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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
NASA NTRS2007

Capabilities and History of NASA Marshall Space Flight Center's Hydrogen Test Facility

The Hydrogen Test Facility (HTF) has conducted mechanical testing for aerospace materials at NASA's Marshall Space Flight Center for many years. One of the first facilities of its kind to run high-pressure cryogenic permeability tests in liquid hydrogen, HTF is now characterized as a unique national resource capable of overcoming hazardous conditions to perform tests directly in various hydrogen environments. At HTF, custom test systems are operated in eight structurally reinforced test cells from 0 to 68,948 kPa (0 to 10,000 psi) at -253 to 982 C (--423 to 1800 F) in hydrogen, air, helium, and nitrogen, with other environments available upon request. Standard mechanical procedures include compression, fatigue crack growth rate, four-point bend, high/low cycle fatigue, fracture toughness, shear, strain-to-crack, and tensile testing. Cryogenic permeability and thermal conductivity and gaseous creep testing are offered, as well as simulated service under different combinations of operating environment(s), stress, pressure, and ambient-to-extreme temperatures. Advanced tests are routinely developed upon demand, and special component testing is also available. Current efforts include the renovation of two high-pressure gaseous test cells to generate data for a J-2X engine designed for Constellation's Ares I and V vehicles. In the past, HTF has supported other critical NASA programs, such as Apollo, Space Shuttle, and Next Generation Launch Technologies. During the 1990's, hundreds of tests were conducted in liquid hydrogen and liquid nitrogen during development of the Space Shuttle's super lightweight tank, which provided the thrust required to achieve low Earth orbit for the International Space Station. This facility was designed and built in 1963. Originally called the Low Temperature Test Facility, it became known as the Cryogenic Test Facility in the late 1980's and HTF in the early 1990's.

Malone, T. W.↗
DOE OSTI2021

Simulation of polymerization induced phase separation in model thermosets

Polymerization induced phase separation (PIPS) in a three component thermoset is studied using molecular dynamics simulations of a new coarse-grained thermoset model. The system includes two crosslinker molecules, which differ in their glass transition temperatures (T g ) and chain length and thus have the potential for phase separation. Here, one crosslinker has a high T g corresponding to a rubbery behavior, and simulations were performed for a short length (4 beads) and a long length (33 beads). The resin and other crosslinker have low T g . A coarse-grained model is developed with these features and with interaction parameters determined so that for either rubbery crosslinker length, the system is in the liquid state at the cure temperature. For sufficiently slow reaction rates, the long rubbery molecule exhibits PIPS into a bicontinuous array of nanoscale domains, but the short one does not, reproducing recent experimental results. The simulations demonstrate that the reaction rates must be slow enough to allow diffusion to yield phase separation. Particularly, the reaction rate corresponding to the secondary amine must be very slow, else the structure of crosslinked clusters and the substantially increased diffusion time will prevent PIPS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1978

Thermal performance evaluation of the Calmac (liquid) solar collector

The procedures used and the results obtained during the evaluation test program on the S. N. 1, (liquid) solar collector are presented. The flat plate collector uses water as the working fluid. The absorber plate is aluminum with plastic tubes coated with urethane black. The glazing consists of .040 in fiberglass reinforced polyester. The collector weight is 78.5 pounds with overall external dimensions of approximately 50.3in. x 98.3in. x 3.8in. The following information is given: thermal performance data under simulated conditions, structural behavior under static loading, and the effects of long term exposure to natural weathering. These tests were conducted using the MSFC Solar Simulator.

Usher, H.↗
DOE OSTI2019

Imidazole and 1-Methylimidazole Hydrogen Bonding and Nonhydrogen Bonding Liquid Dynamics: Ultrafast IR Experiments

Dynamics of imidazole (IM) and 1-methylimidazole (1-MeIM) in the liquid phase at 95 °C were studied by IR polarization selective pump-probe (PSPP) and two-dimensional IR (2D IR) spectroscopies. The two molecules are very similar structurally except that IM can be simultaneously a hydrogen bond donor and acceptor and therefore forms extended hydrogen bonded networks. The broader IR absorption spectrum and shorter vibrational lifetime of the vibrational probe, selenocyanate anion (SeCN – ), in IM vs. 1-MeIM indicate that stronger hydrogen bonding exists between SeCN – and IM. Molecular dynamics (MD) simulations support the strong hydrogen bond formation between SeCN – and IM via the HN moiety. SeCN – makes two H-bonds with IM; it is inserted in the IM H-bonded chains rather than being a chain terminator. The strong hydrogen bonding influenced the reorientation dynamics of SeCN – in IM, leading to more restricted short time angular sampling (wobbling-in-a-cone). The complete orientational diffusion time in IM is 1.7 times slower than in 1-MeIM, but the slowdown is less than expected, considering the 3-fold larger viscosity of IM. The jump reorientation mechanism accounts for the anomalously fast orientational relaxation in IM, and the MD simulations determined the average jump angle of the probe between hydrogen bonding sites. Spectral diffusion time constants obtained from the 2D IR experiments are only modestly slower in IM than in 1-MeIM in spite of the significant increase in viscosity. Here, the results indicate that the spectral diffusion sensed by the SeCN – has IM hydrogen bond dynamics contributions not present in 1-MeIM.

14 SOLAR ENERGY↗
DOE OSTI2018

Neutral Current Elastic Scattering and the Strange Spin Structure of the Proton

Neutrinos can be used as a unique and informative probe of the structure within nucleons. This thesis presents the tools and methodology for studying the strange quark spin in the nucleon through neutral current elastic neutrino-proton scattering in the MicroBooNE experiment located at the Fermi National Accelerator Lab. An automated boosted decision tree based proton identification algorithm is used to select proton in liquid argon TPC data with a 70\% efficiency. After a set of protons are selected, a logistic regression model is used to select neutral current elastic proton interactions in MicroBooNE. Neutral current elastic proton interactions are selected with an 11\% efficiency and 30\% purity. The number of selected events measured in MicroBooNE data as a function of $Q^2$ is compared directly to the number of selected events in MicroBooNE simulation. An event reweighting scheme is used to vary the expected number of eventsin MicroBooNE simulation based on the values o f the physics parameters of interest. The likelihood for any given value of the physical parameters can then be easily calculated and the probability distributions of the physics parameters can be sampled using Markov Chain Monte Carlo. Future improvements to the detector physics models in MicroBooNE are required for a precise determination of the strange quark spin structure in the proton. With the current level of uncertainty on the detector physics models, we are only able to constrain the net strange quark spin, $\Delta s$ to the range $-1.8 < \Delta s < 3.8$ with 95\% confidence.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Perspectives on Systematic Cloud Microphysics Scheme Development With Machine Learning

Cloud microphysics—the collection of processes that govern the small‐scale formation, evolution, and interactions of liquid droplets and ice crystals in clouds and precipitation—remains a major source of uncertainty in weather and climate models. Although too small in scale to be explicitly resolved in any large‐eddy simulation, weather, or climate model, the representation of cloud microphysical processes has significant impact at the climate scale. Current microphysical schemes are limited by both parametric uncertainty, linked to uncertainty in physical parameter values, and structural uncertainty, arising from incomplete physical understanding of the processes at play or approximations made for computational efficiency. Recent advances in the application of machine learning (ML) to the physical sciences show significant potential for minimizing these limitations by leveraging high‐fidelity simulations and observations. Here we outline the challenges that must be addressed to apply ML toward cloud microphysics scheme development. This perspectives paper synthesizes recent progress in using data‐driven methods, including ML, to improve cloud microphysics parameterizations and highlights opportunities to address key uncertainties. We discuss the roles of aleatoric (irreducible, or statistical) and epistemic (reducible, or systematic) errors in contributing to microphysics parameterization uncertainty. ML can leverage observations to improve microphysical schemes via bottom‐up and top‐down constraints. Methods such as differentiable programming and ML‐enhanced sampling strategies and the creation of large scale benchmark data sets promise to bridge the gap between observations and models and to improve the consistency of cloud microphysical representation across temporal and spatial scales.

Lamb, Kara D. [Columbia Univ., New York, NY (Unite↗
DOE OSTI2026

Dynamics and Structure of Molten Neodymium Titanate

Binary rare earth titanates can be vitrified using levitation melt quenching, and their glasses are promising for optical applications. To better understand their thermophysical properties and dynamics, we have used molecular dynamics (MD) and empirical potential structure refinement (EPSR) to simulate molten neodymium titanate, 83TiO 2 –17Nd 2 O 3 . The models are compared with high-energy synchrotron X-ray diffraction of the melt structure over 1060–1960 K and thermophysical property measurements of electrostatically levitated droplets over 1500–2200 K. As temperature increases, the network periodicity increases and the correlation length decreases, both in monotonic trends that suggest continuous structural evolution through the melt and supercooled liquid regimes. At 1900 K, the mean Ti–O and Nd–O coordination numbers are 5.8(5) and 6.7(5), compared to the glass, 5.72(6) and 7.70(26). The equilibrium melting point is measured as 1860(20) K, over 100 K higher than previous estimates. Viscosity data from MD are in good agreement with experimental measurements. The dynamic propensity of Nd is similar to that of the network-forming Ti, suggesting that Nd does not participate as a conventional modifier. The viscosity of this fragile liquid is likely controlled by the breaking of cation–oxygen bonds and rearrangements of Ti–O polyhedra.

molecular dynamics↗
NASA NTRS2021

Investigation of Ionic Liquids Isolated Iron for Ductile Iron Castings

As research continues for missions beyond low-Earth orbit, in-situ resource utilization (ISRU) methods are critical. For Lunar and Martian colonization, the ability to manufacture mechanical and structural components with local resources is essential. Ionic liquids (IL) are being studied at NASA Marshall Space Flight Center (MSFC) to harvest elemental metals from meteorites and regolith oxides. In this investigation, the viability of casting ductile iron using ionic liquids sourced iron and nickel was explored given ductile iron’s range of applications and performance as an as-cast alloy. Ingots were produced using commercial elements to simulate the use of IL iron with carbon sourced from the by-products of a life support system currently tested at MSFC. Samples were cast and compared to commercial ductile iron with phase transformation diagrams,microstructures, and hardness. Results showed ionic liquids sourced elements are a viable source of elemental alloying materials for a range of ductile iron alloys.

Ionic Liquids↗
DOE OSTI2023

Medium-Range Ordering in the Ionic Glass Electrolytes LiPON and LiSiPON

In this work, we provide an in-depth structural characterization of the amorphous ionic glasses LiPON and LiSiPON with high Li content. Based on ab initio molecular dynamics simulations, the structure of these materials is an inverted structure with either isolated polyanion tetrahedra or polyanion dimers in a Li+ matrix. Based on neutron scattering data, this type of inverted structure leads to a significant amount of medium-range ordering in the structure, as demonstrated by two sharp diffraction peaks and a periodic structural oscillation in the density function G(r). While this medium-range ordering is commonly observed in liquids and metallic glasses, it has not previously been observed in oxides. On a local scale, adding N and Si increases the number of anion bridges and polyanion dimer structures, leading to higher ionic conductivity. In the medium-range ordering, the addition of Si leads to more disorder in the polyanion substructure but a significant increase in the ordering of the O substructure. Finally, we demonstrate that this inverted structure with medium-range ordering results in a glassy material that is both mechanically stiff and ductile on the nanoscale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Reorganization Energy of Electron Transfer in Ionic Liquids

We report bandshape analysis of charge-transfer optical bands in room-temperature ionic liquids (ILs) is performed to extract reorganization energy of electron transfer. Remarkably, the reorganization energies in ILs are close to those in cyclohexane. This result runs against common wisdom in the field since conducting ILs, characterized by an infinite static dielectric constant, and nonpolar cyclohexane fall to the opposite ends of the polarity scale based on their dielectric constants. Theoretical calculations employing structure factors of ILs from molecular dynamics simulations support low values of the reorganization energy. Standard dielectric arguments do not apply to solvation in ILs and nonergodic reorganization energies are required for a quantitative analysis.

14 SOLAR ENERGY↗
DOE OSTI2025

Perspective: Are glasses really frozen?

A glass is obtained by cooling a liquid fast enough to avoid crystallization. It is a solid with elastic constants and density similar to those of a crystal with the same composition. It is customarily assumed that the structure of a glass is frozen, and atoms are largely locked into a random, but specific, structure; while a small number of loosely bound atoms may be mobile, most atoms are frozen at room temperature and below. However, recent simulation studies on metallic glasses present a rather different picture. A very significant fraction (~20%) of atoms are not frozen and locally mobile, even down to T = 0 partly because of quantum effect. Here, we describe these observations and discuss their implications on the nature of the glass structure and the origin of the glass transition.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Experimental and theoretical evidence for hydrogen doping in polymer solution-processed indium gallium oxide

The field-effect electron mobility of aqueous solution-processed indium gallium oxide (IGO) thin-film transistors (TFTs) is significantly enhanced by polyvinyl alcohol (PVA) addition to the precursor solution, a >70-fold increase to 7.9 cm 2 /Vs. To understand the origin of this remarkable phenomenon, microstructure, electronic structure, and charge transport of IGO:PVA film are investigated by a battery of experimental and theoretical techniques, including In K-edge and Ga K-edge extended X-ray absorption fine structure (EXAFS); resonant soft X-ray scattering (R-SoXS); ultraviolet photoelectron spectroscopy (UPS); Fourier transform-infrared (FT-IR) spectroscopy; time-of-flight secondary-ion mass spectrometry (ToF-SIMS); composition-/processing-dependent TFT properties; high-resolution solid-state 1 H, 71 Ga, and 115 In NMR spectroscopy; and discrete Fourier transform (DFT) analysis with ab initio molecular dynamics (MD) liquid-quench simulations. The 71 Ga{ 1 H} rotational-echo double-resonance (REDOR) NMR and other data indicate that PVA achieves optimal H doping with a Ga···H distance of ~3.4 Å and conversion from six- to four-coordinate Ga, which together suppress deep trap defect localization. This reduces metal-oxide polyhedral distortion, thereby increasing the electron mobility. Finally, hydroxyl polymer doping thus offers a pathway for efficient H doping in green solvent-processed metal oxide films and the promise of high-performance, ultra-stable metal oxide semiconductor electronics with simple binary compositions.

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

Lockheed Martin Skunk Works Single Stage to Orbit/Reusable Launch Vehicle

Lockheed Martin Skunk Works has compiled an Annual Performance Report of the X-33/RLV Program. This report consists of individual reports from all industry team members, as well as NASA team centers. This portion of the report is comprised of a status report of Lockheed Martin's contribution to the program. The following is a summary of the Lockheed Martin Centers involved and work reviewed under their portion of the agreement: (1) Lockheed Martin Skunk Works - Vehicle Development, Operations Development, X-33 and RLV Systems Engineering, Manufacturing, Ground Operations, Reliability, Maintainability/Testability, Supportability, & Special Analysis Team, and X-33 Flight Assurance; (2) Lockheed Martin Technical Operations - Launch Support Systems, Ground Support Equipment, Flight Test Operations, and RLV Operations Development Support; (3) Lockheed Martin Space Operations - TAEM and A/L Guidance and Flight Control Design, Evaluation of Vehicle Configuration, TAEM and A/L Dispersion Analysis, Modeling and Simulations, Frequency Domain Analysis, Verification and Validation Activities, and Ancillary Support; (4) Lockheed Martin Astronautics-Denver - Systems Engineering, X-33 Development; (5) Sanders - A Lockheed Martin Company - Vehicle Health Management Subsystem Progress, GSS Progress; and (6) Lockheed Martin Michoud Space Systems - X-33 Liquid Oxygen (LOX) Tank, Key Challenges, Lessons Learned, X-33/RLV Composite Technology, Reusable Cyrogenic Insulation (RCI) and Vehicle Health Monitoring, Main Propulsion Systems (MPS), Structural Testing, X-33 System Integration and Analysis, and Cyrogenic Systems Operations.

Source record↗
NASA NTRS2014

Tank Applied Testing of Load-Bearing Multilayer Insulation (LB-MLI)

The development of long duration orbital cryogenic storage systems will require the reduction of heat loads into the storage tank. In the case of liquid hydrogen, complete elimination of the heat load at 20 K is currently impractical due to the limitations in lift available on flight cryocoolers. In order to reduce the heat load, without having to remove heat at 20 K, the concept of Reduced Boil-Off uses cooled shields within the insulation system at approximately 90 K. The development of Load-Bearing Multilayer Insulation (LB-MLI) allowed the 90 K shield with tubing and cryocooler attachments to be suspended within the MLI and still be structurally stable. Coupon testing, both thermal and structural was performed to verify that the LB-MLI should work at the tank applied level. Then tank applied thermal and structural (acoustic) testing was performed to demonstrate the functionality of the LB-MLI as a structural insulation system. The LB-MLI showed no degradation of thermal performance due to the acoustic testing and showed excellent thermal performance when integrated with a 90 K class cryocooler on a liquid hydrogen tank.

Thermal Insulation↗
NASA NTRS2019

In Situ Observation of Growth Dynamics in DECLIC Directional Solidification Insert Onboard ISS: DSI-R Flight Campaign

The study of solidification microstructure formation is of utmost importance for materials design and processing, as solid-liquid interface patterns largely govern mechanical and physical properties. Pattern selection occurs under dynamic conditions of growth in which the initial morphological instability evolves nonlinearly and undergoes a reorganization process. The dynamic and nonlinear nature of this instability renders in situ observation of the interface an invaluable tool to gain knowledge on the time-evolution of the interface pattern. Transparent organic analogs, which solidify like metallic alloys, allow direct visualization of interface dynamics. Extensive ground-based studies of both metallic and organic bulk samples have established the presence of significant convection during solidification processes that alters the formation of interfacial microstructures. A reduced-gravity environment is therefore mandatory for fluid flow elimination in bulk samples. In the framework of the CNES project MISOL3D (MIcrostrutures de SOLidification 3D) and the NASA projects DSIP (Dynamical Selection of 3D Interface Patterns), SPADES (SPAtiotemporal Evolution of three-dimensional DEndritic array Structures) and CAMUS (ComputAtional Studies of MicrostrUcture Formation During Alloy Solidification in Microgravity), we participated in the development of the Directional Solidification Insert (DSI) of the DEvice for the study of Critical Liquids and Crystallization (DECLIC). The DECLIC-DSI is dedicated to in situ and real-time characterization of solid-liquid interface patterns during directional solidification of transparent alloys in diffusive transport regime. Between April 2010 and March 2011, the first ISS campaign (DSI) explored the entire range of microstructures resulting in unprecedented observations. A second campaign (DSI-R), performed between October 2017 and December 2018, in which the insert contained an alloy of higher solute concentration, allowed to complete the benchmark database. The increase of solute concentration resulted in well-developed dendritic patterns at lower velocities (lower interface curvature and larger tip radius). The microstructure resulting from dendritic growth is dominant in metallurgy so that it is fundamental to understand the mechanisms of its formation. The main aims of this experimental campaign are to understand: the mechanisms of the cell to dendrite transition, the fundamental mechanisms of sidebranching formation, the dependence of dendrite tip shapes on growth conditions, the interaction of primary array and secondary sidebranches, and the influence of subgrain boundaries on the spatiotemporal organization of the array structure. Preparation, analysis and interpretation of the experiments performed onboard ISS are considerably enhanced by experiments performed on ground using thin-samples (Pr. Trivedi’s group) and phase-field simulations of microstructure formation in a diffuse growth regime (Pr. Karma’s group). In this summary, we will present an initial assessment of the results obtained during the DSI-R campaign. Nomenclature Vp: pulling velocity G: thermal gradient L: solidified length rtip: tip curvature radius Acronyms/Abbreviations CADMOS: Centre d'Aide au Développement des activités en Micro-pesanteur et des Opérations Spatiales CNES: Centre National d’Études Spatiales DECLIC: Device for the study of Critical LIquids and Crystallization DSI: Directional Solidification Insert DSI-R: Directional Solidification Insert - Refurbish ISS: International Space Station NASA: National Aeronautics and Space Administration PF: phase-field SCN: Succinonitrile 3D: three-dimensional

Mota, F.L.↗
DOE OSTI2024

Interpretable Machine Learning Models for Practical Antimonate Electrocatalyst Performance

Computationally predicting the performance of catalysts under reaction conditions is a challenging task due to the complexity of catalytic surfaces and their evolution in situ, different reaction paths, and the presence of solid-liquid interfaces in the case of electrochemistry. We demonstrate here how relatively simple machine learning models can be found that enable prediction of experimentally observed onset potentials. Inputs to our model are comprised of data from the oxygen reduction reaction on non-precious transition-metal antimony oxide nanoparticulate catalysts with a combination of experimental conditions and computationally affordable bulk atomic and electronic structural descriptors from density functional theory simulations. From human-interpretable genetic programming models, we identify key experimental descriptors and key supplemental bulk electronic and atomic structural descriptors that govern trends in onset potentials for these oxides and deduce how these descriptors should be tuned to increase onset potentials. Here, we finally validate these machine learning predictions by experimentally confirming that scandium as a dopant in nickel antimony oxide leads to a desired onset potential increase. Macroscopic experimental factors are found to be crucially important descriptors to be considered for models of catalytic performance, highlighting the important role machine learning can play here even in the presence of small datasets.

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

Probing the Self-Assembly dynamics of cellulose nanocrystals by X-ray photon correlation spectroscopy

Charge-stabilized colloidal cellulose nanocrystals (CNCs) can self-assemble into higher-ordered chiral nematic structures by varying the volume fraction. The assembly process exhibits distinct dynamics during the isotropic to liquid crystal phase transition, which can be elucidated using X-ray photon correlation spectroscopy (XPCS). Anionic CNCs were dispersed in propylene glycol (PG) and water spanning a range of volume fractions, encompassing several phase transitions. Coupled with traditional characterization techniques, XPCS was conducted to monitor the dynamic evolution of the different phases. Additionally, simulated XPCS results were obtained using colloidal rods and compared with the experimental data, offering additional insights into the dynamic behavior of the system. The results indicate that the particle dynamics of CNCs undergo a stepped decay in three stages during the self-assembly process in PG, coinciding with the observed phases. The phase transitions are associated with a total drop of Brownian diffusion rates by four orders of magnitude, a decrease of more than a thousand times slower than expected in an ideal system of repulsive Brownian rods. Given the similarity in the phase behaviors in CNCs dispersed in PG and in water, we hypothesize that these dynamic behaviors can be extrapolated to other polar solvent environments. Importantly, these findings represent the direct measurement of CNC dynamics using XPCS, underscoring the feasibility of directly assessing the dynamic behavior of other rod-like colloidal suspensions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effects of Surface and Top Wind Shear on the Spatial Organization of Marine Stratocumulus-Topped Boundary Layers

Typically, the convective nature of Stratocumulus topped boundary layers (STBL) involves the motion of updrafts and downdrafts, driven by surface fluxes and radiative cooling, respectively. The balance between shear and buoyant forcings at the surface can determine the organization of updrafts between cellular and roll structures. We investigate the effect of varying shear at the surface and top of the STBL using Large Eddy Simulations, taking DYCOMS II RF01 as a base case. We focus on spatial identification of the following features: coherent updrafts and downdrafts, and observe how they are affected by varying shear. Stronger surface shear organizes the updrafts in rolls, causes less well-mixed thermodynamic profiles, and decreases cloud fraction and liquid water path (LWP). Stronger top shear also decreases cloud fraction and LWP more than surface shear, by thinning the cloud from the top. Features with stronger top than surface shear are associated with a net downward momentum transport and show early signs of decoupling. Classifying updrafts and downdrafts based on their vertical span and horizontal size confirms the dominance of tall objects spanning the whole STBL. Tall objects occupy 30% of the volume in the STBL, while short ones occupy less than 1%. For updraft and downdraft fluxes, these tall objects explain 65% of the vertical velocity variance and 83% of the buoyancy flux, on average. Stronger top shear also weakens the contribution of downdrafts to the turbulent fluxes and tilts the otherwise vertical development of updrafts.

54 ENVIRONMENTAL SCIENCES↗