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At least 703 records · Page 39

Experimental X-ray Charge-Density Studies–A Suitable Probe for Superconductivity? A Case Study on MgB 2

Case studies of 1T-TiSe 2 and YBa 2 Cu 3 O 7-δ have demonstrated that X-ray diffraction (XRD) studies can be used to trace even subtle structural phase transitions which are inherently connected with the onset of superconductivity in these benchmark systems. However, the utility of XRD in the investigation of superconductors like MgB 2 lacking an additional symmetry-breaking structural phase transition is not immediately evident. Nevertheless, high-resolution powder XRD experiments on MgB 2 in combination with maximum entropy method analyses hinted at differences between the electron density distributions at room temperature and 15 K, that is, below the T c of approx. 39 K. The high-resolution single-crystal XRD experiments in combination with multipolar refinements presented here can reproduce these results but show that the observed temperature-dependent density changes are almost entirely due to a decrease of atomic displacement parameters as a natural consequence of a reduced thermal vibration amplitude with decreasing temperature. Our investigations also shed new light on the presence or absence of magnesium vacancies in MgB 2 samples–a defect type claimed to control the superconducting properties of the compound. Here, we propose that previous reports on the tendency of MgB 2 to form non-stoichiometric Mg 1–x B 2 phases (1 – x ~ 0.95) during high-temperature (HT) synthesis might result from the interpretation of XRD data of insufficient resolution and/or usage of inflexible refinement models. Indeed, advanced refinements based on an Extended Hansen–Coppens multipolar model and high-resolution X-ray data, which consider explicitly the contraction of core and valence shells of the magnesium cations, do not provide any significant evidence for the formation of non-stoichiometric Mg 1–x B 2 phases during HT synthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Near-field infrared imaging of polar domain walls in Ni 3 TeO 6

Domain walls are leading platforms for the development of ultra-low power switching and memory devices due to their potential to be moved, created, and erased in real time and to mitigate heat flux. Interface vs wavelength size effects unfortunately preclude the measurement of phonons by traditional spectroscopic techniques, so it has been challenging to unravel the primary excitations of the lattice and the symmetries that they represent across these functional interfaces. In this work, we employ synchrotron-based near-field infrared nanospectroscopy to image polar domain walls in multiferroic Ni 3 TeO 6 . This is a unique platform because, in addition to hosting polar and chiral domains that are interlocked with one another, Ni 3 TeO 6 displays both charged and neutral interfaces depending upon the direction allowing the development of structure–property relations. From a local structure and a strain point of view, we find charged walls that are twice as wide as neutral walls as well as strong frequency shifts of vibrational modes across the charged walls. The near-field amplitude drops across the walls as well. We discuss these trends in terms of polarization and chirality as well as phonon lifetimes at functional interfaces.

36 MATERIALS SCIENCE↗

Shock and vibration response of multistage structure

Study of the shock and vibration response of a multistage structure employed analytically, lumped-mass, continuous-beam, multimode, and matrix-iteration methods. The study was made on the load paths, transmissibility, and attenuation properties along a longitudinal axis of a long, slender structure with increasing degree of complexity.

Lee, S. Y.↗

Flexible thermal device

Fabrication of expansion joint, vibration isolator device with sufficient cross sectional area for high thermal conductivity is discussed. Device consists of multiple layers of metal foil which may be designed to meet specific applications. Thermodynamic properties of the device and illustration of construction are provided.

Wallace, S. D.↗

Spline-based Rayleigh-Ritz methods for the approximation of the natural modes of vibration for flexible beams with tip bodies

Rayleigh-Ritz methods for the approximation of the natural modes for a class of vibration problems involving flexible beams with tip bodies using subspaces of piecewise polynomial spline functions are developed. An abstract operator-theoretic formulation of the eigenvalue problem is derived and spectral properties investigated. The existing theory for spline-based Rayleigh-Ritz methods applied to elliptic differential operators and the approximation properties of interpolatory splines are used to argue convergence and establish rates of convergence. An example and numerical results are discussed.

Rosen, I. G.↗

Probabilistic Fracture Mechanics Analysis of the Orbiter's LH2 Feedline Flowliner

Work performed by Southwest Research Institute (SwRI) as part of an Independent Technical Assessment (ITA) for the NASA Engineering and Safety Center (NESC) is summarized. The ITA goal was to establish a flight rationale in light of a history of fatigue cracking due to flow induced vibrations in the feedline flowliners that supply liquid hydrogen to the space shuttle main engines. Prior deterministic analyses using worst-case assumptions predicted failure in a single flight. The current work formulated statistical models for dynamic loading and cryogenic fatigue crack growth properties, instead of using worst-case assumptions. Weight function solutions for bivariant stressing were developed to determine accurate crack "driving-forces". Monte Carlo simulations showed that low flowliner probabilities of failure (POF = 0.001 to 0.0001) are achievable, provided pre-flight inspections for cracks are performed with adequate probability of detection (POD)-specifically, 20/75 mils with 50%/99% POD. Measurements to confirm assumed POD curves are recommended. Since the computed POFs are very sensitive to the cyclic loads/stresses and the analysis of strain gage data revealed inconsistencies with the previous assumption of a single dominant vibrant mode, further work to reconcile this difference is recommended. It is possible that the unaccounted vibrational modes in the flight spectra could increase the computed POFs.

Bonacuse, Peter J.↗

Direct Measurements of Infrared Intensities of HCN and H2O + HCN Ices for Laboratory and Observational Astrochemistry

Hydrogen cyanide (HCN) is found in a wide variety of extraterrestrial environments within and beyond the solar system, and for that reason laboratory spectroscopists have studied this compound in many spectral regions, including the infrared (IR). However, one aspect that remains to be investigated is the intrinsic IR spectral intensities of solid HCN as opposed to relative band strengths, intrinsic intensities being needed to measure HCN abundances. Here we report measurements of IR absorption coefficients and band strengths, along with supporting refractive indices and densities, of both amorphous and crystalline HCN at two temperatures, one for interstellar work and one more relevant to the outer solar system. Spectra are presented at both temperatures, along with optical constants that can be used in numerical models. Despite widespread and longstanding interest in and investigations of solid HCN, this is the first time that the properties we are reporting have been measured in a single laboratory, avoiding the need for estimates or to combine results from various authors. We find that our measured band strength of ~1 × 1017 cm molecule1 for the CN vibration of HCN, in both amorphous HCN and in an H2O-rich ice, is substantially higher than an earlier estimate. Unless errors of 100% can be tolerated then our new value requires a rescaling of earlier work. Our results shed light on why HCN and other nitriles have been so difficult to identify in the solid state, in contrast to their many detections in the gas phase.

astrochemistry – methods: laboratory – solid state↗

Direct Measurements of Infrared Intensities of HCN and H2O + HCN Ices for Laboratory and Observational Astrochemistry

Hydrogen cyanide (HCN) is found in a wide variety of extraterrestrial environments within and beyond the solar system, and for that reason laboratory spectroscopists have studied this compound in many spectral regions, including the infrared (IR). However, one aspect that remains to be investigated is the intrinsic IR spectral intensities of solid HCN as opposed to relative band strengths, intrinsic intensities being needed to measure HCN abundances. Here we report measurements of IR absorption coefficients and band strengths, along with supporting refractive indices and densities, of both amorphous and crystalline HCN at two temperatures, one for interstellar work and one more relevant to the outer solar system. Spectra are presented at both temperatures, along with optical constants that can be used in numerical models. Despite widespread and longstanding interest in and investigations of solid HCN, this is the first time that the properties we are reporting have been measured in a single laboratory, avoiding the need for estimates or to combine results from various authors. We find that our measured band strength of ~1 × 1017 cm molecule1 for the CN vibration of HCN, in both amorphous HCN and in an H2O-rich ice, is substantially higher than an earlier estimate. Unless errors of 100% can be tolerated then our new value requires a rescaling of earlier work. Our results shed light on why HCN and other nitriles have been so difficult to identify in the solid state, in contrast to their many detections in the gas phase.

astrochemistry – methods: laboratory – solid state↗

From ground to excited electronic state dynamics of electron and ion irradiated graphene nanomaterials

Microscopes utilizing convergent electron and ion beams are emerging as powerful tools for both imaging and manipulating two-dimensional materials with atomic resolution, allowing the ultimate limits of nanofabrication to be realized. In this chapter, we detail the use of time-dependent electronic structure theory to determine the excited state properties and reactivity of functionalized graphene nanostructures. A time-dependent density functional theory treatment of electronic excitations of materials is presented, with specific emphasis on predicting the position-dependent electronic response of two-dimensional nanomaterials to electron beams. The method is demonstrated in a study highlighting the important role that electronic excitation can play in opening reaction pathways relevant to atomically precise defect manipulation in graphene. Finally, we provide some perspective on future development directions for methods of simulating nonequilibrium electronic and vibrational dynamics induced by electron/ion beams.

Lingerfelt, David↗

AGC-2 Specimen Post Irradiation Data Package Report

This report documents results of the post-irradiation examination material property testing of the creep, control, and piggyback specimens from the irradiation creep capsule Advanced Graphite Creep (AGC)-2 are reported. This is the second of a series of six irradiation test trains planned as part of the AGC experiment to fully characterize the neutron irradiation effects and radiation creep behavior of current nuclear graphite grades. The AGC-2 capsule was irradiated in the Idaho National Laboratory Advanced Test Reactor at a nominal temperature of 600°C and to a peak dose of 5 dpa (displacements per atom). One half of the creep specimens were subjected to mechanical stresses (an applied stress of either 13.8, 17.2, or 20.7 MPa) to induce irradiation creep. All post-irradiation testing and measurement results are reported with the exception of the irradiation mechanical strength testing, which is the last destructive testing stage of the irradiation testing program. Material property tests were conducted on specimens from 15 nuclear graphite grades using a similar loading configuration as the first AGC capsule (AGC-1) to provide easy comparison between the two capsules. However, AGC-2 contained an increased number of specimens (i.e., 487 total specimens irradiated) and replaced specimens of the minor grade 2020 with the newer grade 2114. The data reported include specimen dimensions for both stressed and unstressed specimens to establish the irradiation creep rates, mass and volume data necessary to derive density, elastic constants (Young’s modulus, shear modulus, and Poisson’s ratio) from ultrasonic time of flight velocity measurements, Young’s modulus from the fundamental frequency of vibration, electrical resistivity, and thermal diffusivity and thermal expansion data from 100–500°C. No data outliers were determined after all measurements were completed. A brief statistical analysis was performed on the irradiated data and a limited comparison between pre- and post-irradiation properties is presented. A more complete evaluation of trends in the material property changes, as well as irradiation-induced creep due to irradiation, temperature, and applied load on specimens will be discussed in later AGC-2 post-irradiation examination analysis reports.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Near Earth Asteroid Scout Solar Sail Engineering Development Unit Test Suite

The Near Earth Asteroid (NEA) Scout project is a 6U reconnaissance mission to investigate a near Earth asteroid utilizing an 86m(sub 2) solar sail as the primary propulsion system. This will be the largest solar sail NASA has launched to date. NEA Scout is currently manifested on the maiden voyage of the Space Launch System in 2018. In development of the solar sail subsystem, design challenges were identified and investigated for packaging within a 6U form factor and deployment in cis-lunar space. Analysis was able to capture understanding of thermal, stress, and dynamics of the stowed system as well as mature an integrated sail membrane model for deployed flight dynamics. Full scale system testing on the ground is the optimal way to demonstrate system robustness, repeatability, and overall performance on a compressed flight schedule. To physically test the system, the team developed a flight sized engineering development unit with design features as close to flight as possible. The test suite included ascent vent, random vibration, functional deployments, thermal vacuum, and full sail deployments. All of these tests contributed towards development of the final flight unit. This paper will address several of the design challenges and lessons learned from the NEA Scout solar sail subsystem engineering development unit. Testing on the component level all the way to the integrated subsystem level. From optical properties of the sail material to fold and spooling the single sail, the team has developed a robust deployment system for the solar sail. The team completed several deployments of the sail system in preparation for flight at half scale (4m) and full scale (6.8m): boom only, half scale sail deployment, and full scale sail deployment. This paper will also address expected and received test results from ascent vent, random vibration, and deployment tests.

Lockett, Tiffany Russell↗

High temperature dynamic modulus and damping of aluminum and titanium matrix composites

Dynamic modulus and damping capacity property data were measured from 20 to over 500 C for unidirectional B/Al (1100), B/Al (6061), B/SiC/Al (6061), Al2O3/Al, SiC/Ti-6Al-4V, and SiC/Ti composites. The measurements were made under vacuum by the forced vibration of composite bars at free-free flexural resonance near 2000 Hz and at amplitudes below 0.000001. Whereas little variation was observed in the dynamic moduli of specimens with approximately the same fiber content (50 percent), the damping of B/Al composites was found at all temperatures to be significantly greater than the damping of the Al2O3/Al and SiC/Ti composites. For those few situations where slight deviations from theory were observed, the dynamic data were examined for information concerning microstructural changes induced by composite fabrication and thermal treatment. The 270 C damping peak observed in B/Al (6061) composites after heat treatment above 460 C appears to be the result of a change in the 6061 aluminum alloy microstructure induced by interaction with the boron fibers. The growth characteristics of the damping peak suggest its possible value for monitoring fiber strength degration caused by excess thermal treatment during B/Al (6061) fabrication and use.

Dicarlo, J. A.↗

High temperature dynamic modulus and damping of aluminum and titanium matrix composites

Dynamic modulus and damping capacity property data were measured from 20 to over 500 C for unidirectional B/Al (1100), B/Al (6061), B/SiC/Al (6061), Al2O3/Al, SiC/Ti-6Al-4V, and SiC/Ti composites. The measurements were made under vacuum by the forced vibration of composite bars at free-free flexural resonance near 2000 Hz and at strain application below 0.000001. The damping of B/Al composites was found at all temperatures to be significantly greater than the damping of the Al2O3/Al and SiC/Ti composites, with little variation observed in the dynamic moduli of specimens having almost the same fiber content. It is concluded that on the practical level, the finding of a damping-strength correlation supports the use of composite damping measurements for the nondestructive evaluation of boron fiber strength in as-fabricated and heat-treated B/Al (6061) composites.

Dicarlo, J. A.↗

Effects of model deficiencies on parameter estimation

Reliable structural dynamic models will be required as a basis for deriving the reduced-order plant models used in control systems for large space structures. Ground vibration testing and model verification will play an important role in the development of these models; however, fundamental differences between the space environment and earth environment, as well as variations in structural properties due to as-built conditions, will make on-orbit identification essential. The efficiency, and perhaps even the success, of on-orbit identification will depend on having a valid model of the structure. It is envisioned that the identification process will primarily involve parametric methods. Given a correct model, a variety of estimation algorithms may be used to estimate parameter values. This paper explores the effects of modeling errors and model deficiencies on parameter estimation by reviewing previous case histories. The effects depend at least to some extent on the estimation algorithm being used. Bayesian estimation was used in the case histories presented here. It is therefore conceivable that the behavior of an estimation algorithm might be useful in detecting and possibly even diagnosing deficiencies. In practice, the task is complicated by the presence of systematic errors in experimental procedures and data processing and in the use of the estimation procedures themselves.

Hasselman, T. K.↗

A Comparison of Density Functional Theory with Ab initio Approaches for Systems Involving First Transition Row Metals

Density functional theory (DFT) is found to give a better description of the geometries and vibrational frequencies of FeL and FeL(sup +) systems than second order Moller Plesset perturbation theory (MP2). Namely, the DFT correctly predicts the shift in the CO vibrational frequency between free CO and the Sigma(sup -) state of FeCO and yields a good result for the Fe-C distance in the quartet states of FeCH4(+) 4 These are properties where the MP2 results are unsatisfactory. Thus DFT appears to be an excellent approach for optimizing the geometries and computing the zero-point energies of systems containing first transition row atoms. Because the DFT approach is biased in favor of the 3d(exp 7) occupation, whereas the more traditional approaches are biased in favor of the 3d(exp 6) occupation, differences are found in the relative ordering of states. It is shown that if the dissociation is computed to the most appropriate atomic asymptote and corrected to the ground state asymptote using the experimental separations, the DFT results are in good agreement with high levels of theory. The energetics at the DFT level are much superior to the MP2 and in most cases in good agreement with high levels of theory.

Ricca, Alessandra↗

System and method for the recycling of rare earth magnets

A system and a method for separating and recycling magnets made from rare earth elements from an article of manufacture used an alignment device to property position the rare earth magnet for processing. Once proper alignment is made, a separating device removes the magnet and a portion of the article. A heating device demagnetizes the magnets and vibration causes the magnets to separate from the portion of the article. Electromagnets remove the portion of the article and the rare earth magnets pass through for reclamation.

42 ENGINEERING↗

System and method for the recycling of rare earth magnets

A system and a method for separating and recycling magnets made from rare earth elements from an article of manufacture used an alignment device to property position the rare earth magnet for processing. Once proper alignment is made, a separating device removes the magnet and a portion of the article. A heating device demagnetizes the magnets and vibration causes the magnets to separate from the portion of the article. Electromagnets remove the portion of the article and the rare earth magnets pass through for reclamation.

McIntyre, Timothy J.↗

Effect of Bearing Dynamic Stiffness on Gear Vibration

Noise is a major consideration in the design of high performance geared transmissions, such as for helicopters. Transmission error, that is, the accuracy with which the driven gear follows the driver gear, is a common indicator of noise generation. It is well known that bearing properties have a strong influence on shaft dynamics. However, up to now the contribution of bearings to transmission error has received little attention. In this paper, a torsional-axial-lateral geared rotor analysis is used to determine dynamic transmission error as a function of bearing stiffness and damping. Bearings have a similar effect as found in shaft dynamics; transmission error can be reduced more than 10 decibels by appropriate selection of bearing properties.

Fleming, David P.↗