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At least 289 records · Page 16

MEDLI2 Material Response Model Development and Validation

During the entry of Mars Science Laboratory (MSL) the heatshield was equipped with the instrumentation suite Mars Entry, Descent, and Landing Instruments (MEDLI). In-depth thermocouple (TC) data was used to reconstruct the surface heating and temperatures. Discrepancies between MEDLI’s recorded in-depth heating data and the predicted thermal response and recession led to a campaign to characterize and test Mars Entry, Descent, and Landing Instrument 2 (MEDLI2) flight lot thermal protection materials (TPS) at relevant temperatures and pressures for Martian entry conditions. This paper covers the development and validation of MEDLI2 flight lot material response models for the heatshield material Phenolic Impregnated Carbon Ablator (PICA) and the backshell material Super-Lightweight Ablator (SLA-561V). Virgin and char thermal conductivities were updated as a function of temperature and pressure in the MEDLI2 specific material response models. Other material properties such as virgin and char density, emissivity, absorptivity, and specific heat capacitance was also characterized and compared to the “Heritage” models used during the TPS design phase of Mars 2020. Fully Implicit Ablation and Thermal response (FIAT) simulations were completed using the Heritage and MEDLI2 material response models to provide evidence of the increased accuracy of the MEDLI2 model. FIAT predicted in-depth temperatures were compared to flight lot certification ground-test arc jet test data and MEDLI2 flight thermocouple data.

Material response↗

Significantly Improved Cyclability of Conversion-Type Transition Metal Oxyfluoride Cathodes by Homologous Passivation Layer Reconstruction

Electrode stabilization by surface passivation has been explored as the most crucial step to develop long-cycle lithium-ion batteries (LIBs). In this work, functionally graded materials consisting of “conversion-type” iron-doped nickel oxyfluoride (NiFeOF) cathode covered with a homologous passivation layer (HPL) are rationally designed for long-cycle LIBs. The compact and fluorine-rich HPL plays dual roles in suppressing the volume change of NiFeOF porous cathode and minimizing the dissolution of transition metals during LIBs cycling by forming a structure/composition gradient. The structure and composition of HPL reconstructs during lithiation/delithiation, buffering the volume change and trapping the dissolved transition metals. As a result, a high capacity of 175 mAh g -1 (equal to an outstanding volumetric capacity of 936 Ah L -1 ) with a greatly reduced capacity decay rate of 0.012% per cycle for 1000 cycles is achieved, which is superior to the NiFeOF porous film without HPL and commercially available NiF 2 -FeF 3 powders. Finally, the proposed chemical and structure reconstruction mechanism of HPL opens a new avenue for the novel materials development for long-cycle LIBs.

25 ENERGY STORAGE↗

Functional and structural mapping of human cerebral cortex: solutions are in the surfaces

The human cerebral cortex is notorious for the depth and irregularity of its convolutions and for its variability from one individual to the next. These complexities of cortical geography have been a chronic impediment to studies of functional specialization in the cortex. In this report, we discuss ways to compensate for the convolutions by using a combination of strategies whose common denominator involves explicit reconstructions of the cortical surface. Surface-based visualization involves reconstructing cortical surfaces and displaying them, along with associated experimental data, in various complementary formats (including three-dimensional native configurations, two-dimensional slices, extensively smoothed surfaces, ellipsoidal representations, and cortical flat maps). Generating these representations for the cortex of the Visible Man leads to a surface-based atlas that has important advantages over conventional stereotaxic atlases as a substrate for displaying and analyzing large amounts of experimental data. We illustrate this by showing the relationship between functionally specialized regions and topographically organized areas in human visual cortex. Surface-based warping allows data to be mapped from individual hemispheres to a surface-based atlas while respecting surface topology, improving registration of identifiable landmarks, and minimizing unwanted distortions. Surface-based warping also can aid in comparisons between species, which we illustrate by warping a macaque flat map to match the shape of a human flat map. Collectively, these approaches will allow more refined analyses of commonalities as well as individual differences in the functional organization of primate cerebral cortex.

Review↗

Electronic reconstruction at the polar (111)-oriented oxide interface

Atomically flat (111) interfaces between insulating perovskite oxides provide a landscape for new electronic phenomena. For example, the graphene-like coordination between interfacial metallic ion layer pairs can lead to topologically protected states [Xiao et al., Nat. Commun. 2, 596 (2011) and A. Rüegg and G. A. Fiete, Phys. Rev. B 84, 201103 (2011)]. The metallic ion/metal oxide bilayers that comprise the unit cell of the perovskite (111) heterostructures require the interface to be polar, generating an intrinsic polar discontinuity [Chakhalian et al., Nat. Mater. 11, 92 (2012)]. Here, we investigate epitaxial heterostructures of (111)-oriented LaAlO 3 /SrTiO 3 (LAO/STO). We find that during heterostructure growth, the LAO overlayer eliminates the structural reconstruction of the STO (111) surface with an electronic reconstruction, which determines the properties of the resulting two-dimensional conducting gas. This is confirmed by transport measurements, direct determination of the structure and atomic charge from coherent Bragg rod analysis, and theoretical calculations of electronic and structural characteristics. Interfacial behaviors of the kind discussed here may lead to new growth control parameters useful for electronic devices.

36 MATERIALS SCIENCE↗

Reconstruction of Pre- and Post-Test Surfaces at the U-20az BARNWELL Site, Nevada National Security Site

Technical report on results of photogrammetric reconstruction task at NNSS. Modern photogrammetric methods were applied to historic aerial photographs taken six days before and four days after the BARNWELL underground nuclear explosion (UNE) to recreate the pre-UNE topography and the fresh post-UNE surface. The surfaces were compared to each other to characterize surface effects of the BARNWELL UNE. Topographic changes between the pre-UNE and post-UNE surfaces were limited to minor rock fall and intentional changes related to construction activities. Methods developed in this study could potentially be used across a much wider area to discover and catalogue as yet undescribed subtle underground nuclear explosion surface effects.

58 GEOSCIENCES↗

Application of spherical near-field measurements to microwave holographic diagnosis of antennas

Microwave diagnosis of antennas is considered as a viable tool for the determination of reflector surface distortions and location of defective radiating elements of array antennas. A hybrid technique based on the combination of the spherical near-field measurements and holographic metrology reconstruction is presented. The measured spherical near-field data are first used to construct the far-field amplitude and phase patterns of the antenna on specified regularized u-nu coordinates. These data are then utilized in the surface profile reconstruction of the holographic technique using a fast-Fourier-transform (FFT)/iterative approach. Results of an experiment using a 156-cm reflector antenna measured at 11.3 GHz are presented for both the original antenna and the antenna with four attached bumps. Several contour and gray-scaled plots are presented for the reconstructed surface profiles of the measured antennas. The recovery effectiveness of the attached bumps has been demonstrated. The hybrid procedure presented is used to assess the achieved accuracy of the holographic reconstruction technique because of its ability to determine very accurate far-field amplitude and phase data from the spherical near-field measurements.

Rahmat-Samii, Yahya↗

Variance Decomposition of MEDLI2 Reconstructed Heating Using Neural Networks

The Mars Entry, Descent, and Landing Instrumentation (MEDLI2) sensor suite collected data during entry of the Mars 2020 Perseverance rover into Mars’ atmosphere. This suite included a network of MEDLI2 Instrumented Sensor Plugs (MISPs). Each MISP was comprised of a cylinder made of Thermal Protection System (TPS) material with 1-3 embedded thermocouples (TCs), and it was flush mounted into the heatshield or backshell. Data from these in-depth TCs were used to reconstruct the aeroheating environment of the vehicle throughout entry. Surface heating was posed as an inverse problem, with the goal of estimating the surface heating by minimizing an objective function of the difference between MISP temperature measurements during flight and the temperature predictions derived from the Fully Implicit Ablation and Thermal response (FIAT) program. Given an aerothermal environment, FIAT calculates the material response and provides in-depth temperatures throughout the TPS material. To achieve the reverse, an internal tool called FIAT_Opt runs through multiple different environments until the output temperature at the TC depth closely matches the flight data. 95% confidence intervals on the reconstructed surface heating were obtained using Monte Carlo analysis, in which uncertainties in the thermocouple depth and the TPS material properties (e.g., density, thermal conductivity, heat capacity, emissivity) based on flight-lot material testing were included. A variance decomposition method using Sobol indices was employed to assess the sensitivity of the reconstructed peak heating to the TC placement and material property uncertainties. Variance decomposition was found to require tens of thousands of FIAT_Opt runs in order for the Sobol indices to converge. With a single FIAT_Opt run taking on the order of 40 minutes, the required number of computations would take months to complete, even if using multiple CPUs. To mitigate this problem, three machine learning models (ridge regression with cross-validation, random forest regression, and a deep neural network) were trained and tested using the 2000 Monte Carlo runs that were already completed. A subset of 1600 runs were used to train the model (i.e., training set), while the remaining 400 runs were used as the test set. The predictions from the deep neural network (DNN) on the test set showed nearly perfect agreement to the actual values computed with FIAT_Opt (R2 > 0.99). Using the DNN as a surrogate model, the variance decomposition using 50,000 runs was completed within minutes. The resulting Sobol indices showed that the reconstructed peak surface heating was most sensitive to the uncertainties in the thermal conductivity (ST = 0.37) and heat capacity (ST = 0.26). This method can be leveraged to provide requirements for material property measurements needed to improve the accuracy of surface heating prediction and ultimately lead to the reduction of design margins in the future. This presentation will include background on the MEDLI2 suite; the method used for inverse heating estimation; the way that material property uncertainties were accounted for using Monte Carlo analysis; a brief background on variance decomposition; the motivation for using machine learning in this context; how a neural network was trained on the data to enable variance decomposition in a fraction of the time; and the variance decomposition results for one of the MISPs.

Hannah Alpert↗

Slope-induced errors in radar altimetry over continental ice sheets

Altimeter measurements of ranges to modelled irregular surfaces are simulated and two correction schemes are used to reconstruct the modelled surfaces from the simulated data. When the cross-track slope is negligible, the problem can be treated as two-dimensional and the relocation method is preferred to the slope correction method. In a two-dimensional test case, 85 percent of the slope-induced rms error was removed by the relocation method. The mean error along profiles of about 75 km or longer is usually reduced more than the rms error. An alternative slope correction scheme, which uses the local slope to calculate the expected error, is less effective in the two-dimensional case. Over a simulated three-dimensional surface, where groundtracks are widely spaced and cross-track slopes are significant, the slope-correction method must be used in at least the cross-track direction.

Brenner, A. C.↗

Simulation studies for surfaces and materials strength

Optimum energies and structures were estimated for single step ledges formed on the diamond (111) surface. Binding energies of carbon atoms adsorbed on a (2x1) reconstructed Si(100) surface were calculated as a function of sub-monolayer coverages. Calculations were conducted to analyze the strain dependence of the binding energy of a carbon adatom deposited on a (2x1) dimerized Si(100) surface. Details and results of these studies are given as appendices.

Halicioglu, Timur↗

First-principles calculations of metal surfaces. II. Properties of low-index platinum surfaces toward understanding electron emission

The stability of low-index platinum surfaces and their electronic properties is investigated with density functional theory, toward the goal of understanding the surface structure and electron emission, and identifying precursors to electrical breakdown, on nonideal platinum surfaces. Propensity for electron emission can be related to a local work function, which, in turn, is intimately dependent on the local surface structure. The (1×N) missing row reconstruction of the Pt(110) surface is systematically examined. The (1×3) missing row reconstruction is found to be the lowest in energy, with the (1×2) and (1×4) slightly less stable. In the limit of large (1×N) with wider (111) nanoterraces, the energy accurately approaches the asymptotic limit of the infinite Pt(111) surface. Furthermore, this suggests a local energetic stability of narrow (111) nanoterraces on free Pt surfaces that could be a common structural feature in the complex surface morphologies, leading to work functions consistent with those on thermally grown Pt substrates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A new method of presentation the large-scale magnetic field structure on the Sun and solar corona

The large-scale photospheric magnetic field, measured at Stanford, has been analyzed in terms of surface harmonics. Changes of the photospheric field which occur within whole solar rotation period can be resolved by this analysis. For this reason we used daily magnetograms of the line-of-sight magnetic field component observed from Earth over solar disc. We have estimated the period during which day-to-day full disc magnetograms must be collected. An original algorithm was applied to resolve time variations of spherical harmonics that reflect time evolution of large-scale magnetic field within solar rotation period. This method of magnetic field presentation can be useful enough in lack of direct magnetograph observations due to sometimes bad weather conditions. We have used the calculated surface harmonics to reconstruct the large-scale magnetic field structure on the source surface near the sun - the origin of heliospheric current sheet and solar wind streams. The obtained results have been compared with spacecraft in situ observations and geomagnetic activity. We tried to show that proposed technique can trace shon-time variations of heliospheric current sheet and short-lived solar wind streams. We have compared also our results with those obtained traditionally from potential field approximation and extrapolation using synoptic charts as initial boundary conditions.

Ponyavin, D. I.↗

Simulation studies for surfaces and materials strength

During this period investigations were carried out in three areas. Optimum energies and structures were estimated for single step ledges formed in the (111) surface of diamond. Binding energies of carbon atoms adsorbed on a (2x1) reconstructed Si(100) surface were calculated as a function of sub-monolayer coverages. Calculations were conducted to analyze the strain dependence of the binding energy of a carbon atom deposited on a (2x1) dimerized Si(100) surface. Results are discussed.

Halicioglu, Timur↗

Wave-by-Wave Forecasting via Assimilation of Marine Radar Data

Abstract This work describes a phase-resolving wave-forecasting algorithm that is based on the assimilation of marine radar image time series. The algorithm is tested against synthetic data and field observations. The algorithm couples X-band marine radar observations with a phase-resolving wave model that uses the linear mild slope equations for reconstruction of water surface elevations over a large domain of O (km) and a prescribed time window of O (min). The reconstruction also enables wave-by-wave forecasting through forward propagation in space and time. Marine radar image time series provide the input wave observations through a previously given relationship between backscatter intensity and the radial component of the sea surface slope. The algorithm assimilates the wave slope information into the model via a best-fit wave source function at the boundary that minimizes the slope reconstruction error over an annular region at the outer ranges of the radar images. The wave model is then able to propagate the waves across a polar domain to a location of interest at nearer ranges. The constraints on the method for achieving real-time forecasting are identified, and the algorithm is verified against synthetic data and tested using field observations.

Engineering↗

Three-Dimensional Reconstruction of Defects and Structures in Additively Manufactured Parts with Automated Serial Sectioning

Metal additive manufacturing (AM) processes have been demonstrated to be effective at reducing costs and lead times associated with complex components for space flight applications. Laser powderbed fusion (L-PBF) is a commonly used AM technology due to the ability to produce complex parts with fine feature resolution in a wide variety of alloys and applications. L-PBF, like many other manufacturing processes, can produce minor flaws in parts when in nominal operation as well as process-escape defects when process abnormalities occur. The effects of the flaws and methods of detecting the flaws are a subject of interest to understand the difficulties in detecting these flaws with current technology and how much risk the flaws or defects pose to potential flight parts. Using a RoboMet.3D automated serial sectioning system, seeded defects as well as minor process flaws can be imaged and reconstructed in three dimensions to compare to non-destructive evaluation (NDE) techniques, such as x-ray computed tomography (CT), neutron CT, and in-situ monitoring. The RoboMet automates the metallography process by automatically grinding, polishing, and imaging samples in a single system and providing the control data for NDE comparisons to know the real size of defects built into coupons. These comparisons provide an understanding behind the technological limitations of the NDE techniques for different alloys. The same serial sectioning methods have also been utilized to characterize the surfaces of parts to reconstruct the surfaces and take measurements of internal features not easily examined with non-destructive methods. Using the RoboMet, fine lattice structures built with L-PBF have been characterized to determine the actual thicknesses of struts and density of the lattice structures. These structures have been used as finer build supports for the L-PBF process, designs for fine catalysts, and other design considerations for small components. The RoboMet data helps to inform the modeling and design efforts around these fine components.

additive manufacturing↗

Structure and energetics of the elbows in the Au(111) herringbone reconstruction

We study the structure of the threading edge dislocations, or “elbows,” which are an essential component of the well-known herringbone reconstruction of the (111) surface of Au. Previous work had shown that these dislocations can be stabilized by long-range elastic relaxations into the bulk. However, the validity of the harmonic spring model that had been used to estimate the energies of the dislocations is uncertain. To enable a more refined model of the dislocation energetics, we have imaged the atomic structure of these dislocations using scanning tunneling microscopy. We find that the harmonic spring model does not adequately reproduce the observed structure. We are able to reproduce the structure, however, with a two-dimensional Frenkel-Kontorova (FK) model that uses a pairwise Morse potential to describe the interactions between the top layer Au atoms on a rigid substrate. The parameters of the potential were obtained by fitting the energy of uniaxially compressed phases, or “stripes”, computed with density functional theory, as a function of surface Au density. Within this model, the formation of the threading dislocations remains unfavorable. However, the large forces on the substrate atoms near the threading-dislocation cores, render the assumption of a completely rigid substrate questionable. Indeed, if the FK parameters are modified to account for the relaxation of just one more atomic layer, threading dislocations can, in principle, become favorable, even without bulk elastic relaxations. Additional evidence for a small elbow energy is that our computed change in the Au(111) surface stress tensor caused by the (√ 3 × 22) reconstruction is considerably smaller than previous estimates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The surface orientation of some Apollo 14 rocks.

Detailed stereomicroscopic studies of the distribution of microcraters, soil covers, and glass coatings were performed to reconstruct the most recent surface orientations of selected Apollo 14 rocks. Surface orientations could be established for rocks 14053, 14073, 14301, 14303, 14307, 14310, and 14311 (which includes rock 14308). A tentative orientation of rock 14055 is suggested, and comments concerning the surface history of rocks 14302, 14305, and 14318 are presented. The examination of rocks 14066, 14306, and 14321 indicates that these specimens have complicated surface histories that prevent reconstruction of their orientation by the criteria that were established in these stereomicroscopic studies.

Hoerz, F.↗

Crystal truncation rods from miscut surfaces with alternating terminations

Miscut surfaces of layered crystals can exhibit a stair-like sequence of terraces having periodic variation in their atomic structure. For hexagonal close-packed and related crystal structures with an αβαβ stacking sequence, there have been long-standing questions regarding how the differences in adatom attachment kinetics at the steps separating the terraces affect the fractional coverage of α vs. β termination during crystal growth. To demonstrate how surface X-ray scattering can help address these questions, we develop a general theory for the intensity distributions along crystal truncation rods (CTRs) for miscut surfaces with a combination of two terminations. We consider half-unit-cell-height steps, and variation of the coverages of the terraces above each step. Example calculations are presented for the GaN (0001) surface with various reconstructions. These show which CTR positions are most sensitive to the fractional coverage of the two terminations. We compare the CTR profiles for exactly oriented surfaces to those for vicinal surfaces having a small miscut angle, and investigate the circumstances under which the CTR profile for an exactly oriented surface is equal to the sum of the intensities of the corresponding family of CTRs for a miscut surface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗