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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
NASA NTRS2009

Computer Code for Nanostructure Simulation

Due to their small size, nanostructures can have stress and thermal gradients that are larger than any macroscopic analogue. These gradients can lead to specific regions that are susceptible to failure via processes such as plastic deformation by dislocation emission, chemical debonding, and interfacial alloying. A program has been developed that rigorously simulates and predicts optoelectronic properties of nanostructures of virtually any geometrical complexity and material composition. It can be used in simulations of energy level structure, wave functions, density of states of spatially configured phonon-coupled electrons, excitons in quantum dots, quantum rings, quantum ring complexes, and more. The code can be used to calculate stress distributions and thermal transport properties for a variety of nanostructures and interfaces, transport and scattering at nanoscale interfaces and surfaces under various stress states, and alloy compositional gradients. The code allows users to perform modeling of charge transport processes through quantum-dot (QD) arrays as functions of inter-dot distance, array order versus disorder, QD orientation, shape, size, and chemical composition for applications in photovoltaics and physical properties of QD-based biochemical sensors. The code can be used to study the hot exciton formation/relation dynamics in arrays of QDs of different shapes and sizes at different temperatures. It also can be used to understand the relation among the deposition parameters and inherent stresses, strain deformation, heat flow, and failure of nanostructures.

Filikhin, Igor↗
NASA NTRS2010

Long-Term Variations of the EOP and ICRF2

We analyzed the time series of the coordinates of the ICRF radio sources. We show that part of the radio sources, including the defining sources, shows a significant apparent motion. The stability of the celestial reference frame is provided by a no-net-rotation condition applied to the defining sources. In our case this condition leads to a rotation of the frame axes with time. We calculated the effect of this rotation on the Earth orientation parameters (EOP). In order to improve the stability of the celestial reference frame we suggest a new method for the selection of the defining sources. The method consists of two criteria: the first one we call cosmological and the second one kinematical. It is shown that a subset of the ICRF sources selected according to cosmological criteria provides the most stable reference frame for the next decade.

Zharov, Vladimir↗
DOE OSTI2024

Local spin structure in the layered van der Waals materials MnPS 𝑥 ⁢Se 3−𝑥

Two-dimensional (2D) layered materials, whether in bulk form or reduced to just a single layer, have potential applications in spintronics and capacity for advanced quantum phenomena. A prerequisite for harnessing these opportunities lies in gaining a comprehensive understanding of the spin behavior in 2D materials. The low dimensionality motivates an understanding of the spin correlations over a wide length scale, from local to long-range order. In this context, we focus on the magnetism in bulk MnPSe 3 and MnPS 3 , 2D layered van der Waals antiferromagnetic semiconductors. These materials have similar honeycomb Mn layers and magnetic ordering temperatures, but distinct spin orientations and exchange interactions. Here, we utilize neutron scattering to gain deeper insights into the local magnetic structures and spin correlations in the paramagnetic and ordered phases by systematically investigating a MnPS 𝑥 ⁢Se 3−𝑥 (𝑥 = 0, 1, 1.5, 2, 3) series of powder samples using total neutron scattering measurements. By employing magnetic pair distribution function analysis, we unraveled the short-range magnetic correlations in these materials and explored how the nonmagnetic anion S/Se mixing impacts the magnetic correlations. The results reveal that the magnetism can be gradually tuned through alteration of the nonmagnetic S/Se content, which tunes the atomic structure. The change in magnetic structure is also accompanied by a control of the magnetic correlation length within the 2D honeycomb layers. Complimentary inelastic neutron scattering measurements allowed a quantification of the change in the magnetic exchange interactions for the series and further highlighted the gradual evolution of spin interactions in the series MnPS 𝑥 ⁢Se 3−𝑥 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1990

Thickness and orientational design for a maximum stiff membrane

Recent results from sensitivity analysis for strain energy with anisotropic elasticity are applied to thickness and orientational design of laminated membranes. Primarily, the first order gradients of the total elastic energy are used in an optimality criteria based method. This traditional method is shown to give slow convergence with respect to design parameters, although the convergence of strain energy is very good. To get a deeper insight into this rather general characteristic, second order derivatives are included and it is shown how they can be obtained by first order sensitivity analysis. Examples of only thickness design, only orientational design, and combined thickness--orientational design are presented.

Pedersen, Pauli↗
DOE OSTI2022

Topological antiferromagnetic semimetal for spintronics: A case study of a layered square-net system EuZnSb 2

Here, we use the first-principles and effective Hamiltonian methods to study the electronic structure and magnetic properties of a recently synthesized layered antiferromagnetic square-net topological semimetal EuZnSb2 [Phys. Rev. Res. 2, 033462 (2020)]. The main message of the paper is that effects of small changes in the band structure produced by the magnetic ordering and changes in the orientation of the Néel vector are amplified in such transport properties as the spin Hall conductivity. We predict that the effects of the broken symmetry introduced by the ordering of the Néel vector, being very weak in the bulk, are pronounced in the surface electronic dispersion, suggesting that surface probes may be more suited to measure them. The coexistence of the magnetism with many other competing phases make this material interesting and possibly useful for quantum spintronics applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1993

The effect of scene content on speed, time, and distance perception

Helicopter flights performed at low-levels place high demands on pilots; they must simultaneously control the vehicle, avoid obstacles, and navigate. Therefore, pilots must correlate cues viewed in the external scene with information on map in order to maintain their geographical orientation. This is a particularly difficult task when helicopter pilots fly through visually unfamiliar terrain without highly detailed maps. As a result, pilots must often use estimates of elapsed time, distance traveled, and/or average speed in order to maintain a flight path indicated on a map during flight segments when these cues are absent. Therefore, the current study is concerned with the perception of speed, time, and distance, which we assume underlies the ability to orient oneself during these types of flight segments.

Awe, Cynthia A.↗
DOE OSTI2020

Probing Charge Ordering in Fractional Mixed-Valence Charge Density Wave Systems with Oriented HERFD-XANES Spectroscopy

In this paper, we present oriented Pt L III edge high energy resolution fluorescence detected X-ray absorption near edge structure (HERFD-XANES) measurements on a series of structurally tunable quasi-one-dimensional mixed-valence platinum-halide linear chain materials, [Pt(en) 2 ][Pt(en) 2 X 2 ](ClO 4 ) 4 with X = Cl, Br, I, together with ab initio modeling of the spectral components and electronic structure. The materials exhibit a commensurate charge density wave (CDW) with an amplitude controlled by the bridging halide ion, giving rise to fractional mixed valence states. Ab initio FEFF9 modeling of the spectra and the associated angular momentum projected density of states (lDOS) are used to interpret the results, revealing systematic changes in the platinum orbital occupancy through the series of materials that reflect the fractional mixed valence states of the CDW. A significant contribution to a post-edge feature in the oriented spectra is identified as resulting from quantum interference between the final states of the X-ray absorption transition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

Theory and simulation of cometary shocks

In this paper, recent kinetic simulation studies of cometary bow shocks are reviewed. Cometary shocks are formed due to solar wind mass loading by water group cometary ions. This process is kinetic in nature and varies as a function of the angle between the solar wind flow velocity and the interplanetary magnetic field, as do the properties of cometary shocks. For perpendicular and parallel orientations, quasi-steady shocks with dissipation scales on the order of proton inertial length form. At oblique orientations, no steady shocks are formed; instead, the transition from supersonic to subsonic flow takes place through multiple shocklets (steepened magnetosonic waves) which are generated by the pickup ions via the resonant electromagnetic ion beam instability. This new, time dependent model of cometary bow shocks is further investigated using a large scale kinetic simulation and is compared to the observations at Comet Giacobini-Zinner.

Omidi, N.↗
DOE OSTI2022

Accelerating high-order mesh optimization using finite element partial assembly on GPUs

In this paper we present a new GPU-oriented mesh optimization method based on high order finite elements. Our approach relies on node movement with fixed topology, through the Target-Matrix Optimization Paradigm (TMOP) and uses a global nonlinear solve over the whole computational mesh, i.e., all mesh nodes are moved together. A key property of the method is that the mesh optimization process is recast in terms of finite element operations, which allows us to utilize recent advances in the field of GPU-accelerated high order finite element algorithms. For example, we reduce data motion by using tensor factorization and matrix-free methods, which have superior performance characteristics compared to traditional full finite element matrix assembly and offer advantages for GPU based HPC hardware. Furthermore, we describe the major mathematical components of the method along with their efficient GPU-oriented implementation. In addition, we propose an easily reproducible mesh optimization test that can serve as a performance benchmark for the mesh optimization community.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2005

Humanoid Robotics: Real-Time Object Oriented Programming

Programming of robots in today's world is often done in a procedural oriented fashion, where object oriented programming is not incorporated. In order to keep a robust architecture allowing for easy expansion of capabilities and a truly modular design, object oriented programming is required. However, concepts in object oriented programming are not typically applied to a real time environment. The Fujitsu HOAP-2 is the test bed for the development of a humanoid robot framework abstracting control of the robot into simple logical commands in a real time robotic system while allowing full access to all sensory data. In addition to interfacing between the motor and sensory systems, this paper discusses the software which operates multiple independently developed control systems simultaneously and the safety measures which keep the humanoid from damaging itself and its environment while running these systems. The use of this software decreases development time and costs and allows changes to be made while keeping results safe and predictable.

Newton, Jason E.↗
DOE OSTI2020

Single crystal neutron and magnetic measurements of Rb 2 Mn 3 (VO 4 ) 2 CO 3 and K 2 Co 3 (VO 4 ) 2 CO 3 with mixed honeycomb and triangular magnetic lattices

Two new alkali vanadate carbonates with divalent transition metals have been synthesized as large single crystals via a high-temperature (600 °C) hydrothermal technique. Compound I, Rb 2 Mn 3 (VO 4 ) 2 CO 3 , crystallizes in the trigonal crystal system in the space group P[3 with combining macron]1c, and compound II, K 2 Co 3 (VO 4 ) 2 CO 3 , crystallizes in the hexagonal space group P6 3 /m. Both structures contain honeycomb layers and triangular lattices made from edge-sharing MO 6 octahedra and MO 5 trigonal bipyramids, respectively. The honeycomb and triangular layers are connected along the c-axis through tetrahedral [VO 4 ] groups. The MO 5 units are connected with each other by carbonate groups in the ab-plane by forming a triangular magnetic lattice. The difference in space groups between I and II was also investigated with Density Functional Theory (DFT) calculations. Single crystal magnetic characterization of I indicates three magnetic transitions at 77 K, 2.3 K, and 1.5 K. The corresponding magnetic structures for each magnetic transition of I were determined using single crystal neutron diffraction. At 77 K the compound orders in the MnO 6 -honeycomb layer in a Néel-type antiferromagnetic orientation while the MnO 5 triangular lattice ordered below 2.3 K in a colinear ‘up–up–down’ fashion, followed by a planar ‘Y’ type magnetic structure. K 2 Co 3 (VO 4 ) 2 CO 3 (II) exhibits a canted antiferromagnetic ordering below T N = 8 K. Here, the Curie–Weiss fit (200–350 K) gives a Curie–Weiss temperature of –42 K suggesting a dominant antiferromagnetic coupling in the Co 2+ magnetic sublattices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Unraveling the Unconventional Order of a High-Mobility Indacenodithiophene-Benzothiadiazole Copolymer

We report a new class of donor–acceptor (D-A) copolymers found to produce high charge carrier mobilities competitive with amorphous silicon (>1 cm 2 V –1 s –1 ) exhibit the puzzling microstructure of substantial local order, however lacking long-range order and crystallinity previously deemed necessary for achieving high mobility. Here, we demonstrate the application of low-dose transmission electron microscopy to image and quantify the nanoscale and mesoscale organization of an archetypal D-A copolymer across areas comparable to electronic devices (≈9 μm 2 ). The local structure is spatially resolved by mapping the backbone (001) spacing reflection, revealing nanocrystallites of aligned polymer chains throughout nearly the entire film. Analysis of the nanoscale structure of its ordered domains suggests significant short- and medium-range order and preferential grain boundary orientations. Moreover, we provide insights into the rich, interconnected mesoscale organization of this new family of D-A copolymers by analysis of the local orientational spatial autocorrelations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2007

A Distributed Trajectory-Oriented Approach to Managing Traffic Complexity

In order to handle the expected increase in air traffic volume, the next generation air transportation system is moving towards a distributed control architecture, in which ground-based service providers such as controllers and traffic managers and air-based users such as pilots share responsibility for aircraft trajectory generation and management. While its architecture becomes more distributed, the goal of the Air Traffic Management (ATM) system remains to achieve objectives such as maintaining safety and efficiency. It is, therefore, critical to design appropriate control elements to ensure that aircraft and groundbased actions result in achieving these objectives without unduly restricting user-preferred trajectories. This paper presents a trajectory-oriented approach containing two such elements. One is a trajectory flexibility preservation function, by which aircraft plan their trajectories to preserve flexibility to accommodate unforeseen events. And the other is a trajectory constraint minimization function by which ground-based agents, in collaboration with air-based agents, impose just-enough restrictions on trajectories to achieve ATM objectives, such as separation assurance and flow management. The underlying hypothesis is that preserving trajectory flexibility of each individual aircraft naturally achieves the aggregate objective of avoiding excessive traffic complexity, and that trajectory flexibility is increased by minimizing constraints without jeopardizing the intended ATM objectives. The paper presents conceptually how the two functions operate in a distributed control architecture that includes self separation. The paper illustrates the concept through hypothetical scenarios involving conflict resolution and flow management. It presents a functional analysis of the interaction and information flow between the functions. It also presents an analytical framework for defining metrics and developing methods to preserve trajectory flexibility and minimize its constraints. In this framework flexibility is defined in terms of robustness and adaptability to disturbances and the impact of constraints is illustrated through analysis of a trajectory solution space with limited degrees of freedom and in simple constraint situations involving meeting multiple times of arrival and resolving a conflict.

Idris, Husni↗
NASA NTRS1984

Environmental effects on the dynamics and control of an orbiting large flexible antenna system

Solar radiation pressure on the vibrating antenna structure, temperature gradients induced by solar heating, and stabilizing gravity-gradient torques were considered when the linear regulator theory was used to obtain orientation and shape control of a hoop/column antenna system being considered for the land mobile satellite system. A finite element model of the antenna system which includes all six rigid modes and seven flexible modes was used. Results show that the environmental disturbances affect only the rigid modes of the structure. The effect of solar radiation pressure interacting with the vibrating system is smaller than the solar radiation pressure acting on the thermally deformed structure. To reduce control effort in order to maintain shape and orientation, thermal deformations must be minimized in the preliminary design of the system.

Krishna, R.↗
NASA NTRS1984

Environmental effects on the dynamics and control of an orbiting large flexible antenna system

Solar radiation pressure on the vibrating antenna structure, temperature gradients induced by solar heating, and stabilizing gravity-gradient torques were considered when the linear regulator theory was used to obtain orientation and shape control of a hoop/column antenna system being considered for the land mobile satellite system. A finite element model of the antenna system which includes all six rigid modes and seven flexible modes was used. Results show that the environmental disturbances affect only the rigid modes of the structure. The effect of solar radiation pressure interacting with the vibrating system is smaller than the solar radiation pressure acting on the thermally deformed structure. To reduce control effect in order to maintain shape and orientation, thermal deformations must be minimized in the preliminary design of the system.

Krishna, R.↗
NASA NTRS1984

On the use of a sunward-libration-point orbiting spacecraft as an IMF monitor for magnetospheric studies

Magnetospheric studies often require knowledge of the orientation of the IMF. In order to test the accuracy of using magnetometer data from a spacecraft orbiting the sunward libration point for this purpose, the angle between the IMF at ISEE 3, when it was positioned around the libration point, and at ISEE 1, orbiting Earth, has been calculated for a data set of two-hour periods covering four months. For each period, a ten-minute average of ISEE 1 data is compared with ten-minute averages of ISEE 3 data at successively lagged intervals. At the lag time equal to the time required for the solar wind to convect from ISEE 3 to ISEE 1, the median angle between the IMF orientation at the two spacecraft is 20 deg, and 80% of the cases have angles less than 38 deg. The results for the angles projected on the y-z plane are essentially the same.

Kelly, T. J.↗
DOE OSTI2025

Highly tail-asymmetric lipids interdigitate and cause bidirectional ordering

Phospholipids form structurally and compositionally diverse membranes. A less studied type of compositional diversity involves phospholipid tail variety. Some phospholipids contain two acyl tails which differ in length. These tail-asymmetric lipids are shown to contribute to temperature sensitivity, oxygen adaptability, and membrane fluidity. Membranes of a highly virulent intracellular bacterium, Francisella tularensis, contain highly tail-asymmetric 1-lignoceroyl-2-decanoyl-sn-glycero-3-phosphatidylethanolamine (XJPE) lipids which were previously shown to inhibit inflammatory responses in host cells. XJPE tails have unusually high asymmetry, and how they contribute to membrane properties on a molecular level is unknown. Here, we use small angle X-ray scattering and molecular dynamics simulations to investigate how varying XJPE ratios alters properties of simple membranes. Our results demonstrate that at high concentration they promote liquid-to-gel transition in otherwise liquid membranes, while at low concentration they are tolerated well, minimally altering membrane properties. In liquid membranes, XJPE lipids dynamically adopt two main conformations; with the long tail extended into the opposing leaflet or bent-back residing in its own leaflet. When added to both leaflets XJPE primarily adopts an extended confirmation, while asymmetric addition results in more bent-back orientations. The former increases tail ordering and the latter decreases it. XJPE tails adopt different conformations that induce composition- and leaflet-dependent bidirectional effect on membrane fluidity and this suggests that Francisella tularensis could use tail asymmetry to facilitate vesicle fusion and destabilize host cells. The effect of tail-asymmetric lipids on complex membranes should be further investigated to reveal the regulatory roles of high tail asymmetry.

59 BASIC BIOLOGICAL SCIENCES↗