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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

X-Ray Photoelectron Spectroscopy Study of the Heating Effects on Pd/6H-SiC Schottky Structure

X-ray photoelectron spectroscopy is used to study the effects of heat treatment on the Pd/6H-SiC Schottky diode structure. After heating the structure at 425 C for 140 h, a very thin surface layer of PdO mixed with SiO(x) formed on the palladium surface of the Schottky structure. Heat treatment promoted interfacial diffusion and reaction which significantly broadened the interfacial region. In the interfacial region, the palladium concentration decreases with depth, and the interfacial products are Pd(x)Si (x = 1,2,3,4). In the high Pd concentration regions, Pd4Si is the major silicide component while gr and Pd2Si are major components in the low Pd concentration region. At the center of the interface, where the total palladium concentration equals that of silicon, the concentrations of palladium associated with various palladium silicides (Pd(x)Si, x= 1,2,3,4) are approximately equal. The surface passivation layer composed of PdO and SiO, may significantly affect the electronic and catalytic properties of the surface of the Schottky diode which plays a major role in gas detection. The electronic properties of the Schottky structure may be dominated by a (Pd+Pd(x)Si)/SiC interface. In order to stabilize the properties of the Schottky structure the surface and interface diffusion and reactions must be controlled.

Chen, Liang-Yu↗
NASA NTRS1998

Traces of Catastrophe: A Handbook of Shock-Metamorphic Effects in Terrestrial Meteorite Impact Structures

This handbook of Shock-Metamorphic Effects in Terrestrial Meteorite Impact Structures emphasizes terrestrial impact structures, field geology, and particularly the recognition and petrographic study of shock-metamorphic effects in terrestrial rocks. Individual chapters include: 1) Landscapes with Craters: Meteorite Impacts, Earth, and the Solar System; 2) Target Earth: Present, Past and Future; 3) Formation of Impact Craters; 4) Shock-Metamorphic Effects in Rocks and Minerals; 5) Shock-Metamorphosed Rocks (Impactities) in Impact Structures; 6) Impact Melts; 7) How to Find Impact Structures; and 8) What Next? Current Problems and Future Investigations.

French, Bevan M.↗
DOE OSTI2022

Molecular structure and catalytic promotional effect of Mn on supported Na 2 WO 4 /SiO 2 catalysts for oxidative coupling of methane (OCM) reaction

The structure and promotional effect of Mn in supported Mn-Na 2 WO 4 /SiO 2 catalysts for the oxidative coupling of methane (OCM) reaction has been debated for a longtime in the literature. In the current investigation, with the aid of multiple in-situ characterization studies, we show that the freshly calcined supported 1.2Mn-5Na 2 WO 4 /SiO 2 catalyst possesses crystalline Na 2 WO 4 , Mn 2 O 3 and SiO 2 (cristobalite phase) along with surface MnO x and Na-WO x sites at low temperature and oxidizing environments. Under the OCM reaction environment (T>800°C), the crystalline Na 2 WO 4 phase melts and Mn 2 O 3 phase reduces. In contrast, the surface MnO x and Na-WO x sites exhibit excellent thermal and chemical stability. Exposure of the 1.2Mn-5Na 2 WO 4 /SiO 2 catalyst to the OCM reaction environment redisperses the molten Na 2 WO 4 phase on the SiO 2 support to form new surface WO x sites. Interestingly, the stable MnO x species interacts with both molten Na 2 WO 4 phase and surface Na-WO x sites during OCM reaction. Controlled transient kinetic experiments in TAP and detailed steady state OCM fixed-bed reaction studies reveal the role and promotional effect of Mn in the 1.2Mn-5Na 2 WO 4 /SiO 2 catalyst. The W-oxides (both molten Na 2 WO 4 and surface Na-WO x sites) are the active sites for the catalytic OCM reaction and the MnO x species only function as promoters. The promotion of MnO x strongly depends on the gas phase O 2 partial pressure and the MnO x species act as mediators for oxygen exchange between the gas phase molecular O 2 and catalyst lattice oxygen. In conclusion, the temperature dependent MnO x promotion reveals that the MnO x species selectively promote the molten Na 2 WO 4 phase at lower reaction temperature and the surface Na-WO x sites at higher temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Finite-size effects in the static structure factor S ( k ) and S ( 0 ) for a two-dimensional Yukawa liquid

Finite-size effects in the static structure factor S(k) are analyzed for an amorphous substance. As the number of particles is reduced, S(0) increases greatly, up to an order of magnitude. Meanwhile, there is a decrease in the height of the first peak S peak. These finite-size effects are modeled accurately by the Binder formula for S(0) and our empirical formula for S peak. Procedures are suggested to correct for finite-size effects in S(k) data and in the hyperuniformity index H ≡ S(0)/S peak. These principles generally apply to S(k) obtained from particle positions in noncrystalline substances. As a result, the amorphous substance we simulate is a two-dimensional liquid, with a soft Yukawa interaction modeling a dusty plasma experiment.

2-dimensional systems↗
DOE OSTI2025

Peeking into the next decade in large-scale structure cosmology with its Effective Field Theory

After the successful full-shape analyses of BOSS data using the Effective Field Theory of Large-Scale Structure, we investigate what upcoming galaxy surveys might achieve. We introduce a “perturbativity prior” that ensures that loop terms are as large as theoretically expected, which is effective in the case of a large number of EFT parameters. After validating our technique by comparison with already-performed analyses of BOSS data, we provide Fisher forecasts using the one-loop prediction for power spectrum and bispectrum for two benchmark surveys: DESI and MegaMapper. We find overall great improvements on the cosmological parameters. In particular, we find that MegaMapper (DESI) should obtain at least a 12σ (2σ) evidence for non-vanishing neutrino masses, bound the curvature Ω k to 0.0012 (0.012), and primordial inflationary non-Gaussianities as follows: f NL loc. to ± 0.26 (3.3), f NL eq. to ±16 (92), f NL orth. to ± 4.2 (27). Such measurements would provide much insight on the theory of Inflation. We investigate the limiting factor of shot noise and ignorance of the EFT parameters.

cosmological parameters from LSS↗
NASA NTRS1978

Experimental studies of effects of tilt and structural asymmetry on vibration characteristics of thin-wall circular cylinders partly filled with liquid

The effects of tilt and structural asymmetry on the vibration characteristics of partly liquid-filled thin-wall cylinders were experimentally studied. It was found that tilting the longitudinal axis of a partly filled axisymmetric cylinder from the vertical could markedly reduce its resonant frequencies and change significantly the shape of the circumferential modes. For the minimum frequency modes, vibratory motion occurred only on that side of the cylinder where the liquid was deepest. An empirical equation was derived that gives the equivalent liquid depth of an untilted cylinder having the same minimum resonant frequency as a tilted, partly filled cylinder. Circumferential mode shapes of an untilted asymmetric cylinder were similar to those of the tilted, partly filled axisymmetric cylinder. Vibratory motion in the minimum frequency modes occurred in most instances only on the side of minimum thickness. Correlation between test data and results from a reformulated NASTRAN hydroelastic analysis was excellent.

Herr, R. W.↗
NASA NTRS1981

Low-velocity impact tests on fibrous composite sandwich structures

The effect of low-velocity projectile impact on the load-carrying ability of the composite sandwich structural components is investigated experimentally, the impact simulating the damage caused by runway debris and the accidental dropping of hand tools during servicing on secondary aircraft structures made with composites. The sandwich-type beam specimens were fabricated with graphite/epoxy face sheets, aluminum honeycomb core, and a steel (back) plate. A four-point beam-loading apparatus was used, and the ultimate strength, ultimate strain, and residual strength of the composites were determined. A faired curve is presented indicating the lower bound of the failure threshold for each of the laminate configurations tested in compression and tension as a function of the projectile impact energy. It is shown that strength degradation due to impact is dependent on the laminate configuration and the fiber/matrix combination. The laminates having more angle plies near the impact surface and unidirectional plies elsewhere seem to show extensive interply and intraply fiber delaminations at failure relative to the laminates with a cross-ply on the impact surface.

Sharma, A. V.↗
DOE OSTI2019

Polypyrrole-encapsulated amorphous Bi 2 S 3 hollow sphere for long life sodium ion batteries and lithium–sulfur batteries

Sodium ion batteries (SIBs) and lithium–sulfur (Li–S) batteries are considered as the most enticing next-generation energy storage devices to displace the widely used lithium ion batteries due to their inherent advantages. In this work, polypyrrole-encapsulated amorphous Bi 2 S 3 hollow spheres are prepared by the sulfuration of Bi–glycol spheres with a polypyrrole (PPy) coating. Benefiting from the unique hollow structure (Kirkendall effect) and the excellent conductivity and flexibility of the PPy coating, this material can be applied in both SIBs and Li–S batteries. For SIBs, the unconductive amorphous Bi 2 S 3 is electrochemically reduced to conductive metallic Bi, leading to a Bi–PPy core–shell structure. The resulting Bi acts as the main active material while the PPy coating accommodates the volume variation of Bi during sodiation/desodiation. For Li–S batteries, the outer double layer structure effectively prevents the dissolution and “shuttle effect” of polysulfides by physically containing and chemically adsorbing polysulfides, and tolerates the volume expansion of sulfur. Meanwhile, the residual polyvinyl pyrrolidone in the preparation process is chemically bonded with sulfur and exhibits the electrochemical properties, and results in additional discharging/charging capacity. Hence, this multifunctional electrode shows excellent rate capability and cycling life in SIBs and Li–S batteries. This research allows new insight into the design of multifunctional electrodes.

25 ENERGY STORAGE↗
DOE OSTI2021

Effects of fluorinated solvents on electrolyte solvation structures and electrode/electrolyte interphases for lithium metal batteries

Electrolyte is very critical to the performance of the high-voltage lithium (Li) metal battery (LMB), which is one of the most attractive candidates for the next generation high-density energy storage systems. Electrolyte formulation and structure determine the physical properties of the electrolytes and their interfacial chemistries on the electrode surfaces. Localized high-concentration electrolytes (LHCEs) outperform state-of-the-art carbonate electrolytes in many aspects in LMBs due to their unique solvation structure. Types of fluorinated co-solvents used in LHCEs are investigated here in searching for the most suitable diluent for high concentration electrolytes (HCEs). Non-solvating solvents (including fluorinated ethers, fluorinated borate and fluorinated orthoformate) added in HCEs enable the formation of LHCEs with high-concentration solvation structures. However, low solvating fluorinated carbonate will coordinate with Li+ ions and form a second solvation shell or a pseudo-LHCE which diminishes the benefits of LHCE. In addition, it is evident that the diluent has significant influence on the electrode/electrolyte interphases (EEIs) beyond retaining the high-concentration solvation structures. Diluent molecules surrounding the high-concentration clusters could accelerate or decelerate the anion decomposition through co-participation of diluent decomposition in the EEI formation. The varied interphase features lead to significantly different battery-performance. This study points out the importance of diluents and their synergetic effects with the conductive salt and the solvating solvent in designing LHCEs. These systematic comparisons and fundamental insights into LHCEs using different types of fluorinated solvents can guide further development of advanced electrolytes for high-voltage LMBs.

Cao, Xia↗
DOE OSTI2019

The effects of ultra-fine-grained structure and cryogenic temperature on adiabatic shear localization in titanium

The deformation at low temperatures (173 K and 77 K) in ultrafine-grained (100 and 500 nm) titanium is investigated and its effect on adiabatic shear localization is established. In comparison with coarse grained titanium, the strength of ultrafine-grained titanium is higher due to the classic Hall-Petch effect while the strain hardening approaches zero. Our results show that shear localization in dynamic deformation is also altered. The width of the shear band of coarse-grained titanium decreases from 30 to 18 mm (by 40%) with decreasing the initial deformation temperature to 77 K. In contrast, for 100 nm titanium, the width of shear band decreases more significantly, from 4 mmat room temperature to 1 mm (a 75% decrease) at 77 K. This difference is attributed to the combined effects of the decrease in the thermal conductivity and specific heat capacity, and the increase in thermal softening rate. These changes in the width are consistent with the predictions of the Grady and Bai-Dodd theories. Ultrafine- and nanorecrystallized grains are observed inside the bands which are dependent on initial grain size and initial deformation temperature. Here, the dislocation evolution is evaluated for the different conditions using a Kocks-Mecking formulation; the rotational dynamic recrystallization mechanism responsible for forming the ultrafine/nanosized grains (40-250 nm) is successfully modeled incorporating the differences in initial temperature and grain size. Our results and analysis are important in enhancing the understanding of the structural evolution processes under high strain-rates and cryogenic temperatures.

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

Effect of Branch Length on the Structural and Separation Properties of Hyperbranched Poly(1,3-dioxolane)

Polymers containing poly(ethylene oxide) (PEO) demonstrate superior membrane CO 2 /N 2 separation properties owing to their polar ether oxygen groups exhibiting strong affinity toward CO2. Poly(1,3-dioxolane) (PDXL) shows an ether oxygen content higher than PEO and is expected to have higher CO 2 /N 2 solubility selectivity. However, similar to PEO, the high crystallinity of PDXL greatly reduces its gas permeability. Herein, amorphous PDXL-based hyperbranched polymers were synthesized by ring opening of 1,3-dioxolane (DXL) to form poly(1,3-dioxolane) acrylate (DXLAn) followed by photopolymerization. The repeating unit of DXL (n) or branch length was systematically varied from 4 to 12 to yield amorphous polymers. The chemical and physical properties of the obtained polymers (PDXLAn) were thoroughly evaluated and used to interpret pure- and mixed-gas transport characteristics. The polymers exhibit attractive CO 2 /N 2 and CO 2 /CH 4 separation properties. For example, PDXLA8 exhibits a CO 2 permeability of 220 Barrer and CO 2 /N 2 selectivity of 56 at 35 °C, surpassing Robeson’s 2008 upper bound, and it shows robust separation performance when evaluated with simulated flue gas at 60 °C. This study demonstrates that hyperbranched structures are an effective route to construct amorphous yet highly polar polymers and that chain end groups are instrumental in determining the structural and gas transport characteristics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Structural origin of size effect on piezoelectric performance of Pb(Zr,Ti)O 3

Grain size effect plays a vital role in piezoelectric performance from both scientific and technological view. However, the underlying structural mechanism related to grain size is still unclear. In the present study, the structural mechanism of grain size effect on piezoelectric performance has been revealed in the prototype Pb(Zr, Ti)O 3 system by using in-situ synchrotron X-ray diffraction. The miniaturization of grain size tends to favor the appearance of higher symmetric tetragonal phase, while a single monoclinic phase is determined in the coarse-grained ceramics. The direct structural evidence reveals that both tetragonal and monoclinic phases in the fine-grained ceramics are less sensitive to the electric field, corresponding to the inferior piezoelectric performance, while the single monoclinic phase in the coarse-grained ceramics is more active to be driven by the electric field, generating good piezoelectric behavior. Both domain switching ability and lattice strain are suppressed with decreasing grain size, which directly leads to the deterioration in piezoelectric performance. In conclusion, the current results will benefit the structural understanding of the size effect of piezoelectric and other related systems.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effect of Basicity and Structure on the Hydration of Protonated Molecules, Proton-Bound Dimer and Cluster Formation: An Ion Mobility-Time of Flight Mass Spectrometry and Theoretical Study

Protonation, hydration, and cluster formation of ammonia, formaldehyde, formic acid, acetone, butanone, 2-ocatanone, 2-nonanone, acetophenone, ethanol, pyridine, and its derivatives were studied by IMS-TOFMS technique equipped with a corona discharge ion source. It was found that tendency of the protonated molecules, MH{sup +}, to participate in hydration or cluster formation depends on the basicity of M. The molecules with higher basicity were hydrated less than those with lower basicity. The mass spectra of the low basic molecules such as formaldehyde exhibited larger clusters of M{sub n}H{sup +}(H{sub 2}O){sub n}, while for compounds with high basicity such as pyridine, only MH{sup +} and MH{sup +}M peaks were observed. The results of DFT calculations show that enthalpies of hydrations and cluster formation decrease as basicities of the molecules increases. Using comparison of mass spectra of formic acid, formaldehyde, and ethanol, effect of structure on the cluster formation was also investigated. Formation of symmetric (MH{sup +}M) and asymmetric proton-bound dimers (MH{sup +}N) was studied by ion mobility and mass spectrometry techniques. Both theoretical and experimental results show that asymmetric dimers are formed more easily between molecules (M and N) with comparable basicity. As the basicity difference between M and N increases, the enthalpy of MH{sup +}N formation decreases. .

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1981

Modeling and control of flexible space structures

The effects of actuator and sensor locations on transfer function zeros are investigated, using uniform bars and beams as generic models of flexible space structures. It is shown how finite element codes may be used directly to calculate transfer function zeros. The impulse response predicted by finite-dimensional models is compared with the exact impulse response predicted by the infinite dimensional models. It is shown that some flexible structures behave as if there were a direct transmission between actuator and sensor (equal numbers of zeros and poles in the transfer function). Finally, natural damping models for a vibrating beam are investigated since natural damping has a strong influence on the appropriate active control logic for a flexible structure.

Wie, B.↗
NASA NTRS2007

Simulation Studies of the Effect of Forest Spatial Structure on InSAR Signature

The height of scattering phase retrieved from InSAR data is considered being correlated with the tree height and the spatial structure of the forest stand. Though some researchers have used simple backscattering models to estimate tree height from the height of scattering center, the effect of forest spatial structure on InSAR data is not well understood yet. A three-dimensional coherent radar backscattering model for forest canopies based on realistic three-dimensional scene was used to investigate the effect in this paper. The realistic spatial structure of forest canopies was established either by field measurements (stem map) or through use of forest growth model. Field measurements or a forest growth model parameterized using local environmental parameters provides information of forest species composition and tree sizes in certain growth phases. A fractal tree model (L-system) was used to simulate individual 3- D tree structure of different ages or heights. Trees were positioned in a stand in certain patterns resulting in a 3-D medium of discrete scatterers. The radar coherent backscatter model took the 3-D forest scene as input and simulates the coherent radar backscattering signature. Interferometric SAR images of 3D scenes were simulated and heights of scattering phase centers were estimated from the simulated InSAR data. The effects of tree height, crown cover, crown depth, and the spatial distribution patterns of trees on the scattering phase center were analyzed. The results will be presented in the paper.

Sun, Guoqing↗