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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Ethane and methane at high pressures: Structure and stability

We have performed a combined experimental and theoretical study of ethane and methane at high pressures of up to 120 GPa at 300 K using x-ray diffraction and Raman spectroscopies and the USPEX ab initio evolutionary structural search algorithm, respectively. For ethane, we have determined the crystallization point, for room temperature, at 2.7 GPa and also the low pressure crystal structure (phase A). This crystal structure is orientationally disordered (plastic phase) and deviates from the known crystal structures for ethane at low temperatures. Moreover, a pressure induced phase transition has been identified, for the first time, at 13.6 GPa to a monoclinic phase B, the structure of which is solved based on good agreement with the experimental results and theoretical predictions. For methane, our x-ray diffraction measurements are in agreement with the previously reported high-pressure structures and equation of state (EOS). Finally, we have determined the EOSs of ethane and methane, which provides a solid basis for the discussion of their relative stability at high pressures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Insights into the laser-assisted photoelectric effect from solid-state surfaces

Photoemission from a solid surface provides a wealth of information about its electronic structure and dynamic evolution. Ultrafast pump-probe experiments offer real-time access to photon-surface interactions and the resulting electron dynamics. Here, we present a femtosecond time-resolved photoelectron spectroscopy study of laser-assisted photoemission (LAPE) from two different metal surfaces, tungsten and platinum. Utilizing synchronized IR laser and x-ray pulses, photoelectron sideband generation up to the sixth order is observed. A significant material-dependent variation of the LAPE response has not been predicted by previous theoretical models, to the best of our knowledge. The observed phenomena are semiquantitatively reproduced by considering distinct dynamic dielectric responses of the two materials. In conclusion, these findings provide a deeper understanding of the LAPE process and insights into the dynamic interplay between optical laser fields and metal surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Advanced Structured Adsorbent Architectures for Transformative Carbon Dioxide Capture Performance (Final Report)

Svante is a world leader at using solid sorbents for low-cost Carbon Dioxide (CO 2 ) capture, a technology which is recognized as critical in meeting the dual mandates of energy security/reliability and the mitigation of man-made CO 2 emissions. Svante has been developing proprietary adsorbent material compositions, forming them into structured laminates, developing and optimizing process cycles, and system design for efficient capture of CO 2 from post-combustion flue gases of thermal power plants and industrial facilities. The deployment of first-generation CO 2 capture technology has been significantly hampered by high costs and energy penalties, among other barriers. Second generation CO 2 capture technologies (including the Mark I variant of Svante’s Veloxotherm™ adsorption-based technology), utilizing single adsorbent architecture, show promise for reducing the barriers to deploying CO 2 capture plants in commercially meaningful numbers. The objective of this project was to evaluate the Recipient’s transformational (Mark-II) VeloxoTherm™ Technology via the development and bench-scale testing of an advanced structured adsorbent, including novel Bi-layer, laminated adsorbent structures and segmented beds. Svante selected, synthesized, and characterized tailored solid adsorbents for computational modeling, advanced structured adsorbent development, process simulations, and dynamic bench scale (~1-10 kg/day CO 2 captured) testing using an existing single-bed VeloxoTherm™ Station (VTS) coupled with a natural gas-fired boiler. Segmented beds used the in-house, multi-bed Process Demonstration Unit (PDU) to demonstrate key performance indicators (KPIs), such as recovery, product purity, regeneration energy, and the integrated system's productivity in lifetime analysis. Segmented beds were used at a 1 tonne per day (TPD) unit at an industrial site to provide bench-scale validation of performance in an industrial setting. Svante was developing and optimizing the post-combustion CO 2 adsorption technology architectures, including the Bi-layer and segmented laminated adsorbent structure design, integrated rapid cycle temperature swing adsorption (RC-TSA) cycle, flow path architecture, and adsorbent bed construction and packaging (including gas porting) to progress towards achievement of DOE’s Transformational CO 2 Capture goals of 95% CO 2 purity and a cost of electricity at least 30% lower than a supercritical Pulverized Coal (PC) power plant with CO 2 capture, or approximately $30 per tonne of CO 2 captured ready for demonstration by 2030. The main requirements to reach the DOE target cost of carbon capture below $30/MT using Rapid-Cycling Temperature Swing Adsorption (RC-TSA) are as follows: (1) Increased capacity at different CO 2 concentrations, (2) Increased sorbents cycle life, (3) Increased O 2 resistance, and (4) Decreased steam requirement to extract 1 kg of CO 2 .

20 FOSSIL-FUELED POWER PLANTS↗
NASA NTRS1980

Thrust and ignition transients of the Space Shuttle solid rocket motor

Techniques developed for predicting and analyzing ignition, pressurization, and thrust transients in large segmented motors were applied to the four developmental Space Shuttle solid rocket motors. Following the first test, attention was focused on understanding dynamic thrust and the rate of thrust increase during pressurization and predicting effects of reduced igniter mass flow rate and gas temperature. The close coupling between the igniter and the head-end segment and the high length-to-diameter ratio make understanding of the longitudinal pressure waves essential. The igniter performance along with igniter to head-end segment geometry govern the induction interval and head-end segment ignition. Following ignition of the head-end segment, subsequent flame spreading and pressurization tend to be motor properties which are not appreciably altered by changes in the head-end igniter mass flow rate.

Caveny, L. H.↗
NASA NTRS1993

A Fine-Grid Model for the ASRM Aft Segment with Gimballed Nozzle

Results from computational fluid dynamic analyses for complex three-dimensional internal flows in the Advanced Solid Rocket Motor (ASRM) are presented. In particular, flow visualization and tabulated results from a fine-grid model consisting of 1.5 M grid points for the ASRM Aft Segment at the l9-second burn time with an 8-degree nozzle gimbal angle are shown. The results from this model will enable characterization of various aspects of the ASRM internal environment, and in particular will allow an assessment of the heat transfer and stresses exerted on the submerged nozzle, casing insulation, and nozzle case joint.

Reske, Edward J.↗
NASA NTRS1998

Low-Temperature Friction-Stir Welding of 2024 Aluminum

Solid state friction-stir welding (FSW) has been demonstrated to involve dynamic recrystallization producing ultra-fine, equiaxed grain structures to facilitate superplastic deformation as the welding or joining mechanism. However, the average residual, equiaxed, grain size in the weld zone has ranged from roughly 0.5 micron to slightly more than 10 micron, and the larger weld zone grain sizes have been characterized as residual or static grain growth as a consequence of the temperatures in the weld zone (where center-line temperatures in the FSW of 6061 Al have been shown to be as high as 480C or -0.8 T(sub M) where T(sub M) is the absolute melting temperature)). In addition, the average residual weld zone grain size has been observed to increase near the top of the weld, and to decrease with distance on either side of the weld-zone centerline, an d this corresponds roughly to temperature variations within the weld zone. The residual grain size also generally decreases with decreasing FSW tool rotation speed. These observations are consistent with the general rules for recrystallization where the recrystallized grain size decreases with increasing strain (or deformation) at constant strain rate, or with increasing strain-rate, or with increasing strain rate at constant strain; especially at lower ambient temperatures, (or annealing temperatures). Since the recrystallization temperature also decreases with increasing strain rate, the FSW process is somewhat complicated because the ambient temperature, the frictional heating fraction, and the adiabatic heating fraction )proportional to the product of strain and strain-rate) will all influence both the recrystallization and growth within the FSW zone. Significantly reducing the ambient temperature of the base metal or work pieces to be welded would be expected to reduce the residual weld-zone grain size. The practical consequences of this temperature reduction would be the achievement of low temperature welding. This study compares the residual grain sizes and microstructures in 2024 Al friction-stir welded at room temperature (about 30C and low temperature (-30C).

Benavides, S.↗
NASA NTRS2003

Compatibility Testing of Polymeric Materials for the Urine Processor Assembly (UPA) of International Space Station (ISS)

In the International Space Station (ISS), astronauts will convert urine into potable water with the Urine Processor Assembly (UPA) by a distillation process. The urine is pre-treated, containing flush water and stabilizers. About 2.5% solids in the urine are concentrated up to 16% brine through distillation. Dynamic mechanical analysis (DMA) in the stress relaxation mode was primarily used to test 15 polymeric UPA materials for compatibility with the pre-treated and brine solutions. There were concerns that chromium trioxide (CrO3), a stabilizer not in the original pre-treat formulation for similar compatibility testing in 2000, could have an adverse effect on these polymers. DMA testing is partially complete for polymeric material samples immersed in the two solutions at room temperature for as long as 200 days. By comparing each material (conditioned and virgin), the stress relaxation modulus (E) was determined for short-term use and predicted for as long as a 10-year use in space. Such a delta E showed a decrease of as much as 79% for a Nylon material, but an increase as much as 454% for a polysulfone material, with increasing immersion time.

Wingard, Charles D.↗
NASA NTRS2004

Narrow Scale Flow and a Weak Field by the Top of Earth's Core: Evidence from Orsted, Magsat and Secular Variation

As Earth's main magnetic field weakens, our magnetic shield against the onslaught of the solar wind thins. And the field strength needed to fend off battering by solar coronal mass ejections is decreasing, just when the delicate complexity of modem, vulnerable, electro-technological systems is increasing at an unprecedented rate. Recently, a working group of distinguished scientist from across the nation has asked NASA's Solid Earth and Natural Hazards program a key question: What are the dynamics of Earth s magnetic field and its interactions with the Earth system? Paleomagnetic studies of crustal rocks magnetized in the geologic past reveal that polarity reversals have occurred many times during Earth s history. Networked super-computer simulations of core field and flow, including effects of gravitational, pressure, rotational Coriolis, magnetic and viscous forces, suggest how this might happen in detail. And space-based measurements of the real, time-varying magnetic field help constrain estimates of the speed and direction of fluid iron flowing near the top of the core and enable tests of some hypotheses about such flow. Now scientists at NASA s Goddard Space Flight Center have developed and applied methods to test the hypotheses of narrow scale flow and of a dynamically weak magnetic field near the top of Earth s core. Using two completely different methods, C. V. Voorhies has shown these hypotheses lead to specific theoretical forms for the "spectrum" of Earth s main magnetic field and the spectrum of its rate of change. Much as solar physicists use a prism to separate sunlight into its spectrum, from long wavelength red to short wavelength blue light, geophysicists use a digital prism, spherical harmonic analysis, to separate the measured geomagnetic field into its spectrum, from long to short wavelength fields. They do this for the rate of change of the field as well.

Voorhies, Coerte V.↗
NASA NTRS2008

Regional Similarity of Leveed Lava Flows on the Mars Plains

The dynamics of lava flow movement are controlled by the fluid interior. Crust, solids, and nondeformable material can only retard the advance or spreading of a lava flow. Figure 1 shows a typical large, channelized lava flow found on the Mars plains. It has been suggested in [I] that such large leveed flows on the Mars plains were emplaced by a balance between the formation and shedding of crust as the flow advances. For the prototypical flow north of Pavonis Mons (Fig. I), such a balance leads to a flow morphology that approximately self-replicates at all locations along the flow path [2,3]. Moreover, most quantitative characteristics of emplacement (e.g., viscosity, volumetric flow rate) of the prototype flow at Pavonis Mons resembled those of large channelized lava flows on Earth. The exception was the relatively long, sustained supply of lava, on the order of a year as opposed to hours or days for terrestrial analogs.

Baloga, Steve M.↗
NASA NTRSDate not supplied

MAGIC Mission Science and Applications Related to Cryosphere, Solid Earth and Neutral Atmosphere

The GRACE and GFO missions have revolutionised our understanding of mass movement at and below the surface of the Earth but they, nonetheless, have restrictions related to spatial and temporal resolution and instrument sensitivity that limits our ability to resolve certain processes. In this presentation we focus on the advances and capabilities that the proposed Mass change And Geosciences International Constellation (MAGIC) mission will deliver for cryosphere and solid Earth applications and will also consider the potential it will have for studying the neutral atmosphere. The time-varying gravity missions to date have had an effective spatial resolution of ~300 km, which is larger than the scale of any glacier or ice caps and larger than most catchments on the Greenland Ice Sheet. Even over Antarctica, the limited spatial resolution is a major limitation for regions such as the Antarctic Peninsula. Tectonic process, such as Earthquakes, volcanic activity and even viscous mantle flow can take place on scales smaller than can be resolved currently. The target resolution and accuracy for MAGIC over ice is 170 km at 2.6 mm/yr EWH over the long term and 250 km at 5.5 mm EWH at monthly resolution plus lower accuracy daily to weekly capabilities. We consider here what this means for understanding and observing ice mass exchange with the oceans and improving our ability to measure the manometric contribution to sea level rise. Based on similar targets, we also explore the improvements this offers for monitoring different types of solid Earth processes including geohazards, crustal evolution and deep interior properties and dynamics. We also consider what contributions MAGIC will be able to make to observations of thermosphere neutral density and related atmospheric parameters.

Jonathan Bamber↗
NASA NTRSDate not supplied

NASA Support for Commercial Crew Launch Capabilities

Since the earliest days of U.S. human spaceflight, NASA’s Marshall Space Flight Center in Huntsville, Alabama, has played a key role in American crew launch capability, from engineering support for the first Mercury-Redstone launches, to the Saturn launches to the Moon, through Shuttle and now Artemis. Today, Marshall brings that expertise gained through decades of crewed space launches to NASA’s Commercial Crew Program (CCP), providing launch vehicle engineering and programmatic support. The team’s responsibilities have included human certification of commercial launch systems for the CCP missions, including Atlas V and Falcon 9, and verifying each launch vehicle complies with flight certification. MSFC provides expertise in nearly all aspects of launch vehicle design and performance including solid motors and liquid engines, stage propulsion, thrust vector control, structural and dynamics, safety and mission assurance. During each commercial crew launch, an engineering support team is on console at Marshall’s Huntsville Operations Support Center, which has provided launch operations support since Apollo, providing real-time oversight to safety standards for the vehicle and verifying data. Launch vehicle support for Commercial Crew has come as a paradigm shift for the MSFC team, inspiring new approaches that leverage expertise and best practices from past NASA-developed launch vehicle missions, while at the same time providing new synergies from work with commercial partners on CCP. This paper will explore the role that the Marshall launch vehicle services team plays in the Commercial Crew Program, as well as lessons learned from the program that will continue to benefit a new era of spaceflight partnerships.

Commercial Crew↗
DOE OSTI2021

Two-Dimensional and Three-Dimensional Tetrel-Arsenide Frameworks Templated by Li and Cs Cations

Two new ternary tetrel pnictide phases, Li 1.08 Ge 4.92 As 7 and Cs 0.11 Zn 0.05 Si 0.95 As, have been synthesized. Both compounds crystallize in new structure types, which demonstrate the flexibility of Ge(Si)–As layers when accommodating electropositive cations of various sizes. Li 1.08 Ge 4.92 As 7 displays a Ge-As layer motif that has not been observed in ternary Ge-As systems, while Cs 0.11 Zn 0.05 Si 0.95 As exhibits a 3D framework composed of fragments of the 2D parent-phase SiAs. For Li 1.08 Ge 4.92 As 7 , a combination of computational modeling and solid-state 7 Li MAS NMR was used to establish the correct crystal structure with one mixed occupied Ge/Li site. The compositions of the phases were confirmed through energy-dispersive X-ray spectroscopy. Transport properties and UV–Vis spectroscopy reveal both reported compounds to be semiconductors. Cs 0.11 Zn 0.05 Si 0.95 As shows high thermal stability with congruent melting at 1300 K and an exceptionally low thermal conductivity of 0.5 W m –1 K –1 at 300 K. Temperature-dependent Li-ion hopping dynamics in Li 1.08 Ge 4.92 As 7 was characterized using 7 Li solid-state NMR.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Critical Role of Anion–Solvent Interactions for Dynamics of Solvent-in-Salt Solutions

Most polar solvent molecules are unstable toward electrode materials used in Li-based batteries. Solid electrolytes and ionic liquids are far more stable; however, they have relatively low conductivity, and therefore electrical energy storage devices based on them would suffer from low power. Solvent-in-salt (SIS) systems combine chemical stability with relatively high conductivity. Here, we show how the nature of the employed anion affects the structure and dynamics of SIS systems. The transport of ions in lithium bis(fluorosulfonyl)imide (Li-FSI) systems was determined to be always faster than that in lithium bis(trifluoromethanesulfonyl)imide (Li-TFSI) systems. Moreover, we found that viscosity does not solely control conductivity and that the lower conductivity of TFSI – solutions is related to their stronger interaction with the solvent. This restricts solvent dynamics and slows down ion motions compared to that of FSI – . Interestingly, the TFSI–solvent interaction also leads to better charge separation (weaker ion–ion correlations) and a higher transference number for Li. Finally, our results suggest that the ability to tune the solvent network formed around the anions may further improve electrolyte conductivity and Li transference number for safer and more efficient energy storage devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2023

A Review on the Coalescence of Confined Drops with a Focus on Scaling Laws for the Growth of the Liquid Bridge

The surface–tension-driven coalescence of drops has been extensively studied because of the omnipresence of the phenomenon and its significance in various natural and engineering systems. When two drops come into contact, a liquid bridge is formed between them and then grows in its lateral dimensions. As a result, the two drops merge to become a bigger drop. The growth dynamics of the bridge are governed by a balance between the driving force and the viscous and inertial resistances of involved liquids, and it is usually represented by power–law scaling relations on the temporal evolution of the bridge dimension. Such scaling laws have been well-characterized for the coalescence of unconfined or freely suspended drops. However, drops are often confined by solid or liquid surfaces and thus are a different shape from spheres, which affects their coalescence dynamics. As such, the coalescence of confined drops poses more complicated interfacial fluid dynamics challenges compared to that of unconfined drops. Although there have been several studies on the coalescence of confined drops, they have not been systematically reviewed in terms of the properties and geometry of the confining surface. Thus, we aim to review the current literature on the coalescence of confined drops in three categories: drop coalescence on a solid surface, drop coalescence on a deformable surface, and drop coalescence between two parallel surfaces with a small gap (i.e., Hele-Shaw cell), with a focus on power–law scaling relations, and to suggest challenges and outlooks for future research on the phenomena.

Sangjin Ryu↗
DOE OSTI2024

Ligand Controls Excited Charge Carrier Dynamics in Metal-Rich CdSe Quantum Dots: Computational Insights

Small metal-rich semiconducting quantum dots (QDs) are promising for solid-state lighting and single-photon emission due to their highly tunable yet narrow emission line widths. Nonetheless, the anionic ligands commonly employed to passivate these QDs exert a substantial influence on the optoelectronic characteristics, primarily owing to strong electron–phonon interactions. In this work, we combine time-domain density functional theory and nonadiabatic molecular dynamics to investigate the excited charge carrier dynamics of Cd 28 Se 17 X 22 QDs (X = HCOO – , OH – , Cl – , and SH – ) at ambient conditions. These chemically distinct but regularly used molecular groups influence the dynamic surface-ligand interfacial interactions in Cd-rich QDs, drastically modifying their vibrational characteristics. The strong electron–phonon coupling leads to substantial transient variations at the band edge states. The strength of these interactions closely depends on the physicochemical characteristics of passivating ligands. Consequently, the ligands largely control the nonradiative recombination rates and emission characteristics in these QDs. Our simulations indicate that Cd 28 Se 17 (OH) 22 has the fastest nonradiative recombination rate due to the strongest electron–phonon interactions. Conversely, QDs passivated with thiolate or chloride exhibit considerably longer carrier lifetimes and suppressed nonradiative processes. The ligand-controlled electron–phonon interactions further give rise to the broadest and narrowest intrinsic optical line widths for OH and Cl-passivated single QDs, respectively. Finally, obtained computational insights lay the groundwork for designing appropriate passivating ligands on metal-rich QDs, making them suitable for a wide range of applications, from blue LEDs to quantum emitters.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A new approach to study adsorption on shales and other microporous solids via the thermogravimetric analysis (TGA) technique

Measuring the adsorption of gases in microporous solids like the shales requires accurate knowledge of the solid’s skeletal volume. Helium (He) is commonly used to determine the sample’s skeletal volume based on the assumption that it does not adsorb in these porous media. The validity of such an assumption for microporous solids has been questioned in recent years, and in this study, we show that it is not applicable for the shale sample studied. We present a new method to measure the adsorption of shale-gas components in shales, which does not require the use of He to measure the solid’s skeletal volume. Since the proposed analysis method relies on the use of dynamic adsorption data, we also propose here a new zero-point correction method for the magnetic suspension balance, which is better suited for the analysis of such data. Here, we employ the new technique to the study of Argon adsorption in Marcellus Shales.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗