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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

A Novel Method Of Gradient Forming and Fluid Manipulation in Reduced Gravity Environments

The use of magnetic fields to control the motion and position of non-conducting liquids has received growing interest in recent times. The possibility of using the forces exerted by a nonuniform magnetic field on a ferrofluid to not only achieve fluid manipulation but also to actively control fluid motion makes it an attractive candidate for applications such as heat transfer in space systems. Terrestrial heat transfer equipment often relies on the normal gravitational force to hold liquid in a desired position or to provide a buoyant force to enhance the heat transfer rate. The residual gravitational force present in a space environment may no longer serve these useful functions and other forces, such as surface tension, can play a significant role in determining heat transfer rates. Although typically overwhelmed by gravitational forces in terrestrial applications, the body force induced in a ferrofluid by a nonuniform magnetic field can help to achieve these objectives in a microgravity environment. This paper will address the fluid manipulation aspect and will comprise of results from model fluid experiments and numerical modeling of the problem. Results from a novel method of forming concentration gradients that are applicable to low gravity applications will be presented. The ground based experiments are specifically tailored to demonstrate the magnetic manipulation capability of a ferrofluid and show that gravitational effects can be countered in carefully designed systems. The development of governing equations for the system will be presented along with a sampling of numerical results.

Ramachandran N.↗
DOE OSTI2026

On the Prospect of Chemically Transferable Coarse-Grained Electronic Models for Soft Materials

Electronic coarse-graining (ECG) methods predict quantum-mechanical electronic properties directly from coarse-grained (CG) molecular configurations, enabling electronic predictions at mesoscale length scales. Here, we present a diagnostic assessment of the feasibility of chemically transferable ECG models across a broad polymer-relevant chemical space using all-atom, united-atom, and Martini-scale representations. While high-resolution ECG models achieve near-quantitative accuracy, we show that chemically transferable ECG at the Martini resolution fails because the CG force field does not sample the same configurational distribution of local molecular structure as that underlying the DFT-parameterized ECG model. We demonstrate that our proposed Element-Count-Label (ECL) representation, which augments Martini beads with explicit stoichiometric data, significantly improves chemical generalization across diverse polymer chemistries. However, we find that even with improved chemical resolution, the model cannot recover electronic property distributions that are absent from the configurational space sampled by the CG force field. These results demonstrate that chemically transferable ECG requires future Martini-like force fields to explicitly preserve quantum chemistry–compatible local molecular structure in addition to thermodynamic and structural fidelity.

Kidder, Katherine M [Department of Chemistry; Univ↗
NASA NTRS1999

Characterization of the Heat Extraction Capability of a Compliant, Sliding, Thermal Interface for Use in a High Temperature, Vacuum Microgravity Furnace

Much of the material science gained in microgravity research requires processing a sample in a high performance furnace. One such furnace currently being designed is the Quench Module Insert (QMI). The Principle Investigators, for whom the furnace is proposed, require high temperature gradients in their cylindrical samples to achieve the science objectives. One of the components critical to achieving high sample axial temperature gradients in the Quench Module Insert is a high performance cold zone to extract the heat from the sample. This cold zone employs a compliant, sliding thermal interface based on a Vel-Therm felt. This felt provides a conductive path between the Sample Cartridge Assembly (SCA) exterior surface and the interior surface of the water cooled chill block while allowing movement of the sample relative to the chill block. The Vel-Therm felt is composed of long polymer-based fibers affixed to a thin flexible substrate layer. The fibers are oriented perpendicular to this substrate giving the felt the appearance of a velvet fabric. The Vel-Therm felt heat extraction capability was quantified in earlier tests performed in an inert gas environment. The current activity, described in this paper, is intended to characterize the extraction capability of Vel-Therm felt in a vacuum environment similar to the QMI environment. This testing is necessary to quantify the thermal performance of the Vel-Therm felt and the sensitivity of that performance to key variables. The data derived from these tests will be incorporated into the current thermal models to improve the quality of the models and reduce uncertainty of the analytical results. In addition, the data will be used to help select the appropriate Vel-Therm felt and set proper operating limits as well as assess the performance range of the furnace. The objective of this test is to measure the heat extraction rate of the Vel-Therm felt as specified by the effective heat transfer coefficient. Therefore, the test setup was designed to force the bulk of the heat transfer through the area where the Vel-Therm felt was applied. A heat source, consisting of a ceramic heating element encased in a Copper (Cu) housing is mounted on four isolated support rods. A 6-layer molybdenum radiation shield is used to insulate against heat loss from the heater and prevent heat exchange between the hot and cold sides of the test apparatus. The Vel-Therm felt is affixed to the surface of the cold sink, a water-cooled Cu chill block. An adjustable plate supports and isolates the cold sink from above and is used to control the amount of the deflection of the Vel- Therm when in contact with the Cu heating element housing. The primary means of establishing the power being conducted through the felt is to measure the energy being transferred to the water passing through the chill block. Analysis was performed to support the assumption that the source and sink surfaces were approximately isothermal under the specific test conditions. As a check on the amount of power passing through the felt, the power supplied to the heater was also measured. Thermocouples were strategically located throughout the test apparatus for measurement purposes. A bell jar was lowered over the assembly to impose vacuum conditions. Currently, variables tested have been fiber compression and fiber type and surface temperatures (both the hot and cold side temperatures are hypothesized to be important to the performance of the Vel-Therm.) Selected runs were repeated to ensure consistency and repeatability. Results obtained thus far reveal that Vel-Therm performance is significantly degraded by fibers being exposed to high compression. It also shows that performance is somewhat negatively impacted by previous compression, thereby, raising the question of repeatability. In addition, early results show a significant dependence on temperature. A computer aided mathematical analysis of the test setup is ongoing. The results will be correlated to actual results. The correlation will examine such details as parasitic loses, conduction down the power leads and many other concerns.

Bellomy-Ezell, Jenny↗
DOE OSTI2022

Automated cryogenic refilling system

An improved system and method for the automated refilling of cryogenic helium is provided. In one embodiment, the system includes a dewar in fluid communication with a liquid helium cryostat through a cryogen transfer line. A controller regulates operation of a three-way valve to pre-cool the transfer line and to cause gaseous helium to flow to the dewar and force liquid helium through the transfer line into the cryostat. The controller is coupled to the output of a cryogenic level sensor, such that the controller regulates the helium liquid level within the cryostat. During filling cycles, the dewar liquid level is also monitored by the cryogenic level sensor and an alarm sounds if the dewar liquid level is undesirably low. Between filling cycles, the controller is operable to ventilate the dewar through a solenoid vent valve in fixed time intervals to ensure the dewar pressure is sufficiently low so as to not bleed liquid helium into the cryostat.

Ruiz-Rodriguez, Mariano M.↗
NASA NTRS1983

Optimal control of orbital transfer vehicles

During the past two decades, considerable research effort has been spent to convincingly prove that the use of aerodynamic forces to assist in the orbital transfer can significantly reduce the fuel consumption as compared to the pure propulsive mode. Since in this aeroassisted mode, preliminary maneuvers in the vacuum effect the resulting performance in the atmospheric phase, and vice versa, the two, space and atmospheric maneuvers, are, to a great extent, coupled. This paper summarizes, via optimal control theory, the fundamental results in the problem of orbital transfer using combined propulsive and aerodynamic forces. For the atmospheric phase, the use of Chapman's variables reduced the number of the physical characteristics of the vehicle and the atmosphere to a minimum and hence allows a better generalization of the results. The paper concludes with some illustrative examples.

Vinh, N. X.↗
NASA NTRS1988

Nucleate pool boiling: High gravity to reduced gravity; liquid metals to cryogens

Requirements for the proper functioning of equipment and personnel in reduced gravity associated with space platforms and future space station modules introduce unique problems in temperature control; power generation; energy dissipation; the storage, transfer, control and conditioning of fluids; and liquid-vapor separation. The phase change of boiling is significant in all of these. Although both pool and flow boiling would be involved, research results to date include only pool boiling because buoyancy effects are maximized for this case. The effective application of forced convection boiling heat transfer in the microgravity of space will require a well grounded and cogent understanding of the mechanisms involved. Experimental results are presented for pool boiling from a single geometrical configuration, a flat surface, covering a wide range of body forces from a/g = 20 to 1 to a/g = 0 to -1 for a cryogenic liquid, and from a/g = 20 to 1 for water and a liquid metal. Similarities in behavior are noted for these three fluids at the higher gravity levels, and may reasonably be expected to continue at reduced gravity levels.

Merte, Herman, Jr.↗
NASA NTRS1999

Global Aerosol Radiative Forcing Derived from Sea WiFS-Inferred Aerosol Optical Properties

Aerosol optical properties inferred from the Sea-viewing Wide Field-of-view Sensor (SeaWiFS) radiance measurements are used to compute the aerosol shortwave radiative forcing using a radiative transfer model. The aerosol optical thickness at the wavelength of 865-nm is taken from the SeaWIFS archive. It is found that the nominal optical thickness over oceans ranges from 0.1 to 0.2. Using a maritime aerosol model and the radiances measured at the various SeaWiFS channels, the Angstrom exponent is determined to be 0.2174, the single-scattering albedo to be 0.995, and the asymmetry factor to be 0.786. The radiative transfer model has eight bands in the visible and ultraviolet spectral regions and three bands in the near infrared. It includes the absorption due to aerosols, water vapor, carbon dioxide, and oxygen, and the scattering due to aerosols and gases (Rayleigh scattering). The radiative forcing is computed over global oceans for four months (January, April, July, and October, 1998) to represent four seasons. It is found that the aerosol radiative forcing is large and changes significantly with seasons near the continents with large-scale forest fires and desert dust. Averaged over oceans and the four months, the aerosol radiative forcing is approximately 7 W/sq m at the top of the atmosphere. This large radiative forcing is expected to have a significant cooling effect on the Earth's climate as implied from simulations of a number of general circulation models.

Chou, Ming-Dah↗
NASA NTRS2024

A Physics-Based Antarctic Melt Detection Technique: Combining Advanced Microwave Scanning Radiometer 2, Radiative-Transfer Modeling, and Firn Modeling

Surface melt on ice shelves has been linked to hydrofracture and subsequent ice shelf breakup. Since the 1990s, scientists have been using microwave radiometers to detect melt on ice shelves and ice sheets by applying various statistical thresholding techniques to identify significant increases in brightness temperature that are associated with melt. In this study, instead of using a fixed threshold, we force the Snow Radiative Transfer model (SMRT) with outputs from the Community Firn Model (CFM) to create a dynamic, physics-based threshold for melt. In the process, we also combine our method with statistical thresholding techniques and produce microwave grain size information in the process. We run this “Hybrid Method” across the Larsen C ice shelf as well as thirteen sites on the Antarctic Ice Sheet. Melt and non-melt days from the Hybrid Method and three statistical thresholding techniques match with surface energy balance within 94±1%; the effect of melt on the passive microwave is mostly binary and thus largely detectable by statistical thresholding techniques as well as physics-based techniques. Rather than always replacing statistical thresholding techniques with the Hybrid Method, we recommend using the Hybrid Method in studies where melt volume or grain size is of interest. In this study, we show that the Hybrid Method can be used to (a) model dry snow brightness temperatures of Antarctic snow and (b) derive a measure of grain size; therefore, it is an important step forwards towards using firn and radiative transfer modeling to quantify melt rather than to simply detect melt days.

Marissa E Dattler↗
DOE OSTI2020

Molecular-Scale Characterization of Photoinduced Charge Separation in Mixed-Dimensional InSe–Organic van der Waals Heterostructures

Layered indium selenide (InSe) is an emerging two-dimensional semiconductor that has shown significant promise for high-performance transistors and photodetectors. The range of optoelectronic applications for InSe can potentially be broadened by forming mixed-dimensional van der Waals heterostructures with zero-dimensional molecular systems that are widely employed in organic electronics and photovoltaics. Here, we report the spatially resolved investigation of photoinduced charge separation between InSe and two molecules (C 70 and C 8 -BTBT) using scanning tunneling microscopy combined with laser illumination. We experimentally and computationally show that InSe forms type-II and type-I heterojunctions with C 70 and C 8 -BTBT, respectively, due to an interplay of charge transfer and dielectric screening at the interface. Laser-excited scanning tunneling spectroscopy reveals a ~0.25 eV decrease in the energy of the lowest unoccupied molecular orbital of C 70 with optical illumination. Furthermore, photoluminescence spectroscopy and Kelvin probe force microscopy indicate that electron transfer from InSe to C 70 in the type-II heterojunction induces a photovoltage that quantitatively matches the observed downshift in the tunneling spectra. In contrast, no significant changes are observed upon optical illumination in the type-I heterojunction formed between InSe and C 8 -BTBT. Density functional theory calculations further show that, despite the weak coupling between the molecular species and InSe, the band alignment of these mixed-dimensional heterostructures strongly differs from the one suggested by the ionization potential and electronic affinities of the isolated components. Self-energy-corrected density functional theory indicates that these effects are the result of the combination of charge redistribution at the interface and heterogeneous dielectric screening of the electron–electron interactions in the heterostructure. In addition to providing specific insight for mixed-dimensional InSe–organic van der Waals heterostructures, this work establishes a general experimental methodology for studying localized charge transfer at the molecular scale that is applicable to other photoactive nanoscale systems.

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

Counter gravity heat pipe techniques

A pump assisted heat pipe may combine the low mass flow rate required of latent heat pipe transfer loops with a hermetically sealed pump to overcome the typical heat pipe capillary limit. This may result in a device with substantially higher heat transfer capacity over conventional pumped single-phase loops, heat pipes, loop heat pipes, and capillary pumped loops with very modest power requirements to operate. Further, one or more embodiments overcome the gravitation limitations in the conventional heat pipe configuration, e.g., when the heat addition zone is above the heat rejection zone, the capillary forces are required to transfer the liquid from the heat rejection zone to the heat addition zone against gravity.

Reid, Robert S.↗
DOE OSTI2024

Counter gravity heat pipe techniques

A pump assisted heat pipe may combine the low mass flow rate required of latent heat pipe transfer loops with a hermetically sealed pump to overcome the typical heat pipe capillary limit. This may result in a device with substantially higher heat transfer capacity over conventional pumped single-phase loops, heat pipes, loop heat pipes, and capillary pumped loops with very modest power requirements to operate. Further, one or more embodiments overcome the gravitation limitations in the conventional heat pipe configuration, e.g., when the heat addition zone is above the heat rejection zone, the capillary forces are required to transfer the liquid from the heat rejection zone to the heat addition zone against gravity.

Reid, Robert S.↗
NASA NTRS2005

Concepts to Automate Fluid Transfer Capability of Low Impact Docking System (LIDS)

The capability to transfer mass between spacecraft is necessary for many mission scenarios. Docking and berthing operations have enabled fluid, electrical, crew and equipment transfers to some degree on all manned space operations since the Gemini program. The Apollo program performed some sophisticated docking maneuvers to land men on the moon and return them safely to Earth. These programs primarily transferred crew, equipment, and pressurized atmosphere between docked spacecraft. The International Space Station (ISS) U.S. modules are connected by Common Berthing Mechanism (CBM) portals. They provide many feed-through ports for electrical, and fluid transfer between modules, as well as a large diameter crew and equipment tunnel. Fluid and electrical jumpers are manually installed after the CBM sealing surfaces have been securely mated to maintain the pressurized cabin environment. CBM berthing and subsequent fluid transfer capability requires a lengthy manual process involving an active interface that mates with a passive half. The Androgynous Peripheral Attach System (MAS) a Russian technology that docked the Russian Zarya module to Unity, or Node 1, is a more complex system that also is capable of fuel transfer, enabling refueling of the Russian re-boost engines on ISS. For several years, a Low Impact Docking System (LIDS) has been under development at Johnson Space Center (JSC). This docking technology has a requirement to be androgynous in order to allow the fabrication of a single configuration that can dock with all other LIDS units. It is desired to make electrical and fluid coupling mating an automated process to enable routine docking and undocking operations to support future exploration missions. It is envisioned that modular design and vehicle assembly will require an efficient LIDS for fuel, electrical, crew, and equipment transfer. Marshall Space Flight Center (MSFC) has joined the LIDS development effort and plans to employ fluid transfer concepts and technology from previous development programs, such as the Automated Fluid Interface System (AFIS) and the Ohital Fluid Transfer System (OFTS) that were developed and tested by MSFC. Orbital Expressderived robotic satellite servicing technology is scheduled to fly soon to demonstrate fluid transfer technology developed for the Air Force. This paper will compare known technology against possible fluid transfer requirements for LIDS to develop design strategies for automated fluid transfer.

Miernik, Janie H.↗
NASA NTRS2006

Radiative Forcing by Well-Mixed Greenhouse Gases: Estimates from Climate Models in the Intergovernmental Panel on Climate Change (IPCC) Fourth Assessment Report (AR4)

The radiative effects from increased concentrations of well-mixed greenhouse gases (WMGHGs) represent the most significant and best understood anthropogenic forcing of the climate system. The most comprehensive tools for simulating past and future climates influenced by WMGHGs are fully coupled atmosphere-ocean general circulation models (AOGCMs). Because of the importance of WMGHGs as forcing agents it is essential that AOGCMs compute the radiative forcing by these gases as accurately as possible. We present the results of a radiative transfer model intercomparison between the forcings computed by the radiative parameterizations of AOGCMs and by benchmark line-by-line (LBL) codes. The comparison is focused on forcing by CO2, CH4, N2O, CFC-11, CFC-12, and the increased H2O expected in warmer climates. The models included in the intercomparison include several LBL codes and most of the global models submitted to the Intergovernmental Panel on Climate Change (IPCC) Fourth Assessment Report (AR4). In general, the LBL models are in excellent agreement with each other. However, in many cases, there are substantial discrepancies among the AOGCMs and between the AOGCMs and LBL codes. In some cases this is because the AOGCMs neglect particular absorbers, in particular the near-infrared effects of CH4 and N2O, while in others it is due to the methods for modeling the radiative processes. The biases in the AOGCM forcings are generally largest at the surface level. We quantify these differences and discuss the implications for interpreting variations in forcing and response across the multimodel ensemble of AOGCM simulations assembled for the IPCC AR4.

Collins, W. D.↗
DOE OSTI2022

Conductivity and Transference Number Determination Protocols for Solid Oxide Cell Materials

To standardize materials and component characterization for next generation hydrogen production and energy generation solid oxide cell (SOC) technologies, test protocols are being established to facilitate comparison across the numerous laboratories and research institutions where SOC development for application in solid oxide fuel cells (SOFCs) and solid oxide electrolyzes cells (SOEC) is conducted. This paper proposes guiding protocols for fundamental electrical properties characterization of SOC materials, including temperature- and oxygen partial pressure (pO 2 )-dependent conductivity measurements, and use of the electromotive force for determining the transference numbers, or contributions of each charge carrier (i.e., ions and electrons), to the total conductivity. The protocol for Archimedes density measurements is also provided as an integral technique to both of these methods.

25 ENERGY STORAGE↗
DOE OSTI2021

CHARMM-GUI Nanomaterial Modeler for Modeling and Simulation of Nanomaterial Systems

Molecular modeling and simulation are invaluable tools for nanoscience that predict mechanical, physicochemical, and thermodynamic properties of nanomaterials and provide molecular-level insight into underlying mechanisms. However, building nanomaterial-containing systems remains challenging due to the lack of reliable and integrated cyberinfrastructures. Here we present Nanomaterial Modeler in CHARMM-GUI, a web-based cyberinfrastructure that provides an automated process to generate various nanomaterial models, associated topologies, and configuration files to perform state-of- the-art molecular dynamics simulations using most simulation packages. The nanomaterial models are based on the interface force field, one of the most reliable force fields (FFs). The transferability of nanomaterial models among the simulation programs was assessed by single-point energy calculations, which yielded 0.01% relative absolute energy differences for various surface models and equilibrium nanoparticle shapes. Three widely used Lennard-Jones (LJ) cutoff methods are employed to evaluate the compatibility of nanomaterial models with respect to conventional biomolecular FFs: simple truncation at r = 12 Å (12 cutoff), force-based switching over 10 to 12 Å (10-12 fsw), and LJ particle mesh Ewald with no cutoff (LJPME). The FF parameters with these LJ cutoff methods are extensively validated by reproducing structural, interfacial, and mechanical properties. As a result, we find that the computed density and surface energies are in good agreement with reported experimental results, although the simulation results increase in the following order: 10-12 fsw <12 cutoff < LJPME. Nanomaterials in which LJ interactions are a major component show relatively higher deviations (up to 4% in density and 8% in surface energy differences) compared with the experiment. Nanomaterial Modeler's capability is also demonstrated by generating complex systems of nanomaterial-biomolecule and nanomaterial-polymer interfaces with a combination of existing CHARMM-GUI modules. We hope that Nanomaterial Modeler can be used to carry out innovative nanomaterial modeling and simulations to acquire insight into the structure, dynamics, and underlying mechanisms of complex nanomaterial-containing systems.

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

Predicting and Understanding Non-Covalent Interactions Using Novel Forms of Symmetry-Adapted Perturbation Theory

Although sometimes derided as “weak” interactions, non-covalent forces play a critical role in ligand binding and crystal packing and in determining the conformational landscape of flexible molecules. Symmetry-adapted perturbation theory (SAPT) provides a framework for accurate ab initio calculation of intermolecular interactions and furnishes a natural decomposition of the interaction energy into physically meaningful components: semiclassical electrostatics (rigorously obtained from monomer charge densities), Pauli or steric repulsion, induction (including both polarization and charge transfer), and dispersion. This decomposition helps to foster deeper understanding of non-covalent interactions and can be used to construct transferable, physics-based force fields. Separability of the SAPT interaction energy also provides the flexibility to construct composite methods, a feature that we exploit to improve the description of dispersion interactions. Furthermore, these are challenging to describe accurately because they arise from nonlocal electron correlation effects that appear for the first time at second order in perturbation theory but are not quantitatively described at that level.

74 ATOMIC AND MOLECULAR PHYSICS↗