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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 91 records · Page 5

3D–Integrated, Multi–Functional Carbon Fibers for Stable, High–Areal–Capacity Batteries

Increasing lithium-ion batteries' (LIBs) electrode areal capacity can boost energy density and lower manufacturing costs, but faces challenges in manufacturing, rate performance, and cycling stability. A conductive framework made of commercial micro-sized carbon fibers (Cfs) is presented that serves as a host for both the LiNi 0.5 Mn 0.3 Co 0.2 O 2 (NMC 532) cathode and Cfs anode. The Cf framework has multiple functions that offer high electronic conductivity (270 mS cm –1 ), low tortuosity (1.7), low Li + diffusion resistance (22 Ω), and high thermal conductivity (200 W mK –1 ). Additionally, the Cf-integrated electrodes can have an extremely high mass loading of NMC 532 (70 mg cm –2 ) with a theoretical capacity of 14 mAh cm –2 . Thus, the practical full cells assembled with the Cfs-enabled electrodes exhibit an initial areal capacity of 4.1 mAh cm –2 and capacity retention of 90.4% at 500 cycles at a cycling rate of C/3, 1.5 mA cm –2 . Data collected from the operando isothermal microcalorimetry suggest that full cells utilizing the Cf anode experience less heat release from side reactions compared to cells utilizing a conventional graphite anode. Finally, this present approach is scalable and cost-effective and can fabricate practical LIBs that boast high areal capacity, rate performance, and a lengthy cycling lifetime.

25 ENERGY STORAGE↗

Quantum-Inspired Maximizer

A report discusses an algorithm for a new kind of dynamics based on a quantum- classical hybrid-quantum-inspired maximizer. The model is represented by a modified Madelung equation in which the quantum potential is replaced by different, specially chosen 'computational' potential. As a result, the dynamics attains both quantum and classical properties: it preserves superposition and entanglement of random solutions, while allowing one to measure its state variables, using classical methods. Such optimal combination of characteristics is a perfect match for quantum-inspired computing. As an application, an algorithm for global maximum of an arbitrary integrable function is proposed. The idea of the proposed algorithm is very simple: based upon the Quantum-inspired Maximizer (QIM), introduce a positive function to be maximized as the probability density to which the solution is attracted. Then the larger value of this function will have the higher probability to appear. Special attention is paid to simulation of integer programming and NP-complete problems. It is demonstrated that the problem of global maximum of an integrable function can be found in polynomial time by using the proposed quantum- classical hybrid. The result is extended to a constrained maximum with applications to integer programming and TSP (Traveling Salesman Problem).

Zak, Michail↗

Integrated Locomotor Function Tests for Countermeasure Evaluation

Following spaceflight crewmembers experience locomotor dysfunction due to inflight adaptive alterations in sensorimotor function. Countermeasures designed to mitigate these postflight gait alterations need to be assessed with a new generation of tests that evaluate the interaction of various sensorimotor sub-systems central to locomotor control. The goal of the present study was to develop new functional tests of locomotor control that could be used to test the efficacy of countermeasures. These tests were designed to simultaneously examine the function of multiple sensorimotor systems underlying the control of locomotion and be operationally relevant to the astronaut population. Traditionally, gaze stabilization has been studied almost exclusively in seated subjects performing target acquisition tasks requiring only the involvement of coordinated eye-head movements. However, activities like walking involve full-body movement and require coordination between lower limbs and the eye-head-trunk complex to achieve stabilized gaze during locomotion. Therefore the first goal of this study was to determine how the multiple, interdependent, full-body sensorimotor gaze stabilization subsystems are functionally coordinated during locomotion. In an earlier study we investigated how alteration in gaze tasking changes full-body locomotor control strategies. Subjects walked on a treadmill and either focused on a central point target or read numeral characters. We measured: temporal parameters of gait, full body sagittal plane segmental kinematics of the head, trunk, thigh, shank and foot, accelerations along the vertical axis at the head and the shank, and the vertical forces acting on the support surface. In comparison to the point target fixation condition, the results of the number reading task showed that compensatory head pitch movements increased, peak head acceleration was reduced and knee flexion at heel-strike was increased. In a more recent study we investigated the adaptive remodeling of the full-body gaze control systems following exposure to visual-vestibular conflict. Subjects walked on a treadmill before and after a 30- minute exposure to 0.5X minifying during which self-generated sinusoidal vertical head rotations were performed while seated. Following exposure to visual-vestibular conflict subjects showed a restriction in compensatory head movements, increased knee and ankle flexion after heel-strike and a decrease in the rate of body loading during the rapid weight transfer phase after the heel strike event. Taken together, results from both studies provide evidence that the full body contributes to gaze stabilization during locomotion, and that different functional elements are responsive to changes in visual task constraints and are subject to adaptive alterations following exposure to visual-vestibular conflict. This information provides the basis for the design of a new generation of integrative tests that incorporate the evaluation of multiple neural control systems relevant to astronaut operational performance.

Bloomberg, J. J.↗

Deterministic Integration of Biological and Soft Materials onto 3D Microscale Cellular Frameworks

Complex 3D organizations of materials represent ubiquitous structural motifs found in the most sophisticated forms of matter, the most notable of which are in life-sustaining hierarchical structures found in biology, but where simpler examples also exist as dense multilayered constructs in high-performance electronics. Each class of system evinces specific enabling forms of assembly to establish their functional organization at length scales not dissimilar to tissue-level constructs. Furthermore, this study describes materials and means of assembly that extend and join these disparate systems—schemes for the functional integration of soft and biological materials with synthetic 3D microscale, open frameworks that can leverage the most advanced forms of multilayer electronic technologies, including device-grade semiconductors such as monocrystalline silicon. Cellular migration behaviors, temporal dependencies of their growth, and contact guidance cues provided by the nonplanarity of these frameworks illustrate design criteria useful for their functional integration with living matter (e.g., NIH 3T3 fibroblast and primary rat dorsal root ganglion cell cultures).

36 MATERIALS SCIENCE↗

Integrative Structure–Function Mapping of the Nucleoporin Nup133 Suggests a Conserved Mechanism for Membrane Anchoring of the Nuclear Pore Complex

The nuclear pore complex (NPC) is the sole passageway for the transport of macromolecules across the nuclear envelope. Nup133, a major component in the essential Y-shaped Nup84 complex, is a large scaffold protein of the NPC's outer ring structure. Here, we describe an integrative modeling approach that produces atomic models for multiple states of Saccharomyces cerevisiae (Sc) Nup133, based on the crystal structures of the sequence segments and their homologs, including the related Vanderwaltozyma polyspora (Vp) Nup133 residues 55 to 502 (VpNup133 55–502 ) determined in this study, small angle X-ray scattering profiles for 18 constructs of ScNup133 and one construct of VpNup133, and 23 negative-stain electron microscopy class averages of ScNup1332–1157. Using our integrative approach, we then computed a multi-state structural model of the full-length ScNup133 and validated it with mutational studies and 45 chemical cross-links determined via mass spectrometry. Finally, the model of ScNup133 allowed us to annotate a potential ArfGAP1 lipid packing sensor (ALPS) motif in Sc and VpNup133 and discuss its potential significance in the context of the whole NPC; we suggest that ALPS motifs are scattered throughout the NPC's scaffold in all eukaryotes and play a major role in the assembly and membrane anchoring of the NPC in the nuclear envelope. Our results are consistent with a common evolutionary origin of Nup133 with membrane coating complexes (the protocoatomer hypothesis); the presence of the ALPS motifs in coatomer-like nucleoporins suggests an ancestral mechanism for membrane recognition present in early membrane coating complexes.

59 BASIC BIOLOGICAL SCIENCES↗

Dynamic topography and gravity anomalies for fluid layers whose viscosity varies exponentially with depth

Adopting the formalism of Parsons and Daly (1983), analytical integral equations (Green's function integrals) are derived which relate gravity anomalies and dynamic boundary topography with temperature as a function of wavenumber for a fluid layer whose viscosity varies exponentially with depth. In the earth, such a viscosity profile may be found in the asthenosphere, where the large thermal gradient leads to exponential decrease of viscosity with depth, the effects of a pressure increase being small in comparison. It is shown that, when viscosity varies rapidly, topography kernels for both the surface and bottom boundaries (and hence the gravity kernel) are strongly affected at all wavelengths.

Revenaugh, Justin↗

Oscillators in a (2+1)-dimensional noncommutative space

We study the Harmonic and Dirac Oscillator problem extended to a three-dimensional noncommutative space where the noncommutativity is induced by the shift of the dynamical variables with generators of SL(2,R) in a unitary irreducible representation considered in Falomir et al. [Phys. Rev. D 86, 105035 (2012)]. This redefinition is interpreted in the framework of the Levi's decomposition of the deformed algebra satisfied by the noncommutative variables. The Hilbert space gets the structure of a direct product with the representation space as a factor, where there exist operators which realize the algebra of Lorentz transformations. The spectrum of these models are considered in perturbation theory, both for small and large noncommutativity parameters, finding no constraints between coordinates and momenta noncommutativity parameters. Since the representation space of the unitary irreducible representations SL(2,R) can be realized in terms of spaces of square-integrable functions, we conclude that these models are equivalent to quantum mechanical models of particles living in a space with an additional compact dimension.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Nanowire Array Structures for Photocatalytic Energy Conversion and Utilization: A Review of Design Concepts, Assembly and Integration, and Function Enabling

The increasing human demand for clean and renewable energy and a cleaner environment has stimulated various materials related research and development for efficient solar energy conversion and utilization, photocatalytic environmental remediation, and photoassisted selective conversion of organic compounds. Among the various candidate solutions to improving the efficiency of these processes, semiconductor nanowire (NW) and nanorod (NR) array structures have been offering a unique tool box combining desirable characteristics in structure, function, and applicability. Efficient photocatalytic energy conversion requires excellent light absorption, readily charge separation, transport, and collection, as well as fast kinetics of interfacial reactions and mass transport of reactants. The long axis of the NW enables adequate light absorption, while the radical axis provides short electron–hole separation distance. Additionally, the NW arrays have relatively high surface area to facilitate interfacial kinetics while their open pore structure allows good mass transport properties. This study reviews the current status of research on NW and NR array structures of some most popular semiconducting materials for photocatalytic energy conversion and utilization including photocatalytic water splitting and CO 2 reduction/fixation, dye/quantum dot sensitized solar cells, and other photoassisted reactive applications such as pollutant degradation, selective conversion of organic compounds, and biological disinfection.

Hoang, Son↗

Integrating density functional theory into reductive dechlorination research

Abstract Chlorinated organics have been frequently detected in groundwaters, threatening the quality of drinking water supplies worldwide. A promising method for groundwater remediation involves reductive dechlorination (RD), in which chlorine atoms are sequentially removed and substituted by hydrogen, producing less harmful byproducts. In this paper, for the first time, RD research is reviewed in light of the growing incorporation of density functional theory (DFT) as a research tool. DFT has been used to uncover a variety of reaction properties for a range of relevant groundwater pollutants, including 1,2,3‐trichloropropane, hexachlorobenzene, and various dioxins. DFT models have revealed the role of surface interactions in driving the kinetics of catalytically driven RD. Mechanisms involved with biologically mediated RD have also been elucidated with insights gleaned from DFT. Issues and challenges for future research are also discussed.

Das Schober, Jaya↗

Light-ray wave functions and integrability

Using integrability, we construct (to leading order in perturbation theory) the explicit form of twist-three light-ray operators in planar $\mathcal{N}$ = 4 SYM. This construction allows us to directly compute analytically continued CFT data at complex spin. We derive analytically the “magic” decoupling zeroes previously observed numerically. Using the Baxter equation, we also show that certain Regge trajectories merge together into a single unifying Riemann surface. Perhaps more surprisingly, we find that this unification of Regge trajectories is not unique. If we organize twist-three operators differently into what we call “cousin trajectories” we find infinitely more possible continuations. We speculate about which of these remarkable features of twist-three operators might generalize to other operators, other regimes and other theories.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Integrating Density Functional Theory Calculations with Vibrational and Nuclear Magnetic Resonance Spectroscopy

This review focuses on the complementary nature of density functional theory calculations and spectroscopic studies related to cellulose and its interactions within plant cell walls (PCWs). The complexity, structural disorder, and nanoscale nature of PCWs make them difficult to analyze and understand, but advances in sum-frequency generation and nuclear magnetic resonance spectroscopies as well as in density functional theory have made it possible to elucidate structure not observable previously. Combined with other techniques such as wide-angle X-ray scattering and neutron diffraction, details of PCW components (e.g., cellulose, lignin, pectin) and their interactions with one another can be elucidated. Furthermore, these techniques provide new insight into biological and biochemical studies and provide a basis for creating improved models of the PCWs.

36 MATERIALS SCIENCE↗

Computation and analysis

Direct summation of series involving higher transcendental functions, integrals of confluent hypergeometric functions, and computer methods for approximating continuous functions

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