynamic challenges. The current most common Ohmic contact design based on 20 nm of Ti has been repeatedly demonstrated to fail at even moderately elevated temperatures (300–400 °C) due to a combination of nonstoichiometric Ti/Ga2O3 interfacial reactions and kinetically favored Ti diffusion processes. Here, we demonstrate stable Ohmic contacts for Ga2O3 devices operating up to 500–600 °C using ultrathin Ti layers with a self-limiting interfacial reaction. The ultrathin Ti layer in the 5 nm Ti/100 nm Au contact stack is designed to fully oxidize while forming an Ohmic contact, thereby limiting both thermodynamic and kinetic instability. This novel contact design strategy results in an epitaxial conductive anatase titanium oxide interface layer that enables low-resistance Ohmic contacts that are stable both under long-term continuous operation (>500 h) at 600 °C in vacuum (≤10−4 Torr), as well as after repeated thermal cycling (15 times) between room temperature and 550 °C in flowing N2. This stable Ohmic contact design will accelerate the development of high-temperature devices by enabling research focus to shift toward rectifying interfaces and other interfacial layers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Spectroelectrochemical insights into the intrinsic nature of lead halide perovskites

Abstract Lead halide perovskites have emerged as a new class of semiconductor materials with exceptional optoelectronic properties, sparking significant research interest in photovoltaics and light-emitting diodes. However, achieving long-term operational stability remains a critical hurdle. The soft, ionic nature of the halide perovskite lattice renders them vulnerable to various instabilities. These instabilities can be triggered by factors such as photoexcitation, electrical bias, and the surrounding electrolyte/solvent or atmosphere under operating conditions. Spectroelectrochemistry offers a powerful approach to bridge the gap between electrochemistry and photochemistry (or spectroscopy), by providing a comprehensive understanding of the band structure and excited-state dynamics of halide perovskites. This review summarizes recent advances that highlight the fundamental principles, the electronic band structure of halide perovskite materials, and the photoelectrochemical phenomena observed upon photo- and electro-chemical charge injections. Further, we discuss halide instability, encompassing halide oxidation, vacancy formation, ion migration, degradation, and sequential expulsion under electrical bias. Spectroelectrochemical studies that provide a deeper understanding of interfacial processes and halide mobility can pave the way for the design of more robust perovskites, accelerating future research and development efforts. Graphical Abstract

Min, Seonhong↗
DOE OSTI2023

High Sulfur Loading and Capacity Retention in Bilayer Garnet Sulfurized‐Polyacrylonitrile/Lithium‐Metal Batteries with Gel Polymer Electrolytes

The cubic‐garnet (Li 7 La 3 Zr 2 O 12 , LLZO) lithium–sulfur battery shows great promise in the pursuit of achieving high energy densities. The sulfur used in the cathodes is abundant, inexpensive, and possesses high specific capacity. In addition, LLZO displays excellent chemical stability with Li metal; however, the instabilities in the sulfur cathode/LLZO interface can lead to performance degradation that limits the development of these batteries. Therefore, it is critical to resolve these interfacial challenges to achieve stable cycling. Here, an innovative gel polymer buffer layer to stabilize the sulfur cathode/LLZO interface is created. Employing a thin bilayer LLZO (dense/porous) architecture as a solid electrolyte and significantly high sulfur loading of 5.2 mg cm −2 , stable cycling is achieved with a high initial discharge capacity of 1542 mAh g −1 (discharge current density of 0.87 mA cm −2 ) and an average discharge capacity of 1218 mAh g −1 (discharge current density of 1.74 mA cm −2 ) with 80% capacity retention over 265 cycles, at room temperature (22 °C) and without applied pressure. Achieving such stability with high sulfur loading is a major step in the development of potentially commercial garnet lithium–sulfur batteries.

25 ENERGY STORAGE↗
DOE OSTI2022

What Is the Smallest Zeolite That Could Be Synthesized?**

Abstract Zeolites with a few unit cells are promising as catalyst and adsorbents. The quest to synthesize the smallest zeolites has recently resulted in 4 to 8 nm nanozeolites, about 2 to 4 unit cells. These findings pose the question of what is the smallest zeolite that could be obtained by hydrothermal synthesis. Here we address this question using molecular simulations and thermodynamic analysis. The simulations predict that amorphous precursors as small as 4 nm can crystallize zeolites, in agreement with the experiments. We find that interfacial forces dominate the structure of smaller particles, resulting in size‐dependent compact isomers that have ring and pore distributions different from open framework zeolites. The instability of zeolites smaller than 3±0.5 nm precludes a classical mechanism of nucleation from solution or through assembly of small nanoslabs.

Dhabal, Debdas↗
DOE OSTI2022

What Is the Smallest Zeolite That Could Be Synthesized?**

Zeolites with a few unit cells are promising as catalyst and adsorbents. The quest to synthesize the smallest zeolites has recently resulted in 4 to 8 nm nanozeolites, about 2 to 4 unit cells. These findings pose the question of what is the smallest zeolite that could be obtained by hydrothermal synthesis. We address this question using molecular simulations and thermodynamic analysis. The simulations predict that amorphous precursors as small as 4 nm can crystallize zeolites, in agreement with the experiments. We find that interfacial forces dominate the structure of smaller particles, resulting in size-dependent compact isomers that have ring and pore distributions different from open framework zeolites. The instability of zeolites smaller than 3±0.5 nm precludes a classical mechanism of nucleation from solution or through assembly of small nanoslabs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1999

Absolute and Convective Instability of a Liquid Jet

The existence of absolute instability in a liquid jet has been predicted for some time. The disturbance grows in time and propagates both upstream and downstream in an absolutely unstable liquid jet. The image of absolute instability is captured in the NASA 2.2 sec drop tower and reported here. The transition from convective to absolute instability is observed experimentally. The experimental results are compared with the theoretical predictions on the transition Weber number as functions of the Reynolds number. The role of interfacial shear relative to all other relevant forces which cause the onset of jet breakup is explained.

Lin, S. P.↗
NASA NTRS1990

Morphological instability in a float zone

This paper examines the morphological instability of the freezing interface of the float zone in a crystal sheet for which the height of the liquid zone L = Lf + Lm (where Lf and Lm are the planar positions of the solidifying and melting interfaces) is smaller than the width and the thickness of the sheet. The Lf and Lm positions are calculated, and basic state concentration profiles are determined for a planar interfacial system. A linear stability analysis of this system is performed showing that the growth rate of disturbances is a modified version of the growth rate for a directional solidification system. It was found that shorter melt zone configurations are less susceptible to long wavelength morphological instability, indicating that, to suppress morphological instability in a float zone system, it is necessary to decrease the liquid zone height.

Humphreys, Laura B.↗