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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

Measurement of damping of graphite epoxy materials

The design of an experiment to measure the damping of a cylindrical graphite-epoxy specimen with a three point support and a knife edge support is described as well as equipment used in tests conducted to determine the influence of the support at the two ends of the specimen and to simulate an idealized free-free boundary condition at the two edges. A curve fitting technique is being used to process the frequency response data obtained. Experiments conducted on the thin plate specimen also reveal the influence of the end support condition on the damping ratio of the specimen. The damping ratio values measured for both specimens appear to be strongly influenced by the shape of the specimen and appear to depend on length and fiber orientation as well as the presence of discontinuities such as sharp bends, corners, and notches.

Crocker, M. J.↗
DOE OSTI2022

Molecular Functionalization of Semiconductor Surfaces

The presence of molecules on semiconductor surfaces can have a profound impact on their properties and applications in solar energy conversion. In this chapter we discuss the methods used to effect functionalization of semiconductor surfaces with molecular dipoles and catalysts. A major focus is the energetic impacts such molecules have to the fields at the semiconductor|contact interface. These field modulations are strongly dependent on the nature of the surface-bound molecule including its dipole moment and orientation as well as the distance of the dipole from the semiconductor surface. The contacting phase also has a strong impact on the energetics, since ions in the liquid electrolytes relevant to inorganic photochemistry partially screen dipolar effects at the surface. In addition to detailed description of these fundamentals, we present the history of this field as well as state-of-the-art chemistries that leverage the preceding decades of knowledge to impart the molecular interfacial layer with dynamic properties such as light absorption and catalysis. The challenges of establishing stable molecular attachment schemes at semiconductor|electrolyte interfaces are interwoven throughout the chapter. We conclude with a prognosis and future outlook that we hope will be a useful guide to those interested in developing the next generation of molecular chemistries at photoelectrode interfaces.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS,I↗
DOE OSTI2020

Molecular scale insight of pore morphology relation with mechanical properties of amorphous silica using ReaxFF

Porous materials are typically heterogeneous and they contain large variations of micro-/nano-pore structures, causing complicated behaviors. In continuum models, most mechanical properties of porous materials are estimated based on porosity, while the variations of micro/nano structures are ignored. That could be problematic as the microscopic heterogeneity may affect the mechanical response of porous materials. Thus, understanding micro/nano heterogeneity impact has been the focus in many scientific and engineering subjects. In the present study, we investigated the effect of nanopore structure (including pore shape and orientation) as well as porosity on mechanical properties of amorphous silica (a-SiO 2 ). The pore sizes in our simulations are comparable to the corresponding ones observed in a-SiO 2 based materials. We found that the existing of nanopores strongly influences Young’s modulus (E) and critical energy release rate (G IC ). These properties decrease with increasing porosity. Importantly, the impact of nanopores was characterized by structural parameters of porous materials. In addition to dependency on porosity, Young’s modulus also was found to vary as a function of potential energy per atom, which highly depends on nanopore shape. Furthermore, critical energy release rate was found to increase with increasing ligament length (also known as pore wall thickness). Finally, the results highlighted the importance of nanopore structures, which must be taken into account when studying fracture mechanisms in porous materials. Based on our findings, it was proposed that mechanical properties of porous materials can be controlled by nano-engineering pore structures.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Capture efficiency and bias from the defect dynamics near grain boundaries in BCC Fe using mesoscale simulations

The capture efficiency describes the capability of a sink, such as a grain boundary (GB), dislocation, and void, to absorb point defects (PDs). The bias defines the difference in capture efficiency between the absorption of a vacancy and dumbbell at a sink. Complete kinetic information on PDs, including diffusion barriers and diffusion orientations, as well as accurate saddle points, are needed to determine the capture efficiency and bias at a sink accurately, which is computationally demanding. Here, in the present study, the Self-Evolving Atomistic Kinetic Monte Carlo (SEAKMC) method was used to investigate the defect dynamics of PDs near different types of grain boundaries (GBs) (with both $\langle$100$\rangle$ and $\langle$110$\rangle$ families) accurately in body-centered cubic (BCC) iron (Fe). The capture efficiency, sink strength, and bias factor of different types of GBs were determined in Fe, which, different from traditional rate theory estimation, showed a distinct capture efficiency, sink strength, and bias in different GBs. The results demonstrate a strong positive correlation between the capture efficiency and the GB strain width, instead of the GB misorientation, GB energy, or GB-PD binding energy, which have been investigated previously. This work provides valuable insight into the radiation-induced microstructural evolution of GBs.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Dual Atomic Coherence in the Self-Assembly of Patchy Heterostructural Nanocrystals

Advances in the synthesis and self-assembly of nanocrystals have enabled researchers to create a plethora of different nanoparticle superlattices. But while many super lattices with complex types of translational order have been realized, rotational order of nanoparticle building blocks within the lattice is more difficult to achieve. Self-assembled superstructures with atomically coherent nanocrystal lattices, which are desirable due to their exceptional electronic and optical properties, have been fabricated only for a few selected systems. Here, we combine experiments with molecular dynamics (MD) simulations to study the self-assembly of heterostructural nanocrystals (HNCs), consisting of a near-spherical quantum dot (QD) host decorated with a small number of epitaxially grown gold nanocrystal (Au NC) "patches ". Self-assembly of these HNCs results in face-centered-cubic (fcc) superlattices with well-defined orientational relationships between the atomic lattices of both QD hosts and Au patches. MD simulations indicate that the observed dual atomic coherence is linked to the number, size, and relative positions of gold patches. Here this study provides a strategy for the design and fabrication of NC superlattices with large structural complexity and delicate orientational order.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Small-pore hydridic frameworks store densely packed hydrogen

Nanoporous materials have attracted great attention for gas storage, but achieving high volumetric storage capacity remains a challenge. Here, by using neutron powder diffraction, volumetric gas adsorption, inelastic neutron scattering and first-principles calculations, we investigate a magnesium borohydride framework that has small pores and a partially negatively charged non-flat interior for hydrogen and nitrogen uptake. Hydrogen and nitrogen occupy distinctly different adsorption sites in the pores, with very different limiting capacities of 2.33 H 2 and 0.66 N 2 per Mg(BH 4 ) 2 . Molecular hydrogen is packed extremely densely, with about twice the density of liquid hydrogen (144 g H 2 per litre of pore volume). We found a penta-dihydrogen cluster where H 2 molecules in one position have rotational freedom, whereas H 2 molecules in another position have a well-defined orientation and a directional interaction with the framework. This study reveals that densely packed hydrogen can be stabilized in small-pore materials at ambient pressures.

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

Symmetry-specific characterization of bond orientation order in DNA-assembled nanoparticle lattices

Bond-orientational order in DNA-assembled nanoparticles lattices is explored with the help of recently introduced Symmetry-specific Bond Order Parameters (SymBOPs). Here, this approach provides a more sensitive analysis of local order than traditional scalar BOPs, facilitating the identification of coherent domains at the single bond level. The present study expands the method initially developed for assemblies of anisotropic particles to the isotropic ones or cases where particle orientation information is unavailable. The SymBOP analysis was applied to experiments on DNA-frame-based assembly of nanoparticle lattices. It proved highly sensitive in identifying coherent crystalline domains with different orientations, as well as detecting topological defects, such as dislocations. Furthermore, the analysis distinguishes individual sublattices within a single crystalline domain, such as pair of interpenetrating FCC lattices within a cubic diamond. The results underscore the versatility and robustness of SymBOPs in characterizing ordering phenomena, making them valuable tools for investigating structural properties in various systems.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Surface stability and H adsorption and diffusion near surfaces of W borides: a first-principles study

Abstract Understanding the behavior of tungsten boride (W x B y ) surfaces in a fusion reactor environment is an important topic since boronization is a common wall conditioning method used in fusion Tokamaks. We report the results of density functional theory calculations that investigate the surface stability of W x B y (tetragonal I4 1 /amd -WB, hexagonal P 6 3 / mmc -WB 2 and tetragonal I4/m- W 2 B) with low-index orientations, as well as hydrogen (H) energetics near W x B y surfaces. For single element terminated W x B y surfaces, B terminated surfaces are more energetically stable than W terminated as a result of significant reconstruction of B. The H surface adsorption energy and activation energy of H diffusion penetration below W x B y surfaces are mainly related to the outer termination. Specifically, the WB(001) surface terminated with two B layers, referred to as WB(001)-T BB , has higher H adsorption affinity and lower H diffusivity on this surface than other terminations, which is controlled by the significant charge transfer from B to H. However, B atoms on the WB 2 (0001)-T BB surface decrease both H adsorption and diffusivity on the surface, but enhance H diffusion below the surface in comparison to W terminated WB 2 (0001) surface. H would be trapped and diffuse within atomic surface gaps on the WB 2 ( 2 1 ˉ 1 ˉ 0 ) surface, while H below the surface layer would jump along the [0001] direction rather than diffuse into bulk. The surface diffusion activation energy of H on the W 2 B(001) surface slightly varies with terminations. Once H crosses the surface layer of W 2 B(001) with either termination, it prefers to diffuse into the bulk, or back towards the surface, rather than move parallel to the surface. Interestingly, WB 2 (0001) and WB 2 ( 2 1 ˉ 1 ˉ 0 ) surfaces will have relatively higher H retention than the other W x B y surfaces evaluated in this work.

Yang, L. (ORCID:0000000322166071)↗
DOE OSTI2022

High Throughput Coefficient Thermal Expansion Testing Utilizing Digital Image Correlation

Dr. Fitzgerald, a postdoc at Sandia National Laboratories, works in a materials of mechanics group characterizing material properties of ductile materials. Her presentation focuses specifically on increasing throughput of coefficient of thermal expansion (CTE) measurements with the use of optical strain measurements, called digital image correlation (DIC). Currently, the coefficient of thermal expansion is found through a time intensive process called dilatometry. There are multiple types of dilatometers. One type, a double push rod mechanical dilatometer, uses and LVDT to measure the expansion of a specimen in one direction. It uses a reference material with known properties to determine the CTE of the specimen in question. Testing about 500 samples using the double push rod mechanical dilatometer would take about 2 years if testing Monday through Friday, because the reference material needs to be at a constant temperature and heating must done slowly to ensure no thermal gradients across the rod. A second type, scissors type dilatometer, pinches a sample using a “scissor-like” appendage that also uses a LVDT to measure thermal expansion as the sample is heated. Finally, laser dilatometry, was created to provide a non-contact means to measure thermal expansion. This process greatly reduces the time required to setup a measurement but is still only able to measure one sample at a time. The time required to test 500 samples gets reduced to 3.5 weeks. Additionally, to measure expansion in different directions, multiple lasers must be used. Dr. Fitzgerald solved this conundrum by using an optical measurement technique called digital image correlation to create strain maps in multiple orientations as well as measuring multiple samples at once. Using this technique, Dr. Fitzgerald can test 500 samples, conservatively, in 2 days.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Current Sheet Magnetic Model for the Solar Corona

A new magnetic model is developed and compared with previous models and the observed solar corona. An attempt is made to more accurately compute the three-dimensional currents flowing in the solar corona. Physical reasons are given that require most of the large scale currents flowing in the solar corona to lie near thin sheets. The current sheets are not constrained into any particular geometry or symmetry as in the previous models of Altschuler and Newkirk (1969) and Schatten et al. (1969). A comparison with the axisymmetric, isothermal MHD solution of Pneuman and Kopp (1970) suggests that the model is able to simulate to high accuracy an isothermal corona. A comparison of the model with the May 30, 1965, solar eclipse and the November 12, 1966, solar eclipse shows the model is capable of computing many features including the polar plume orientations as well as radial and nonradial streamers in the solar corona.

Schatten, K. H.↗
NASA NTRS1972

Mariner Mars 1971 photogrammetric calibrations.

One of the major objectives of the Mariner Mars 1971 mission was the systematic mapping of Mars. This required a complex and thorough photogrammetric calibration of both the wide-angle and narrow-angle cameras mounted on the spacecraft scan platform. Because of the peculiarities of the TV imaging techniques (transmission quality, low resolution, electronic distortion, etc.), combined with the extremely small vidicon format, many unique difficulties were encountered and many unprecedented problems had to be solved. Their successful solution, based on experience gained during the Surveyor and Mariner Mars 1969 projects, is discussed, and the calibration procedure for the parameters of interior orientation, as well as for opto-mechanical orthogonality, is described in detail.

Benesh, M.↗
NASA NTRS1978

Acceleration sensitivity compensation in high performance crystal oscillators

Two approaches to achieving reduced acceleration sensitivity of crystal oscillators are discussed. The first involves electronic compensation within the frequency control loop. The second utilizes two resonators of comparable acceleration sensitivity to compensate each other. Problems encountered in matching and tuning the resonators are discussed, as well as orientation symmetry of the frequency deviation patterns. Results on frequency stability which reflect an improved static sensitivity are presented.

Emmons, D. A.↗
NASA NTRS1980

Distribution analysis for F100(3) engine

The F100(3) compression system response to inlet circumferential distortion was investigated using an analytical compressor flow model. Compression system response to several types of distortion, including pressure, temperature, and combined pressure/temperature distortions, was investigated. The predicted response trends were used in planning future F100(3) distortion tests. Results show that compression system response to combined temperature and pressure distortions depends upon the relative orientation, as well as the individual amplitudes and circumferential extents of the distortions. Also the usefulness of the analytical predictions in planning engine distortion tests is indicated.

Walter, W. A.↗
NASA NTRS1979

On the controllability of a long flexible beam in orbit

The equations of planar motion for a long, flexible free-free beam in orbit are developed and include the effects of gravity-gradient torques and control torques resulting from actuators assumed to be located at specific points along the beam. The control devices are used to control both the orientation as well as the shape of the beam. Application of two classes of theorems to the linearized form of these equations is used to establish necessary and sufficient conditions for controllability for different combinations of number/location of actuators with the number of modes contained in the mathematical model. It is seen that the number of actuators, if properly located, can be less than the number of modes in the system model. A numerical example illustrates the controlled response to an initial perturbation in both pitch angle as well as beam shape.

Bainum, P. M.↗
NASA NTRS1981

Thermodynamic properties and phase transitions in CO2 molecular clusters

The thermodynamic properties of (CO2)N molecular aggregates of size N between 2 and 13 have been investigated. These crystallites exhibit well defined orientational order-disorder rotational transitions accompanied by a structural transition into a plastic crystallite phase. In addition, they exhibit melting and disassociation transitions. It is shown that the interpretation of experimental data, based upon dimer properties, depends crucially on these results. Equilibrium structures and orientations are also given.

Etters, R. D.↗
NASA NTRS1986

Multiple jet impingement flowfields

Attention is given to the prediction of lift-system-induced aerodynamic effects in lift-jet VTOL aircraft, considering both analytical fluid-dynamics models and an empirical database. The methodology takes into account the effects of aircraft geometry and orientation as well as height above ground, lift-jet vector and splay directions, jet exit-flow conditions, and nozzle exit geometry.

Kotansky, D. R.↗
NASA NTRS1989

Newborn stars and stellar winds in Barnard 228

Imaging and spectroscopic observations of premain-sequence stars in the B228 molecular cloud have identified three sites of extended, shock-excited nebulosity. A highly collimated, blueshifted jet is associated with the T Tauri star Sz68 (CoD -33:10685 deg). A candidate Herbig-Haro object is found near Sz68 and the T Tauri star Sz69. A third region of shock-excited nebulosity is identified near the embedded newborn star IRAS 15398-3359. IR excesses observed toward these stellar sources may imply a relationship between outflow activity and the presence of a circumstellar disk. Only one of the two outflow sources with well-defined orientations is aligned with the large-scale, magnetic-field geometry of the cloud in contrast to the global alignment of outflows in the Taurus cloud complex. Data for three previously unidentified emission-line stars are presented. A faint 18th magnitude dMe star located 48 arcsecs west of Sz68 is identified.

Heyer, Mark H.↗
NASA NTRS1990

The interaction of impulsive solar wind discontinuities with the magnetosphere - A multi-satellite case study

Data collected on September 4-5, 1984 by the outbound AMPTE/IRM spacecraft which stayed just outside the expanding earth's bow shock for 7.5h are examined. The data are gathered during an unusual period for which the solar wind pressure and magnetic field are relatively constant except for two discontinuities with associated approximately equal to 1 min duration pressure pulses. The observations indicate that the bow shock reacts rapidly to solar wind dynamic pressure variations; that both discontinuity/pressure pulse events were followed more or less immediately by a decrease in the geosynchronous particle fluxes, indicating the growth phase of a substorm and possibly also the shadowing of energetic ions by the compressed magnetopause followed after 10-30 min by a sudden enhancement in the energetic particles which began on the nightside and drifted to the dayside; and sudden impulse ground signatures are observed which seem to depend critically on the IMF orientation as well as on the longitude and latitude of the particular ground stations.

Labelle, J.↗