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At least 1,369 records · Page 76

Model Refinement Using Eigensystem Assignment

IA novel approach for the refinement of finite-element-based analytical models of flexible structures is presented. The proposed approach models the possible refinements in the mass, damping, and stiffness matrices of the finite element model in the form of a constant gain feedback with acceleration, velocity, and displacement measurements, respectively. Once the free elements of the structural matrices have been defined, the problem of model refinement reduces to obtaining position, velocity, and acceleration gain matrices with appropriate sparsity that reassign a desired subset of the eigenvalues of the model, along with partial mode shapes, from their baseline values to those obtained from system identification test data. A sequential procedure is used to assign one conjugate pair of eigenvalues at each step using symmetric output feedback gain matrices, and the eigenvectors are partially assigned, while ensuring that the eigenvalues assigned in the previous steps are not disturbed. The procedure can also impose that gain matrices be dissipative to guarantee the stability of the refined model. A numerical example, involving finite element model refinement for a structural testbed at NASA Langley Research Center (Controls-Structures-Interaction Evolutionary model) is presented to demonstrate the feasibility of the proposed approach.

Maghami, Peiman G.↗

The Effects of Long Duration Head Down Tilt Bed Rest on Neurocognitive Performance: The Effects of Exercise Interventions

We are conducting ongoing experiments in which we are performing structural and functional magnetic resonance brain imaging to identify the relationships between changes in neurocognitive function and neural structural alterations following a six month International Space Station mission and following 70 days exposure to a spaceflight analog, head down tilt bedrest. Our central hypothesis is that measures of brain structure, function, and network integrity will change from pre to post intervention (spaceflight, bedrest). Moreover, we predict that these changes will correlate with indices of cognitive, sensory, and motor function in a neuroanatomically selective fashion. Our interdisciplinary approach utilizes cutting edge neuroimaging techniques and a broad ranging battery of sensory, motor, and cognitive assessments that will be conducted pre flight, during flight, and post flight to investigate potential neuroplastic and maladaptive brain changes in crewmembers following long-duration spaceflight. Success in this endeavor would 1) result in identification of the underlying neural mechanisms and operational risks of spaceflight-induced changes in behavior, and 2) identify whether a return to normative behavioral function following re-adaptation to Earth's gravitational environment is associated with a restitution of brain structure and function or instead is supported by substitution with compensatory brain processes. Our ongoing bed rest participants are also engaging in exercise studies directed by Dr. Lori Ploutz Snyder. In this presentation, I will briefly highlight the existing literature linking exercise and fitness to brain and behavioral functions. I will also overview the metrics from my study that could be investigated in relation to the exercise and control subgroups.

Seidler, R. D.↗

The Effects of Spaceflight and a Spaceflight Analog on Neurocognitive Perfonnance: Extent, Longevity, and Neural Bases

We are conducting ongoing experiments in which we are performing structural and functional magnetic resonance brain imaging to identify the relationships between changes in neurocognitive function and neural structural alterations following a six month International Space Station mission and following 70 days exposure to a spaceflight analog, head down tilt bedrest. Our central hypothesis is that measures of brain structure, function, and network integrity will change from pre to post intervention (spaceflight, bedrest). Moreover, we predict that these changes will correlate with indices of cognitive, sensory, and motor function in a neuroanatomically selective fashion. Our interdisciplinary approach utilizes cutting edge neuroimaging techniques and a broad ranging battery of sensory, motor, and cognitive assessments that will be conducted pre flight, during flight, and post flight to investigate potential neuroplastic and maladaptive brain changes in crewmembers following long-duration spaceflight. Success in this endeavor would 1) result in identification of the underlying neural mechanisms and operational risks of spaceflight-induced changes in behavior, and 2) identify whether a return to normative behavioral function following re-adaptation to Earth's gravitational environment is associated with a restitution of brain structure and function or instead is supported by substitution with compensatory brain processes. With the bedrest study, we will be able to determine the neural and neurocognitive effects of extended duration unloading, reduced sensory inputs, and increased cephalic fluid distribution. This will enable us to parse out the multiple mechanisms contributing to any spaceflight-induced neural structural and behavioral changes that we observe in the flight study. In this presentation I will discuss preliminary results from six participants who have undergone the bed rest protocol. These individuals show decrements in balance and functional mobility, and alterations in brain structure and function, in association with extended bed rest.

Seidler, R. D.↗

Multiple-objective Reinforcement Learning for Inverse Design and Identification

The aim of inverse chemical design is to develop new molecules with given optimized molecular properties or objectives. Recently, generative deep learning (DL) networks are considered as the state-of-the-art in inverse chemical design and have achieved early success in generating molecular structures with desired properties in the pharmaceutical and material chemistry fields. However, satisfying a large number (> 10 objectives) of molecular objectives is a limitation of current generative models. To improve the model’s ability to handle a large number of molecule design objectives, we developed a Reinforcement Learning (RL) based generative framework to optimize chemical molecule generation. Our use of Curriculum Learning (CL) to fine-tune the pre-trained generative network allowed the model to satisfy up to 21 objectives and increase the generative network’s robustness. The experiments show that the proposed multiple-objective RL-based generative model can correctly identify unknown molecules with an 83% to 100% success rate, compared to the baseline approach of 0%. Additionally, this proposed generative model is not limited to just chemistry research challenges; we anticipate that problems that utilize RL with multiple objectives will benefit from this framework.

reinforcement learning, generative model, inverse ↗

Model Refinement Using Eigensystem Assignment

This paper presented a novel approach for the refinement of finite-element-based analytical models of flexible structures is presented. The proposed approach models the possible refinements in the mass, damping, and stiffness matrices of the finite element model in the form of a constant gain feedback with acceleration, velocity, and displacement measurements, respectively. Once, the free elements of the structural matrices have been defined, the problem of model refinement reduces to obtaining position, velocity, and acceleration gain matrices, which reassign a desired subset of the eigenvalues of the model, along with partial mode shapes, from their baseline values to those obtained from system identification test data. A sequential procedure is used to assign one self-conjugate pair of closed-loop eigenvalues at each step using symmetric output feedback gain matrices, and the closed-loop eigenvectors are partially assigned, while ensuring that the eigenvalues assigned in the previous steps are not disturbed. The procedure can also impose that gain matrices be dissipative in order to guarantee the stability of the refined model. A numerical example, involving finite element model refinement for a structural testbed at NASA Langley (CSI Evolutionary Model) is presented to demonstrate the feasibility of the proposed approach.

Maghami, Pieman G.↗

Thermal Properties of the Very Low Thermal Conductivity Ternary Chalcogenide Cu 4 Bi 4 M 9 (M = S, Se)

Temperature-dependent thermal properties of phase-pure polycrystalline ternary chalcogenides Cu 4 Bi 4 S 9 and Cu 4 Bi 4 Se 9 are reported. The structure and bonding in these materials result in very low thermal conductivity values (<0.8 W m -1 K -1 at room temperature) for both materials. The lattice contribution, Debye temperatures, and Sommerfeld coefficient are obtained from low-temperature heat capacity data that also indicate very small electronic contributions to the heat capacity for these materials. This study aids in the identification of new nontoxic, earth-abundant resistive ternary chalcogenide materials with low thermal conductivity for potential thermal barrier coating and rewriteable storage applications.

36 MATERIALS SCIENCE↗

Identification, distribution and significance of lunar volcanic domes.

Over 300 previously unrecognized volcanic domes were identified on Lunar Orbiter photographs using the following criteria: (1) the recognition of land forms on the Moon similar in morphology to terrestrial volcanic domes, (2) structural control, (3) geomorphic discordance, and (4) the recognition of land forms modified by dome-like swellings. Many terrestrial volcanic domes are similar in morphology to lunar domes. This analogy suggests that some lunar hills are in fact extrusive volcanic domes. Many of the domes identified in this paper seem to be related to basins and craters, and with the exception of local tectonic grid control few domes are related to any observable Moon-wide pattern.

Smith, E. I.↗

Tuning electrochemically driven surface transformation in atomically flat LaNiO 3 thin films for enhanced water electrolysis

Structure–activity relationships built on descriptors of bulk and bulk-terminated surfaces are the basis for the rational design of electrocatalysts. However, electrochemically driven surface transformations complicate the identification of such descriptors. In this work, we demonstrate how the as-prepared surface composition of (001)-terminated LaNiO 3 epitaxial thin films dictates the surface transformation and the electrocatalytic activity for the oxygen evolution reaction. Specifically, the Ni termination (in the as-prepared state) is considerably more active than the La termination, with overpotential differences of up to 150 mV. A combined electrochemical, spectroscopic and density-functional theory investigation suggests that this activity trend originates from a thermodynamically stable, disordered NiO 2 surface layer that forms during the operation of Ni-terminated surfaces, which is kinetically inaccessible when starting with a La termination. Our work thus demonstrates the tunability of surface transformation pathways by modifying a single atomic layer at the surface and that active surface phases only develop for select as-synthesized surface terminations.

36 MATERIALS SCIENCE↗

Nonlinear elasticity and damping govern ultrafast dynamics in click beetles

Many small animals use springs and latches to overcome the mechanical power output limitations of their muscles. Click beetles use springs and latches to bend their bodies at the thoracic hinge and then unbend extremely quickly, resulting in a clicking motion. When unconstrained, this quick clicking motion results in a jump. While the jumping motion has been studied in depth, the physical mechanisms enabling fast unbending have not. Here, we first identify and quantify the phases of the clicking motion: latching, loading, and energy release. We detail the motion kinematics and investigate the governing dynamics (forces) of the energy release. We use high-speed synchrotron X-ray imaging to observe and analyze the motion of the hinge’s internal structures of four Elater abruptus specimens. We show evidence that soft cuticle in the hinge contributes to the spring mechanism through rapid recoil. Using spectral analysis and nonlinear system identification, we determine the equation of motion and model the beetle as a nonlinear single-degree-of-freedom oscillator. Quadratic damping and snap-through buckling are identified to be the dominant damping and elastic forces, respectively, driving the angular position during the energy release phase. The methods used in this study provide experimental and analytical guidelines for the analysis of extreme motion, starting from motion observation to identifying the forces causing the movement. Here, the tools demonstrated here can be applied to other organisms to enhance our understanding of the energy storage and release strategies small animals use to achieve extreme accelerations repeatedly.

59 BASIC BIOLOGICAL SCIENCES↗

Solving challenges in QCD 3D partonic distributions

The superior luminosity and high polarization of CEBAF, combined with the high resolution and excellent particle identification capabilities of its detectors, as well as the ability for multidimensional and multiparticle detection using polarized targets, make Jefferson Lab uniquely positioned to disentangle the genuine intrinsic transverse structure of hadrons encoded in 3D partonic distributions—particularly in the kinematic regime dominated by valence quarks. The inclusion of Jefferson Lab data on semi-inclusive and hard exclusive hadron production has the potential to dramatically advance our understanding of non-perturbative QCD dynamics. Although a wealth of data from various Jefferson Lab experiments is already available, its incorporation into phenomenological studies has been slow, and a significant portion of data from other leptoproduction experiments is still missing from global fits. In this contribution, we discuss the existing challenges and outline a path forward for improving the analysis of low center-of-mass electroproduction experiments in general, and Jefferson Lab data in particular.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

LDRD 226360 Final Project Report: Simulated X-ray Diffraction and Machine Learning for Optimizing Dynamic Experiment Analysis

This report is the final documentation for the one-year LDRD project 226360: Simulated X-ray Diffraction and Machine Learning for Optimizing Dynamic Experiment Analysis. As Sandia has successfully developed in-house X-ray diffraction tools for study of atomic structure in experiments, it has become increasingly important to develop computational analysis methods to support these experiments. When dynamically compressed lattices and orientations are not known a priori, the identification requires a cumbersome and sometimes intractable search of possible final states. These final states can include phase transition, deformation and mixed/evolving states. Our work consists of three parts: (1) development of an XRD simulation tool and use of traditional data science methods to match XRD patterns to experiments; (2) development of ML-based models capable of decomposing and identifying the lattice and orientation components of multicomponent experimental diffraction patterns; and (3) conducting experiments which showcase these new analysis tools in the study of phase transition mechanisms. Our target material has been cadmium sulfide, which exhibits complex orientation-dependent phase transformation mechanisms. In our current one-year LDRD, we have begun the analysis of high-quality c-axis CdS diffraction data from DCS and Thor experiments, which had until recently eluded orientation identification.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Carbon in the Allende meteorite - Evidence for poorly graphitized carbon rather than carbyne

A carbon-rich acid residue from the Allende carbonaceous chondrite was examined by high-resolution transmission electron microscopy (HRTEM) and also by analytical electron microscopy. A TEM mount of this residue that has previously been reported to contain carbyne forms of carbon was shown to contain sheet silicate contaminants. These sheet silicate grains give electron diffraction patterns similar to those reported for carbynes, thus raising questions about the previous report of carbynes in this residue. Furthermore, two crystals from a glacier microspherule, which had previously been identified as carbyne VIII, were shown by microanalysis to be talc. In view of these observations it is suggested that identifications of carbyne by electron diffraction should be supported by microanalyses of the individual grains. HRTEM investigations of the Allende carbon indicate that it is a poorly crystalline graphite, structurally similar to 'glassy' carbon

Smith, P. P. K.↗

Implications of information from LANDSAT-4 for private industry

The broader spectral coverage and higher resolution of LANDSAT-4 Thematic Mapper (TM) data open the door for identification from space of spectral phenomena associated with mineralization and microseepage of hydrocarbon. Digitally enhanced image products generated from TM data allow the mapping of many major and minor structural features that mark or influence emplacement of mineralization and accumulation of hydrocarbons. These improvements in capabilities over multispectral scanner data should accelerate the acceptance and integration of satellite data as a routinely used exploration tool that allows rapid examination of large areas in considerable detail. Imagery of Southern Ontario, Canada as well as of Cement, Oklahoma and Death Valley, California is discussed.

Everett, J. R.↗

A method for high order linear system reduction and nonlinear system simplification

Least-squares-type algorithms for reducing the order of linear systems in the frequency domain and simplifying nonlinear systems in time domain are developed and demonstrated. The possible model structures are represented as nodes in a tree, and costs along the branches are assigned using the repeated-Gram-Schmidt orthogonalization procedure of Desrochers and Saridis (1980), permitting identification of the optimal n-term model by searching the tree to depth n, with no need for parameter identification. The efficiency and flexibility of the algorithms is shown in applications to the eighth-order linear system studied by Hsia (1972), a three-state eight-nonlinear-term aircraft-dynamics problem, and the related linear-controller problem (Garrard and Jordan, 1977).

Desrochers, A. A.↗

Si3N4 emissivity and the unidentified infrared bands

Infrared spectroscopy of warm (about 150 to 750 K), dusty astronomical sources has revealed a structured emission spectrum which can be diagnostic of the composition, temperature, and in some cases, even size and shape of the grains giving rise to the observed emission. The identifications of silicate emission in oxygen rich objects and SiC in carbon rich object are two examples of this type of analysis. Cometary spectra at moderate resolution have similarly revealed silicate emission, tying together interstellar and interplanetary dust. However, Goebel has pointed out that some astronomical sources appear to contain a different type of dust which results in a qualitatively different spectral shape in the 8 to 13 micron region. The spectra shown make it appear unlikely that silicon nitride can be identified as the source of the 8 to 13 micron emission in either NGC 6572 or Nova Aql 1982. The similarity between the general wavelength and shape of the 10 micron emission from some silicates and that from the two forms of silicon nitride reported could allow a mix of cosmic grains which include some silicon nitride if only the 8 to 13 micron data are considered.

Russell, Ray W.↗

Reflectance spectra of Fe(2+)-Mg(2+) disordered pyroxenes: Implications to remote-sensed spectra of planetary surfaces

The reflectance spectra of Fe(2+)-Mg(2+) disordered orthopyroxenes are relevant to surfaces of terrestrial planets onto which basaltic magma has been extruded. If cooling rates of basalt lava flows were fast, equilibrium iron intersite partitioning may not have been achieved so that abnormal enrichments of Fe(2+) ions in M1 sites would occur. The two intense pyroxene Fe(2+) site CF bands in the 1 micron and 2 micron regions would continue to dominate the the reflectance spectra so that the pyroxene composition and structure type would be readily identified in telescopic spectral profiles. However, abnormal intensification of the Fe(2+)/M1 site CF band at 1.20 microns could lead to the false identification of olivine in remote sensed spectra because in pyroxene-olivine mixtures the inflection around 1.20 microns is the only spectral feature for detecting the presence of olivine. The identification of iron-bearing plagioclase feldspars, too, would be obscured by the pyroxene Fe(2+)/M1 site CF band at 1.20 microns. Such interference would be a major problem if in situ reflectance spectra could be measured on the surface of Venus where ambient temperatures are as high as 475 C. Disordering of Fe(2+) and Mg(2+) ions comparable to that in the orthopyroxenes used in this spectral chemical study might be expected in low Ca pyroxenes occurring on the Venusian surface. Researchers conclude that Fe(2+)/M1 site spectral features need to be carefully assessed in remote-sensed spectra before deductions are made about the presence of olivine on planetary surfaces.

Burns, Roger G.↗