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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
NASA NTRS2014

Viscoelastic Response of the Titanium Alloy Ti-6-4: Experimental Identification of Time- and Rate-Dependent Reversible and Irreversible Deformation Regions

In support of an effort on damage prognosis, the viscoelastic behavior of Ti-6Al-4V (Ti-6-4) was investigated. This report documents the experimental characterization of this titanium alloy. Various uniaxial tests were conducted to low load levels over the temperature range of 20 to 538 C to define tensile, creep, and relaxation behavior. A range of strain rates (6x10(exp -7) to 0.001/s) were used to document rate effects. All tests were designed to include an unloading portion, followed by a hold time at temperature to allow recovery to occur either at zero stress or strain. The titanium alloy was found to exhibit viscoelastic behavior below the "yield" point and over the entire range of temperatures (although at lower temperatures the magnitude is extremely small). These experimental data will be used for future characterization of a viscoelastic model.

stress relaxation↗
DOE OSTI2021

Widespread Negative Longitudinal Piezoelectric Responses in Ferroelectric Crystals with Layered Structures

In this study, we investigate the underlying mechanisms of the universal negative piezoelectricity in low-dimensional layered materials by carrying out first-principles calculations. Two-dimensional layered ferroelectric CuInP 2 S 6 is analyzed in detail as a typical example, but the theory can be applied to any other low-dimensional layered piezoelectrics. Consistent with the theory proposed in [Phys. Rev. Lett. 119, 207601 (2017), the anomalous negative piezoelectricity in CuInP 2 S 6 also results from its negative clamped-ion term, which cannot be compensated by the positive internal-strain part. Here, we focus on a more general rule by proposing that having a negative clamped-ion term should be universal among piezoelectric materials, which is attributed to the “lag of Wannier center” effect. The internal-strain term, which is the change in polarization due to structural relaxation in response to strain, is mostly determined by the spatial structure and chemical bonding of the material. In a low-dimensional layered piezoelectric material such as CuInP 2 S 6 , the internal-strain term is approximately zero. This is because the internal structure of the molecular layers, which are bonded by the weak van der Waals interaction, responds little to the strain. As a result, the magnitude of the dipole, which depends strongly on the dimension and structure of the molecular layer, also has a small response with respect to strain. An equation bridging the internal strain responses in low-dimensional and three-dimensional piezoelectrics is also derived to analytically express this point. This work aims to deepen our understanding about this anomalous piezoelectric effect, especially in low-dimensional layered materials, and provide strategies for discovering materials with novel electromechanical properties.

2-dimensional systems↗
DOE OSTI2023

Microstructure characterization and elastic-plastic self-consistent simulation studies of anisotropic deformation of β -tin

Uniaxial compression tests of 99.9% pure polycrystalline $β$-tin (Sn) were conducted at various strain rates (10 -3 /s, 10 -1 /s and 1/s) and temperatures (294 K and 193 K) to understand the effects of these variables on the stress–strain response, microstructure evolution, and stress relaxation behavior. Multiple Sn specimens were subjected to complex compressive loading/unloading/reloading paths at different strain rates. Specimens initially compressed at higher strain rates showed strain rate-dependent texture evolution and more pronounced relaxation upon reloading, as compared to those pre-strained at lower rates at room temperature (RT). Compression tests conducted at low temperature (193 K) revealed increased strength, similar to the enhanced strength observed when the strain rate was increased at RT. Neutron diffraction was employed to characterize the initial and final bulk textures of the RT specimens. Electron backscatter diffraction was utilized to examine the crystallographic grain orientation and morphology, thereby identifying the signatures of dislocation-mediated deformation, grain refinement, recrystallization, and twinning behaviors. Elastic-plastic self-consistent simulations were performed to investigate the deformation modes responsible for the strain rate-dependent macroscopic stress–strain response and texture evolution. Effects of crystallographic orientation on stress relaxation behavior was also examined. In conclusion, the model predictions are in reasonable agreement with experimental observations.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Estimating the energy threshold of phonon-mediated superconducting qubit detectors operated in an energy-relaxation sensing scheme

In recent years, the lack of a conclusive detection of weakly interacting massive particle dark matter at the 10 GeV/c 2 mass scale and above has encouraged development of low-threshold detector technology aimed at probing lighter dark matter candidates. Detectors based on Cooper-pair-breaking sensors have emerged as a promising avenue for this detection due to the low (meV-scale) energy required for breaking a Cooper pair in most superconductors. Among them, devices based on superconducting qubits are interesting candidates for sensing due to their observed sensitivity to broken Cooper pairs. Here, we have developed an end-to-end G 4 CMP -based simulation framework and have used it to evaluate performance metrics of qubit-based devices operating in a gate-based “energy relaxation” readout scheme, akin to those used in recent studies of qubit sensitivity to ionizing radiation. We find that for this readout scheme, the qubit acts as a phonon sensor with an energy threshold ranging down to ≃ 0.4 eV for near-term performance parameters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1999

Experimental Observations on a Low Strain Counter-Flow Diffusion Flame: Flow and Bouyancy Effects

Diffusion flames are of great interest in fire safety and many industrial processes. The counter-flow configuration provides a constant strain flow, and therefore is ideal to study the structure of diffusion flames. Most studies have concentrated on the high velocity, high strain limit, since buoyantly induced instabilities will disintegrate the planar flame as the velocity decreases. Only recently, experimental studies in microgravity conditions have begun to explore the low strain regimes. Numerical work has shown the coupling between gas phase reaction rates, soot reaction rates, and radiation. For these programs, size, geometry and experimental conditions have been chosen to keep the flame unaffected by the physical boundaries. When the physical boundaries can not be considered infinitely far from the reaction zone discrepancies arise. A computational study that includes boundary effects and accounts for the deviations occurring when the major potential flow assumptions are relaxed was presented by Borlik et al. This development properly incorporates all heat loss terms and shows the possibility of extinction in the low strain regime. A major constraint of studying the low strain regime is buoyancy. Buoyant instabilities have been shown to have a significant effect on the nature of reactants and heat transport, and can introduce instabilities on the flow that result in phenomena such as flickering or fingering. The counter-flow configuration has been shown to provide a flame with no symmetry disrupting instabilities for inlet velocities greater than 50 mm/s. As the velocity approaches this limit, the characteristic length of the experiment has to be reduced to a few millimetres so as to keep the Rayleigh number (Ra L = (β g 0 L 3 ∆T)/(𝑎v)) below 2000. In this work, a rectangular counter-flow burner was used to study a two-dimensional counter-flow diffusion flame. Flow visualisation and Particle Image Velocimetry served to describe the nature of the stagnation plane for strain rates smaller than 100 (1/s). These experiments were conducted with a non-reacting flow. Video images of a propane air diffusion flame were used to describe the behaviour of a diffusion flame in this regime. Flame geometry and pulsation frequency are described.

J. A. Sutula↗
DOE OSTI2022

Investigation of plasmon relaxation mechanisms using nonadiabatic molecular dynamics

Hot carriers generated from the decay of plasmon excitation can be harvested to drive a wide range of physical or chemical processes. However, their generation efficiency is limited by the concomitant phonon-induced relaxation processes by which the energy in excited carriers is transformed into heat. However, simulations of dynamics of nanoscale clusters are challenging due to the computational complexity involved. Here, in this paper, we adopt our newly developed Trajectory Surface Hopping (TSH) nonadiabatic molecular dynamics algorithm to simulate plasmon relaxation in Au 20 clusters, taking the atomistic details into account. The electronic properties are treated within the Linear Response Time-Dependent Tight-binding Density Functional Theory (LR-TDDFTB) framework. The relaxation of plasmon due to coupling to phonon modes in Au 20 beyond the Born–Oppenheimer approximation is described by the TSH algorithm. The numerically efficient LR-TDDFTB method allows us to address a dense manifold of excited states to ensure the inclusion of plasmon excitation. Starting from the photoexcited plasmon states in Au 20 cluster, we find that the time constant for relaxation from plasmon excited states to the lowest excited states is about 2.7 ps, mainly resulting from a stepwise decay process caused by low-frequency phonons of the Au 20 cluster. Furthermore, our simulations show that the lifetime of the phonon-induced plasmon dephasing process is ~10.4 fs and that such a swift process can be attributed to the strong nonadiabatic effect in small clusters. Our simulations demonstrate a detailed description of the dynamic processes in nanoclusters, including plasmon excitation, hot carrier generation from plasmon excitation dephasing, and the subsequent phonon-induced relaxation process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

A fast implicit solver for semiconductor models in one space dimension

Several different approaches are proposed for solving fully implicit discretizations of a simplified Boltzmann-Poisson system with a linear relaxation-type collision kernel. This system models the evolution of free electrons in semiconductor devices under a low-density assumption. At each implicit time step, the discretized system is formulated as a fixed-point problem, which can then be solved with a variety of methods. A key algorithmic component in all the approaches considered here is a recently developed sweeping algorithm for Vlasov-Poisson systems. A synthetic acceleration scheme has been implemented to accelerate the convergence of iterative solvers by using the solution to a drift-diffusion equation as a preconditioner. The performance of four iterative solvers and their accelerated variants has been compared on problems modeling semiconductor devices with various electron mean-free-path.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Associative polymers with controlled sticker placement: How reversible bond distribution and density govern polymer dynamics

Associative polymers with precisely arranged stickers offer opportunities to program material properties with molecular precision. Yet, it remains unclear how the placement and fraction of stickers dictate structure, dynamics, and macroscopic properties. By developing a model unentangled polymer system with hydrogen-bonding stickers, we show that randomly distributed stickers neither form clusters nor change flow properties, whereas stickers placed at chain ends drive nanocluster formation even at low concentrations. Adding more end stickers produces a rubbery plateau spanning eight decades in frequency with two distinct relaxation timescales, in contrast to the single plateau predicted by the classic sticky Rouse model. These results demonstrate that sticker distribution dictates whether associative polymers undergo nanocluster formation or microphase separation, while substantial alterations in dynamics and viscoelasticity require both sticker aggregation and thermomechanical stability of associated domains. Our findings resolve a longstanding debate on associative polymer dynamics and provide molecular design rules for programmable soft materials.

36 MATERIALS SCIENCE↗
NASA NTRS1980

Active controls for flutter suppression and gust alleviation in supersonic aircraft

Application is made in the present paper of the recently developed relaxed aerodynamic energy concept and synthesis techniques to the definition of appropriate active control systems for the low-speed flutter model of the B-2707-300 supersonic cruise airplane. The effectiveness of the resulting activated systems is analytically tested for flutter suppression, wing root bending moment alleviation, and ride control (fuselage accelerations). The results obtained indicate that considerable increase in flutter speeds can be obtained by the various control systems, using a single trailing-edge control. In all cases, the flutter suppression control system led to a substantial reduction in both wing root bending moments and in fuselage and wing accelerations.

Nissim, E.↗
NASA NTRS1985

Critical Transport Phenomena in Fluid Helium Under Low Gravity

The feasibility of carrying out measurements of certain critical transport properties of pure fluid under conditions of low gravity was studied. These properties are the thermal conductivity, kappa, the shear viscosity zeta and the diffusive relaxation time tau, which are predicted to diverge (tend to infinity) as the liquid-vapor critical point is approached. However, in this critical region, the Earth's gravity effect becomes very important. As the critical point is approached, the gravity effects increasingly distort the results. The reason for this is that the compressibility of the fluid also diverges and under the influence of gravity causes a vertical density gradient in the fluid, which is significant even when very thin fluid layers (typically 1 mm high) are being used. The result is that the temperature dependence of kappa, zeta, and tau tends to flatten off as T sub c is approached instead of continuing to increase, and therefore the predictions from the renormalization group and mode coupling theories cannot be subjected to a satisfactory test.

Meyer, H.↗
NASA NTRS1993

Adaptive array antenna for satellite cellular and direct broadcast communications

Adaptive phased-array antennas provide cost-effective implementation of large, light weight apertures with high directivity and precise beamshape control. Adaptive self-calibration allows for relaxation of all mechanical tolerances across the aperture and electrical component tolerances, providing high performance with a low-cost, lightweight array, even in the presence of large physical distortions. Beam-shape is programmable and adaptable to changes in technical and operational requirements. Adaptive digital beam-forming eliminates uplink contention by allowing a single electronically steerable antenna to service a large number of receivers with beams which adaptively focus on one source while eliminating interference from others. A large, adaptively calibrated and fully programmable aperture can also provide precise beam shape control for power-efficient direct broadcast from space. Advanced adaptive digital beamforming technologies are described for: (1) electronic compensation of aperture distortion, (2) multiple receiver adaptive space-time processing, and (3) downlink beam-shape control. Cost considerations for space-based array applications are also discussed.

Horton, Charles R.↗
NASA NTRS1995

Hubble Space Telescope imaging of a radio-quiet galaxy at redshift z = 3.4

We have observed with the Wide Field/Planetary Camera (WF/PC) on the Hubble Space Telescope (HST) a radio-quiet Ly alpha-emitting galaxy at redshift z = 3.428 (G2 below). The images probe the rest-frame UV light around 1250 A with an angular resolution of approx. = 0.1 sec, corresponding to 1.4 h(exp -1, sub 50) kpc at redshift z = 3.4 (in this Letter we use q(sub 0) = 0 and H(sub 0) = 50 h(exp -1, sub 50) km/s/Mpc). The light profile of the central approx. 10h(exp -1, sub 50) kpc region is well fitted by an r(exp 1/4) law with r(sub e) approx. = 1.3 h(exp -1, sub 50) kpc, suggesting a dynamically relaxed state. The outer regions are characterized by the presence of substructures, such as an elongated formation and low surface brightness nebulosities. The isophotal analysis shows no evidence of an active galactic nuclei (AGN)-like unresolved source in the center. The structural properties of G2 are consistent with a dynamically hot stellar system observed during an early phase of star formation, very likely the progenitor of an elliptical or the bulge of a spiral galaxy.

Giavalisco, Mauro↗
NASA NTRS1984

Report of the Panel on Guidance, Navigation, and Control

Guidance, navigation, and control (GNC) systems have historically been vital to improving operational capability of aircraft. The development of autopilots and electronic navigation systems has greatly aided the crew in flying precise routes in all weather conditions while at the same time reducing pilot workload. Advances in high-integrity onboard computing and electronics technology have resulted in a significant increase in the capability of these subsystems to perform more reliably, efficiently, and safely. Onboard computing and control system capability has provided new design approaches for the aircraft designer. By using automatic control systems to stabilize the aircraft, the designer can relax certain conventional aerodynamic stability requirements and achieve aircraft performance benefits. Thus, modern fighter aircraft are designed with low levels, or in fact, negative levels of longitudinal static stability to boost maneuvering capability and cruise performance, relying on the use of full-time, full-authority automatic stability augmentation systems to stabilize the aircraft. During the next 20 years, GNC systems will become a driving force in aircraft design. Instead of making separately designed major aircraft systems work together, the designer will exploit the interaction and integration of aerodynamic, structural, and propulsion system controls to provide a better aircraft. The benefits of such integrated designs have been demonstrated already. Integrated digital control of the engine inlet and autopilot systems on a NASA YF-12 research aircraft resulted in a range increase of 7 percent. A civil transport derivative using extensions on each wing and an active control system to minimize the requirement for structural modifications achieved significant cruise performance improvements. These are first-generation applications of advanced GNC systems. More significant benefits are achievable by the year 2000. Complete integration of aerodynamic, propulsion and structural controls, and mission avionics will provide dramatically better aircraft performance, new capability (low observability, supermaneuverability) and/or improved mission effectiveness. This requires a concurrent, multidisciplinary design approach early in the design stage. The role of advanced GNC systems in future aircraft is not an option.

Fraser, Donald C.↗
DOE OSTI2023

Implementation of a drive cylinder for low collisional experiments on magnetic reconnection

For most laboratory plasma experiments, Coulomb collisions between the particle species are sufficiently frequent that the particle distribution functions are relaxed to a near-Maxwellian form. This hampers the applicability of such experiments to phenomena observed in tenuous and near-collisionless space plasma. The Terrestrial Reconnection EXperiment (TREX) at the Wisconsin Plasma Physics Laboratory aims to study collisionless reconnection for parameters relevant to the Earth’s magnetosphere. To reduce the role of collisional effects, a reconnection Drive Cylinder has been developed, which increases both the effective system size of the TREX configuration and the rate at which reconnection can be driven. These two effects now permit TREX to reach a kinetic reconnection regime where collisional effects are minimized. The Drive Cylinder is comprised of 12 single loop drive-coils connected in parallel to a 10 kV capacitor bank. Insulated sheets of aluminum are applied to smooth the magnetic fields and enhance the drive efficiency. Following is a description of the technical details and performance of the Drive Cylinder.

Instruments & Instrumentation↗
NASA NTRS1987

A versatile and low order hybrid stress element for general shell geometry

A hybrid stress general shell element is developed based on the Hellinger-Reissner principle modified for relaxed element compatibility conditions. The element is based on a consistent first order thin shell theory with Love Kirchhoff hypotheses. It is of quadrilateral shape with only four corner nodes and five degrees of freedom per node. The geometry of the element is approximated through a bi-cubic polynomial surface patch. Numerical examples consist of torsion-loaded slit cylinder and pinched cylinder with open ends and rigid diaphragmed ends. Also, the representation of the rigid body motion is studied by series of parametric eigenvalue analysis of the stiffness matrix.

Kang, David S.↗
DOE OSTI2024

Scalable semidefinite programming approach to variational embedding for quantum many-body problems

In quantum embedding theories, a quantum many-body system is divided into localized clusters of sites which are treated with an accurate ‘high-level’ theory and glued together self-consistently by a less accurate ‘low-level’ theory at the global scale. The recently introduced variational embedding approach for quantum many-body problems combines the insights of semidefinite relaxation and quantum embedding theory to provide a lower bound on the ground-state energy that improves as the cluster size is increased. The variational embedding method is formulated as a semidefinite program (SDP), which can suffer from poor computational scaling when treated with black-box solvers. Here, we exploit the interpretation of this SDP as an embedding method to develop an algorithm which alternates parallelizable local updates of the high-level quantities with updates that enforce the low-level global constraints. Moreover, we show how translation invariance in lattice systems can be exploited to reduce the complexity of projecting a key matrix to the positive semidefinite cone.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Vibrational Spin-Orbit Coupling Contributions to Excited State Decay of Ligand-to-Ligand Charge Transfer States

Controlling excited state relaxation processes is important in a variety of photochemical and photophysical processes, including the generation of ground and excited state spin polarization for quantum information science applications. Here, we address how specific static distortions – based on vibrational spin-orbit active modes at C2v symmetry determined by group theory – in a series of low-symmetry ligand-to-ligand charge transfer complexes enable direct spin-orbit coupling contributions to T1 → S0 excited state decay. These results are used to address spin-vibronic coupling contributions to T1 → S0 decay in a high-symmetry (tBu2bpy)Pt(S,S) (tBu2bpy = 4,4’-di-tert-butyl-2,2’-bipyridine and S,S = benzene-1,2-dithiolate) ligand-to-ligand charge transfer complex with effective C2v symmetry, where T1 relaxation is both spin- and orbitally forbidden due to the direct spin-orbit coupling matrix element being zero by symmetry. Low-frequency vibrations that involve a pyridine-pyridine twisting motion within the bpy ligand generate large ∂/∂Qi values that will contribute significantly to T1 → S0 relaxation. The work advances ligand design strategies for the generation of tailored T1 → S0 relaxation rates, which can be utilized to optimize the generation of electron spin polarization in radical-elaborated ligand-to-ligand charge transfer complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Electronic Spin Qubit Candidates Arrayed within Layered Two-Dimensional Polymers

Molecular electronic spin qubits are promising candidates for quantum information science applications because they can be reliably produced and engineered via chemical design. Embedding electronic spin qubits within two-dimensional polymers (2DPs) offers the possibility to systematically engineer inter-qubit interactions while maintaining long coherence times, both of which are prerequisites to their technological utility. Here, we introduce electronic spin qubits into a diamagnetic 2DP by n-doping naphthalene diimide subunits with varying amounts of CoCp 2 and analyze their spin densities by quantitative electronic paramagnetic resonance spectroscopy. Low spin densities (e.g., 6.0 × 10 12 spins mm –3 ) enable lengthy spin–lattice (T 1 ) and spin–spin relaxation (T 2 ) times across a range of temperatures, ranging from T 1 values of 164 ms at 10 K to 30.2 μs at 296 K and T 2 values of 2.36 μs at 10 K to 0.49 μs at 296 K for the lowest spin density sample examined. Higher spin densities and temperatures were both found to diminish T 1 times, which we attribute to detrimental cross-relaxation from spin–spin dipolar interactions and spin–phonon coupling, respectively. Higher spin densities decreased T 2 times and modulated the T 2 temperature dependence. Here, we attribute these differences to the competition between hyperfine and dipolar interactions for electron spin decoherence, with the dominant interaction transitioning from the former to the latter as spin density and temperature increase. Overall, this investigation demonstrates that dispersing electronic spin qubits within layered 2DPs enables chemical control of their inter-qubit interactions and spin decoherence times.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗