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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Revealing core-valence interactions in solution with femtosecond X-ray pump X-ray probe spectroscopy

Abstract Femtosecond pump-probe spectroscopy using ultrafast optical and infrared pulses has become an essential tool to discover and understand complex electronic and structural dynamics in solvated molecular, biological, and material systems. Here we report the experimental realization of an ultrafast two-color X-ray pump X-ray probe transient absorption experiment performed in solution. A 10 fs X-ray pump pulse creates a localized excitation by removing a 1 s electron from an Fe atom in solvated ferro- and ferricyanide complexes. Following the ensuing Auger–Meitner cascade, the second X-ray pulse probes the Fe 1 s → 3 p transitions in resultant novel core-excited electronic states. Careful comparison of the experimental spectra with theory, extracts +2 eV shifts in transition energies per valence hole, providing insight into correlated interactions of valence 3 d with 3 p and deeper-lying electrons. Such information is essential for accurate modeling and predictive synthesis of transition metal complexes relevant for applications ranging from catalysis to information storage technology. This study demonstrates the experimental realization of the scientific opportunities possible with the continued development of multicolor multi-pulse X-ray spectroscopy to study electronic correlations in complex condensed phase systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Correlation between infrared spectra features and coverage of different adsorption sites for the NO/Pd(111) system

This study investigates the adsorption of nitric oxide (NO) on Pd(111) surfaces at 200 K using infrared reflection absorption spectroscopy (IRRAS). Peak positions and areas are used as proxies for tracking coverage of different species, serving as groundwork for in-situ experiments that need real-time tracking of surface species. Here, we derived a mathematical model correlating NO coverage with dose, consistent with the Molecular Langmuir Model. Distinct correlations are observed between coverage and spectral features (peak position and peak area for the NO vibration): at lower coverages (θ<0.6), the total integrated peak areas are linearly corelated to coverage; at higher coverages (θ>0.6), the peak center for a compressed-hollow site becomes the primary coverage indicator, showing a linear relationship between wavenumber and coverage. Note that this study addresses coverages below saturation. These findings refine our understanding of NO adsorption and establish a foundation for real-time in situ transient kinetics studies of chemical reactions involving NO on Pd(111).

25 ENERGY STORAGE↗
DOE OSTI2021

Galvanostatic Intermittent Titration Technique Reinvented: Part I. A Critical Review

The galvanostatic intermittent titration technique (GITT), introduced in 1977 by Weppner and Huggins, provided a readily accessible means to measuring the chemical diffusion coefficient of electrochemical electrode materials. The method continues to be widely used today, but the reported diffusivity values are highly inconsistent, ranging as much as four orders of magnitude for some Li layered oxide compositions. Even qualitative trends of diffusivity are inconsistent, suggesting significant flaws in the implementation of the method. Other variants of the GITT method also suffer from similar inconsistency problems. Here we identify numerous sources of significant error including composition-dependent reaction overpotentials, mathematical flaws in the relaxation analysis methods, finite-size and non-planar geometry effects, inter-particle inhomogeneity issues, early transient effects, and surface area uncertainties. We propose a simple relaxation analysis scheme using the time variable t relax + τ - t relax , where t relax is relaxation time and τ is the galvanostatic pulse duration. We also propose to use dense diffusion-limited samples to isolate the bulk-diffusion process in the time domain. Chemical diffusivity can be extracted much more reliably with this improved implementation of the GITT method.

25 ENERGY STORAGE↗
DOE OSTI2022

Topology optimization for the design of porous electrodes

Porous electrodes are an integral part of many electrochemical devices since they have high porosity to maximize electrochemical transport and high surface area to maximize activity. Traditional porous electrode materials are typically homogeneous, stochastic collections of small-scale particles and offer few opportunities to engineer higher performance. Fortunately, recent breakthroughs in advanced and additive manufacturing are yielding new methods to structure and pattern porous electrodes across length scales. These architected electrodes are emerging as a promising new technology to continue to drive improvement; however, it is still unclear which structures to employ and few tools are available to guide their design. Here we address this gap by applying topology optimization to the design of porous electrodes. We demonstrate our framework on two applications: a porous electrode driving a steady Faradaic reaction and a transiently operated electrode in a supercapacitor. We present computationally designed electrodes that minimize energy losses in a half-cell. For low-conductivity materials, the optimization algorithm creates electrode designs with a hierarchy of length scales. Further, the designed electrodes are found to outperform undesigned, homogeneous electrodes. Finally, we present three-dimensional porous electrode designs. We thus establish a topology optimization framework for designing porous electrodes.

25 ENERGY STORAGE↗
DOE OSTI2023

The phantom menace of dynamic soft-shorts in solid-state battery research

Solid-state batteries with lithium metal anodes present the highest energy density batteries for applications in electric vehicles, leading to massive R&D investments over the past decade. Although most research focuses on preventing lithium metal dendrites that eventually short the battery, the nature of these shorts remains elusive. Soft-shorts, in particular, receive little attention or are not recognized, even in published data. Here, in this study, we present a comprehensive outline of the detection and analysis of soft -shorts in solid-state lithium metal cells with composite polymer electrolytes as well as a fundamental understanding of the dynamics of soft -shorts. Transient un-shorting of soft -shorts that occurs on the micro-to-millisecond timescale-driven by joule heating, chemical reactivity, and other processes-limits one's ability to determine whether the cell was or is still shorted. We provide numerous experimental methods to detect and analyze soft-shorts in any battery type as a resource to all battery researchers.

25 ENERGY STORAGE↗
DOE OSTI2023

Severe Temperature Impact Study on Ferrite Electromagnetic Shielding for Wireless Electric Vehicle Charging

Wireless charging of an electric vehicle (EV) is an emerging technology that enables noncontact charging, which has advantages in terms of convenience and flexibility. However, the embedded charging pads under and on the ground expose the charging coils, ferrite shielding, and related components to a potentially severe external environment. To study the electromagnetic shielding performance under such extreme temperature conditions, ferrite shielding material's permeability characteristics are tested under temperatures as low as -50°C to as high as 240°C. Referring to the official recorded lowest and highest temperature of the United States, in this paper, it is assumed that the operation temperature ranges from -50°C to 57°C as the coldest winter and hottest summer environment for WPT application. Electromagnetic performance, shielding, and associated stray magnetic emissions are simulated by using three-dimensional (3D) transient simulations to study the impact of low and high temperature on electromagnetic shielding performance. Based on ferrite testing data, from -50°C low temperature to 57°C high temperature, the ferrite's relative permeability ranges from 2550 to 3727. The simulation study indicates that there won't be significant impact on the EM shielding performance for WPT operated under those severe environment temperature conditions.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2008

Numerical Determination of Critical Conditions for Thermal Ignition

The determination of ignition or thermal explosion in an oxidizing porous body of material, as described by a dimensionless reaction-diffusion equation of the form .tu = .2u + .e-1/u over the bounded region O, is critically reexamined from a modern perspective using numerical methodologies. First, the classic stationary model is revisited to establish the proper reference frame for the steady-state solution space, and it is demonstrated how the resulting nonlinear two-point boundary value problem can be reexpressed as an initial value problem for a system of first-order differential equations, which may be readily solved using standard algorithms. Then, the numerical procedure is implemented and thoroughly validated against previous computational results based on sophisticated path-following techniques. Next, the transient nonstationary model is attacked, and the full nonlinear form of the reaction-diffusion equation, including a generalized convective boundary condition, is discretized and expressed as a system of linear algebraic equations. The numerical methodology is implemented as a computer algorithm, and validation computations are carried out as a prelude to a broad-ranging evaluation of the assembly problem and identification of the watershed critical initial temperature conditions for thermal ignition. This numerical methodology is then used as the basis for studying the relationship between the shape of the critical initial temperature distribution and the corresponding spatial moments of its energy content integral and an attempt to forge a fundamental conjecture governing this relation. Finally, the effects of dynamic boundary conditions on the classic storage problem are investigated and the groundwork is laid for the development of an approximate solution methodology based on adaptation of the standard stationary model.

Luo, W.↗
DOE OSTI2024

Experimental Operation of a Prototype 750C Advanced Chloride Molten Salt Bellows Valve

To achieve DOE 2030 SunShot targets that reduce the cost of liquid-based solar by an additional 40% to 70% beyond 2018 costs, a more reliable, highly manufacturable flow valve, capable of achieving operational temperatures of >700°C is required [1]. This paper investigates the development of an innovative high-temperature chloride molten salt valve, with operation up to 750°C. This valve is intended to be employed within Gen 3 CSP liquid-based thermal energy storage (TES) systems as well as Gen 4 modular salt reactor (MSR) technologies. This work details the general design and flow testing of a bellows-seal flow control valve (FCV). This design includes an integrated closed-loop thermal control system to ensure robust design for freeze-thaw cycles. The self-contained thermal management STM system, is unique in the salt valve industry since it is an integrated solution to provide a consistent, repeatable alternative to typical heat tracing. Additionally, the design includes the employment of a novel heat pipe valve stem to facilitate enhanced passive thermal management into the valve assembly. This valve stem heat pipe is designed to facilitate natural circulation within the bonnet to ensure robust operation, during both nominal and transient thermal operation. The valve body and trim will be designed using SS316H, consistent with Flowserve Corporation’s existing product base and is code qualified but will utilize clad material for materials corrosion, manufacturing cost reduction and compatibility to ensure design flexibility. A test campaign was performed in this investigation utilizing a novel 750°C ternary chloride (20%NaCl/40%MgCl2/40%KCl by mol. wt. %) molten salt flow loop. A discussion about the design and installation of the valves within this test bed is provided for this investigation. Valve test results from this study assessed Cv curves as well as multiple actuator cycles, under varying thermodynamic and operational mode conditions, which would be characteristic within a commercial molten salt facility. The results indicate nominal operation for the baseline design, though improved performance and reliability is expected with the full designed FCV.

Armijo, Kenneth (ORCID:0000000346832147)↗
NASA NTRS1995

Waveform Based Acoustic Emission Detection and Location of Matrix Cracking in Composites

The operation of damage mechanisms in a material or structure under load produces transient acoustic waves. These acoustic waves are known as acoustic emission (AE). In composites they can be caused by a variety of sources including matrix cracking, fiber breakage, and delamination. AE signals can be detected and analyzed to determine the location of the acoustic source by triangulation. Attempts are also made to analyze the signals to determine the type and severity of the damage mechanism. AE monitoring has been widely used for both laboratory studies of materials, and for testing the integrity of structures in the field. In this work, an advanced, waveform based AE system was used in a study of transverse matrix cracking in cross-ply graphite/epoxy laminates. This AE system featured broad band, high fidelity sensors, and high capture rate digital acquisition and storage of acoustic signals. In addition, analysis techniques based on plate wave propagation models were employed. These features provided superior source location and noise rejection capabilities.

Prosser, W. H.↗
DOE OSTI2026

From atomistic models to machine learning: Predictive design of nanocarbons under extreme conditions

The formation of technologically valuable nanocarbon structures under extreme conditions, such as those produced during high-explosive detonations, remains poorly understood but holds significant potential for the development of controlled synthesis pathways. While detonation shockwaves provide the high-pressure, high-temperature environment required for nanodiamond formation, subsequent cooling and decompression dictate whether the diamond phase is preserved or transformed into other nanocarbon structures. Here, in this study, we employ GPU-accelerated reactive molecular dynamics (ReaxFF) simulations to investigate the graphitization and structural remodeling of detonation nanodiamond under nonlinear quench and pressure-release trajectories. We further investigate how the initial nanodiamond morphology; cuboctahedral, octahedral, or hexagonal prism influences the resulting transformation products. Evolution of nanostructure, allotrope (via simulated x-ray diffraction), carbon hybridization, and ring statistics are tracked during a two-stage quench from 5000 K to 60 GPa. Rapid cooling combined with slow decompression optimizes cubic diamond retention, whereas slow cooling with rapid pressure release promotes surface-to-core graphitization, producing concentric sp 2 -hybridized layers and hollowed inner shells. Octahedral nanodiamonds evolve into carbon nano-onions, initially forming bucky diamonds that progressively transform into fully sp 2 -hybridized structures, while hexagonal prisms preferentially form parallel-stacked graphite layers resembling carbon dots. Transient hexagonal diamond (lonsdaleite) emerges as an interfacial phase, suggesting potential reversibility in the shock-induced graphite-to-diamond transformation pathway transformation route. To extend predictive capabilities, we trained machine learning (ML) regressors on over 10 5 node-hours of molecular dynamics (MD) trajectories. A multilayer perceptron (MLP) model reliably predicts the number of graphitized layers from temperature–pressure trajectories with a coefficient of determination (R 2 ) exceeding 0.90. This high predictive fidelity enables efficient, high-throughput mapping of the synthesis parameter space for optimized graphitization outcomes. Collectively, morphological control combined with optimized quench–decompression conditions promote the selective synthesis of nanocarbon allotropes. This work establishes a data-driven framework for the rational, a priori design of carbon nanomaterials for applications in energy storage, sensing, and biomedicine.

Detonation nanodiamond remodeling↗
NASA NTRS2023

Simulations of Zero Boiloff, Densification, and Solidification in a Large-Scale Liquid Hydrogen Tank

The current research utilizes an Energy of Fluid (EOF) approach to develop a finite volume-based Computation Fluid Dynamic (CFD) model to create a benchmark simulation of the densification of liquid hydrogen (LH2) in an experimental Integrated Refrigeration and Storage (IRAS) tank at the Kennedy Space Center (KSC). The computational code will incorporate the FLUENT pressure-based model with User Defined Functions (UDF) to implement the EOF model. The enhanced model will solve the energy equation in terms of internal energy and provide temperature and pressure calculations for a given tank geometry. Specifically, a convection term will be added to an already existing code for a more accurate simulation of LH2 densification. However, currently the research focuses on utilizing User Defined Scalars (UDS) with FLUENT to show the built-in solvers are as accurate as the written UDS. This will reduce the computational time down significantly by utilizing an already built in solver for the momentum equation. A custom UDF has been written to solve transient and steady state conduction, and results obtained using the UDF agree with results obtained using the built-in FLUENT solver. Currently, a convection UDF is being added and will be verified using known solutions for solidification and validated with the experimental results from the Cryogenics Test Laboratory (CTL) at KSC for the IRAS densification process.

Colin Philip Mahony↗
DOE OSTI2022

Parametric Study of Panel PCM–Air Heat Exchanger Designs

Heat exchangers, devices for the transfer of heat between two or more working fluids, are extensively used in cooling applications and heating applications. Heat exchangers in buildings are typically components of space-conditioning systems, as well as of water-heating applications. Heat exchangers are also sometimes used in applications that require storage and release of energy at specific times. Phase change materials (PCMs) enhance these heat-exchange processes, given their ability to melt and solidify at a fixed range of temperatures, absorbing or releasing significant amounts of latent heat. Five different configurations of PCM–air heat exchangers for thermal control in buildings are analyzed in this work. The heat exchangers were fitted with PCM encapsulated in plastic and composite pouches of various shapes, and packaged in stackable panel layers. Three-dimensional computational fluid dynamics (CFD) modeling of coupled incompressible fluid and conjugate heat transfer were performed on the designs. The phase change process was numerically modelled using the apparent heat capacity method. Steady-state CFD simulations provided quantification of pressure drop as a function of air flow velocity. Transient simulation results describe the thermal evolution of PCM in the pouches, helping to determine the best performing configuration with respect to total thermal charging time.

10 SYNTHETIC FUELS↗
NASA NTRS2003

Elastic-Plastic Thermal Stress Analysis of a High-Pressure Cryogenic Storage Tank

The thermal stresses on a cryogenic storage tank contribute strongly to the state of stress of the tank material and its ability to withstand operational stresses. These thermal stresses also affect the growth of any surface damage that might occur in the tank walls. These stresses are particularly of concern during the initial cooldown period for a new tank placed into service, and during any subsequent thermal cycles. A previous preliminary elastic analysis showed that the thermal stress on the inner wall would reach approximately 1,000MPa (145,000 psi). This stress far exceeds the ASTM specified room temperature values for both yield (170MPa) and ultimate (485 MPa) strength for 304L stainless steel. The present analysis determines the thermal stresses using an elastic-plastic model. The commercial software application ANSYS was used to determine the transient spatial temperature profile and the associated spatial thermal stress profiles in a segment of a thick-walled vessel during a typical cooldown process. A strictly elastic analysis using standard material properties for 304L stainless steel showed that the maximum thermal stress on the inner and outer walls was approximately 960 MPa (tensile) and - 270 MPa (compressive) respectively. These values occurred early in the cooldown process, but at different times, An elastic-plastic analysis showed significantly reducing stress, as expected due to the plastic deformation of the material. The maximum stress for the inner wall was approximately 225 MPa (tensile), while the maximum stress for the outer wall was approximately - 130 MPa (compressive).

Barker, J. Mark↗
NASA NTRS2001

Flame Synthesis of Single- and Multi-Walled Carbon Nanotubes and Nanofibers

Metal-catalyzed carbon nanotubes are highly sought for a diverse range of applications that include nanoelectronics, battery electrode material, catalysis, hydrogen storage media and reinforcing agents in polymer composites. These latter applications will require vast quantities of nanotubes at competitive prices to be economically feasible. Moreover, reinforcing applications may not require ultrahigh purity nanotubes. Indeed, functionalization of nanotubes to facilitate interfacial bonding within composites will naturally introduce defects into the tube walls, lessening their tensile strength. Current methods of aerosol synthesis of carbon nanotubes include laser ablation of composite targets of carbon and catalyst metal within high temperature furnaces and decomposition of a organometallics in hydrocarbons mixtures within a tube furnace. Common to each approach is the generation of particles in the presence of the reactive hydrocarbon species at elevated temperatures. In the laser-ablation approach, the situation is even more dynamic in that particles and nanotubes are borne during the transient cooling phase of the laser-induced plasma for which the temperature far exceeds that of the surrounding hot gases within the furnace process tube. A shared limitation is that more efficient methods of nanoparticle synthesis are not readily incorporated into these approaches. In contrast, combustion can quite naturally create nanomaterials such as carbon black. Flame synthesis is well known for its commercial scalability and energy efficiency. However, flames do present a complex chemical environment with steep gradients in temperature and species concentrations. Moreover, reaction times are limited within buoyant driven flows to tens of milliseconds. Therein microgravity can greatly lessen temperature and spatial gradients while allowing independent control of flame residence times. In preparation for defining the microgravity experiments, the work presented here focuses on the effect of catalyst particle size and reactant gas in 1g.

VanderWal, R. L.↗
NASA NTRS1972

Evaluation of advanced component concepts for an integrated environmental control/life support, resistojet control system

Flow restricting devices were studied for their suitability as liquid water propellant flow limiters for the biowaste resistojet. Flow limiting during the start-up transient is required to prevent thrustor instabilities and icing which could result in heater failure in the electrical resistance heated thrustor (resistojet). The study was directed toward simple devices which would function passively (i.e., without power except from the propellant flow itself), and would offer high reliability and simplicity. In addition to the flow limiting devices, a thermal pumping system was studied to determine whether CO2, desorbed from molecular sieves could be pumped thermally in a space station application. The thermal pump is considered a possible replacement for mechanical pumps. It involves a cyclic, constant volume cryopumping system which employs space radiators to achieve the cryotemperatures. The frozen CO2 would be vaporized periodically, using a waste heat loop, to attain sufficient pressure to transfer a large portion of the trapped CO2 to storage tanks.

Halbach, C. R.↗
NASA NTRS1983

Space Station Control Requirements and Flywheel System Weights for Combined Momentum and Energy Storage

The specifications of the flywheel system for momentum storage and vehicle torquing are somewhat dependent upon the attitude control requirements of the space station in orbit. As a ground rule, the flywheel system will be sized large enough to provide all attitude maneuvers, if practical, to avoid or minimize turning on the reaction control system (RCS). The RCS, whenever used, expels expensive mass and tends to contaminate optical surfaces of the vehicle. The vehicle rate and acceleration specifications of 0.10 deg/sec and 0.01 deg/square sec are tentative, and may be reduced if lesser values are more practical for flywheel design. For local vertical attitude hold, the average attitude error should be zero, and not the classical 1 degree, since control moment gyro (CMG) gimbal angles provide an exact reference feedback for gravity gradient momentum. Docking presents a problem for docking transients and attitude alignment which will require use of the RCS.

Elam, F. M.↗
NASA NTRS1991

Self-pressurization of a flightweight liquid hydrogen storage tank subjected to low heat flux

Results are presented for an experimental investigation of self-pressurization and thermal stratification of a 4.89 cu m liquid hydrogen (LH2) storage tank subjected to low heat flux (0.35, 2.0, and 3.5 W/sq m) under normal gravity conditions. Tests were performed at fill levels of 83 to 84 percent (by volume). The LH2 tank was representative of future spacecraft tankage, having a low mass-to-volume ratio and high performance multilayer thermal insulation. Results show that the pressure rise rate and thermal stratification increase with increasing heat flux. At the lowest heat flux, the pressure rise rate is comparable to the homogenous rate, while at the highest heat flux, the rate is more than three times the homogeneous rate. It was found that initial conditions have a significant impact on the initial pressure rise rate. The quasi-steady pressure rise rates are nearly independent of the initial condition after an initial transient period has passed.

Hasan, M. M.↗
NASA NTRS2026

Thermal Cycle and Capacitance Testing of Mezzo Industries Phase Changer Material Heat Capacitor

Effective Thermal management is essential for the safety and performance of human spacecraft, especially during long-duration missions with fluctuating heat loads. Phase Change Material (PCM) heat exchangers offer a compact, efficient solution by storing and releasing thermal energy through latent heat during phase transitions. This allows PCM systems to buffer transient thermal loads without immediate heat rejection, reducing the need for oversized radiators – particularly critical during ascent and re-entry when radiators are stowed. By maintaining stable temperatures in crew cabins and equipment bays, PCM technology enhances crew comfort, protects sensitive systems, and supports long-term mission sustainability with minimal mass and volume impact. A phase change material heat capacitor prototype, designed and built under a NASA Small Business Innovation Research grant by Mezzo Technologies, utilizes a laser welding microtube manufacturing process that promises increased reliability and performance over current manufacturing methods like brazing. This heat exchanger was tested through coolant thermal cycling within the expected flow rates and temperature range of the Orion spacecraft, the crewed spacecraft taking NASA astronauts to the moon under the Artemis Program. The useful heat storage capacitance was measured and compared to Orion spacecraft requirements.

Active Thermal Control Systems↗