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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
All sourcesNASA NTRSDOE OSTI
NASA NTRS1983

Asymptotic analysis of numerical wave propagation in finite difference equations

An asymptotic technique is developed for analyzing the propagation and dissipation of wave-like solutions to finite difference equations. It is shown that for each fixed complex frequency there are usually several wave solutions with different wavenumbers and the slowly varying amplitude of each satisfies an asymptotic amplitude equation which includes the effects of smoothly varying coefficients in the finite difference equations. The local group velocity appears in this equation as the velocity of convection of the amplitude. Asymptotic boundary conditions coupling the amplitudes of the different wave solutions are also derived. A wavepacket theory is developed which predicts the motion, and interaction at boundaries, of wavepackets, wave-like disturbances of finite length. Comparison with numerical experiments demonstrates the success and limitations of the theory. Finally an asymptotic global stability analysis is developed.

Giles, M.↗
NASA NTRS1991

Aerodynamic calculations related to tethered sub-satellite experiments

The results are presented of four aerodynamic studies that were in support of a broader, preliminary inquiry concerning the potential use of downward-deployed tethered sub-satellites for in-flight aerothermodynamic research. There are a multitude of questions regarding the general tethered satellite concept and the present report addresses only a few of these. A method for estimating drag and local surface pressure and shear on orbiting or re-entereing bodies is described, and examples based on the planned TSS-2 (Tethered Satellite System) are given. The problem of pressure measurement are explored, taking into account thermal transpiration, lag time, and the disturbed flow field created by the satellite body. The performance of an aerodynamic stabilizer, a ring-tail design, is calculated and its influence on satellite motion is illustrated. A method for optimizing future satellite shapes for desired aerodynamic properties is transitional rarefied flow with given geometric constraints is proposed and examples are shown.

Potter, J. Leith↗
NASA NTRS1995

Coronal loop formation resulting from photospheric convection

We have demonstrated the dynamic formation of coronal magnetic loops in three dimensions as a result of horizontal vortex-like convection on the photosphere. Localized plasma motions twist bipolar magnetic field lines which are tied to the dense photosphere by high electrical conductivity. The twists propagate into the corona along the field and create a narrow quasi-toroidal region where the field lines interwind. At the same time, this tubeline region rises in altitude, expands in cross section, and distorts into a slight S shape before settling into an equilibrium state. The MHD stability of such line-tied magnetic loop structures is directly exhibited by this dynamic simulation.

Hoven, G. Van↗
DOE OSTI2018

A neoclassical drift-magnetohydrodynamical fluid model of the interaction of a magnetic island chain with a resonant error-field in a high temperature tokamak plasma

A two-fluid, neoclassical theory of the interaction of a single magnetic island chain with a resonant error-field in a quasi-cylindrical, low-β, tokamak plasma is presented. The plasmas typically found in large hot tokamaks lie in the so-called weak neoclassical flow-damping regime in which the neoclassical ion stress tensor is not the dominant term in the ion parallel equation of motion. Nevertheless, flow-damping in such plasmas dominates ion perpendicular viscosity, and is largely responsible for determining the phase velocity of a freely rotating island chain (which is in the ion diamagnetic direction relative to the local E × B frame at the rational surface). The critical vacuum island width required to lock the island chain is mostly determined by the ion neoclassical poloidal flow damping rate at the rational surface. The stabilizing effect of the average field-line curvature, as well as the destabilizing effect of the perturbed bootstrap current, is the same for a freely rotating, a non-uniformly rotating, and a locked island chain. The destabilizing effect of the error-field averages to zero when the chain is rotating and only manifests itself when the chain locks. The perturbed ion polarization current has a small destabilizing effect on a freely rotating island chain, but a large destabilizing effect on both a non-uniformly rotating and a locked island chain. Finally, this behavior may account for the experimentally observed fact that locked island chains are much more unstable than corresponding freely rotating chains.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Helium trapping at erbium oxide precipitates in erbium hydride

The formation of He bubbles in erbium tritides is a significant process in the aging of these materials. Due to the long-standing uncertainty about the initial nucleation process of these bubbles, there is interest in mechanisms that can lead to the localization of He in erbium hydrides. Previous work has been unable to identify nucleation sites in homogeneous erbium hydride. This work builds on the experimental observation that erbium hydrides have nano- scale erbium oxide precipitates due to the high thermodynamic stability of erbium oxide and the ubiquitous presence of oxygen during materials processing. Fundamental DFT calculations indicate that the He is energetically favored in the oxide relative to the bulk hydride. Activation energies for the motion of He in the oxide and at the oxide-hydride interface indicate that trapping is kinetically feasible. A simple kinetic Monte Carlo model is developed that demonstrates the degree of trapping of He as a function of temperature and oxide fraction.

36 MATERIALS SCIENCE↗
NASA NTRS2016

An Immersed Boundary Method for Solving the Compressible Navier-Stokes Equations with Fluid Structure Interaction

An immersed boundary method for the compressible Navier-Stokes equation and the additional infrastructure that is needed to solve moving boundary problems and fully coupled fluid-structure interaction is described. All the methods described in this paper were implemented in NASA's LAVA solver framework. The underlying immersed boundary method is based on the locally stabilized immersed boundary method that was previously introduced by the authors. In the present paper this method is extended to account for all aspects that are involved for fluid structure interaction simulations, such as fast geometry queries and stencil computations, the treatment of freshly cleared cells, and the coupling of the computational fluid dynamics solver with a linear structural finite element method. The current approach is validated for moving boundary problems with prescribed body motion and fully coupled fluid structure interaction problems in 2D and 3D. As part of the validation procedure, results from the second AIAA aeroelastic prediction workshop are also presented. The current paper is regarded as a proof of concept study, while more advanced methods for fluid structure interaction are currently being investigated, such as geometric and material nonlinearities, and advanced coupling approaches.

Equations↗
NASA NTRS1996

Excitation and Evolution of Structure in Galaxies

Even casual examination shows that most disk galaxies are not truly symmetric but exhibit a variety of morphological peculiarities of which spiral arms and bars are the most pronounced. After decades of effort, we now know that these features may be driven by environmental disturbance acting directly on the disk, in addition to self-excitation of a local disturbance (e.g. by swing amplification). However, all disks are embedded within halos and therefore are not dynamically independent. Are halos susceptible to such disturbances as well? If so, can the affect disks and on what time scales? y Until recently, conventional wisdom was that halos acted to stabilize disks but otherwise remained relatively inert. The argument behind this assumption is as follows. Halos, spheroids and bulges are supported against their own gravity by the random motion of their stars, a so-called "hot" distribution. On all but the largest scales, they look like a nearly homogeneous thermal bath of stars. Because all self-sustaining patterns or waves in a homogeneous universe of stars with a Maxwellian velocity distribution are predicted to damp quickly (e.g. Ikeuchi et al. 1974), one expects that any pattern will be strongly damped in halos and spheroids as well. However, recent work suggests that halos do respond to tidal encounters by companions or cluster members and are susceptible to induction of long-lived modes.

Weinberg, Martin D.↗
DOE OSTI2018

Theoretical Prediction and Analysis of the UV/Visible Absorption and Emission Spectra of Chiral Carbon Nanorings

In this study, UV/vis absorption and emission spectra of recently synthesized chiral carbon nanorings were simulated using first-principles-based molecular dynamics and time-dependent density functional theory (TD-DFT). The chiral carbon nanorings are derivatives of the [n]cycloparaphenylene ([n]CPP) macrocycles, containing an acene unit such as naphthalene, ([n]CPPN), anthracene ([n]CPPA), and tetracene ([n]CPPT), in addition to n paraphenylene units. In order to study the effect of increasing molecular size on absorption and emission spectra, we investigated the cases where n = 6 and 8. Frontier molecular orbital analysis was carried out to give insight into the degree of excitation delocalization and its relationship to the predicted absorption spectra. The lowest excited singlet state S 1 corresponds to a HOMO–LUMO π–π* transition, which is allowed in all chiral carbon nanorings due to lack of molecular symmetry, in contrast to the forbidden HOMO–LUMO transition in the symmetric [n]CPP molecules. The S 1 absorption peak exhibits a blue-shift with increasing number of paraphenylene units in particular for [n]CPPN and [n]CPPA and less so in the case of [n]CPPT. In the case of CPPN and CPPA, the transition density is mainly localized over a semicircle of the macrocycle with the acene unit in its center but is strongly localized on the tetracene unit in the case of CPPT. Molecular dynamics simulations performed on the excited state potential energy surfaces reveal red-shifted emission of these chiral carbon nanorings when the size of the π-conjugated acene units is increased, although the characteristic [n]CPP blue-shift with increasing paraphenylene unit number n remains apparent. Finally, the anomalous emission blue-shift is caused by the excited state bending and torsional motions that stabilize the π HOMO and destabilize the π* LUMO, resulting in an increasing HOMO–LUMO gap.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Elucidating the mechanical and thermal response of nanotwinned Ni alloys

Transformative advances in nanoscale materials synthesis, characterization and modeling are enabling the synthesis of materials with unprecedent properties and greater understanding of the nanoscale mechanisms that underpin these properties. Nanotwinned Cu alloys have received considerable attention due to their impressive balance of strength and ductility, but they have limited microstructural stability. Recent instantiation of nanotwins in sputter deposited Ni-Mo-W, and several commercial Ni-based superalloys, point to the potential development of a new class of high temperature materials with a very beneficial suite of mechanical and physical properties. The experimental study described in this report was undertaken to elucidate the nanoscale origins of the thermal and mechanical behavior of nanotwinned Ni alloys. Micropillar compression experiments have shown nanotwinned Ni 85 Mo 15-x W x alloys to possess unusually high strengths above 3.5GPa and enhanced microstructural stability. The strength of these nanotwinned alloys is determined by the abrupt formation of shear bands. This study focused on identifying the nanoscale trigger, or triggers, for shear banding in nanotwinned materials using in situ experiments and atomic-scale postmortem analysis. Contrasting and comparing the mechanical response and postmortem nanostructures of “Mo-rich” and “W-rich” nanotwinned specimens elucidated the importance of the lateral motion of easy glide defects that results in erasure of twins and local coarsening of the nanotwinned microstructure. This twin coarsening was then associated with very localized plasticity, strain softening, and shear band formation. The difference between alloys was further studied by considering the role of various material factors: stacking fault energy, coherent twin boundary spacing and flatness, grain size, and the interactions of solute atoms with twin and grain boundaries. The effect of alloy composition and sputtering power and temperature were also investigated and used to control twin spacing and geometry. Combined with atomic-scale simulations, these experiments insights should allow us to identify strategies for achieving concomitant ultrahigh strength and ductility in nanotwinned Ni alloys. In parallel but synergistic studies, our work was buoyed by collaborative state-of-the-art nanoscale orientation and strain mapping at the DOE National Center for Electron Microscopy (NCEM). For example, novel 4D-STEM techniques were used to acquire nanoscale strain maps. The extremely fine twin spacing limited our measurements of atomic-scale thermal expansion within twins, but recent results from NCEM suggest that it will soon be possible to conduct such measurements and to unravel the origins of the novel thermal expansion characteristics of nanotwinned Ni alloys.

36 MATERIALS SCIENCE↗
NASA NTRS1979

Stability of sequences generated by nonlinear differential systems

A local stability analysis is presented for both the analytic and numerical solutions of the initial value problem for a system of ordinary differential equations. It is shown that, using a proper choice of Liapunov function, a connected region of stable initial values of both the analytic solution and the one-leg k-step numerical solution can be approximated. Attention is given to the example of the two-dimensional problem involving the stability of the longitudinal equations of motion of a gliding jet aircraft.

Brown, R. L.↗
NASA NTRS1961

Experimental Study of Combined Forced and Free Laminar Convection in a Vertical Tube

An apparatus was built to verify an analysis of combined forced and free convection in a vertical tube with uniform wall heat flux and to determine the limits of the analysis. The test section was electrically heated by resistance heating of the tube wall and was instrumented with thermocouples in such a way that detailed thermal entrance heat-transfer coefficients could be obtained for both upflow and downflow and any asymmetry in wall temperature could be detected. The experiments showed that fully developed heat-transfer results, predicted by a previous analysis, were confirmed over the range of Rayleigh numbers investigated. The concept of "locally fully developed" heat transfer was established. This concept involves the assumption that the fully developed heat-transfer analysis can be applied locally even though the Rayleigh number is varying along the tube because of physical-property variations with temperature. Thermal entrance region data were obtained for pure forced convection and for combined forced and free convection. The analysis of laminar pure forced convection in the thermal entrance region conducted by Siegel, Sparrow, and Hallman was experimentally confirmed. A transition to an eddy motion, indicated by a fluctuation in wall temperature was found in many of the upflow runs. A stability correlation was found. The fully developed Nusselt numbers in downflow were below those for pure forced convection but fell about 10 percent above the analytical curve. Quite large circumferential variations in wall temperature were observed in downflow as compaired with those encountered in upflow, and the fully developed Nussalt numbers reported are based on average wall temperatures determined by averaging the readings of two diametrically opposite wall thermocouples at each axial position. With larger heating rates in downflow the wall temperature distributions strongly suggested a cell flow near the bottom. At still larger heating rates the wall temperatures varied in a periodic way.

Hallman, Theodore M.↗
DOE OSTI2015

Phase stability and dynamics of entangled polymer-nanoparticle composites

Nanoparticle–polymer composites, or polymer–nanoparticle composites (PNCs), exhibit unusual mechanical and dynamical features when the particle size approaches the random coil dimensions of the host polymer. Here, we harness favourable enthalpic interactions between particle-tethered and free, host polymer chains to create model PNCs, in which spherical nanoparticles are uniformly dispersed in high molecular weight entangled polymers. Investigation of the mechanical properties of these model PNCs reveals that the nanoparticles have profound effects on the host polymer motions on all timescales. On short timescales, nanoparticles slow-down local dynamics of the host polymer segments and lower the glass transition temperature. On intermediate timescales, where polymer chain motion is typically constrained by entanglements with surrounding molecules, nanoparticles provide additional constraints, which lead to an early onset of entangled polymer dynamics. Finally, on long timescales, nanoparticles produce an apparent speeding up of relaxation of their polymer host.

Mangal, Rahul↗
DOE OSTI2019

Solvent–Adsorbate Interactions and Adsorbate-Specific Solvent Structure in Carbon Dioxide Reduction on a Stepped Cu Surface

In this work, the structure of water and its interactions with various carbon dioxide reduction intermediates adsorbed on a Cu(211) surface is investigated using density functional theory. We find that the presence of adsorbates has a significant and adsorbate-specific effect on the local water structure and that solvation can stabilize adsorbate conformations different from those found in vacuum. We describe relationships between the hydrogen bonding capability of an adsorbate, the dipole moment of the adsorbate, the energetic strength of water–adsorbate interactions, and the change induced in the local water orientation by the adsorbate. Mechanistic implications are discussed. Here, we investigate and quantify the error associated with using arbitrary locally optimized solvent structures in calculations of relevant physical quantities, such as solvated binding energies and work functions. Possible effects of thermal motion on calculations of the work function are investigated using ab initio molecular dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Imaginary phonon modes and phonon-mediated superconductivity in Y 2 C 3

For Y 2 C 3 with a superconducting critical temperature ($T_c$) ~18 K, zone-center imaginary optical phonon modes have been found for the high-symmetry I-43d structure due to C dimer wobbling motion and electronic instability from a flat band near Fermi energy. After lattice distortion to the more stable lowest-symmetry P1 structure, these stabilized low-energy phonon modes with a mixed C and Y character carry a strong electronphonon coupling to give rise to the observed sizable $T_c$. Our work shows that compounds with the calculated dynamical instability should not be simply excluded in the high-throughput search for new phonon-mediated superconductors. Moreover, we have studied the phase stability of the I-43d structure by calculating the enthalpy of different structural motifs of binary compounds containing group-IV elements at the 2:3 composition and also exploring the energy landscapes via ab initio molecular dynamics near and out of the I-43d structure. Here, our results show that the I-43d-type structures with C dimers are preferred in the low to medium pressure range. Because of the wobbling motion of the C dimers, there are many local energy minimums with degenerated energies. Thus, the ensemble average of many I-43d-distorted structures with C dimer wobbling motion at finite temperature still gives an overall I-43d structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1994

The vertical structure and stability of accretion disks surrounding black holes and neutron stars

The structure and stability of the inner regions of accretion disks surrounding neutron stars and black holes have been investigated. Within the framework of the alpha viscosity prescription for optically thick disks, we assume the viscous stress scales with gas pressure only, and the alpha parameter, which is less than or equal to unity, is formulated as alpha(sub 0)(h/r)(exp n), where h is the local scale height and n and alpha(sub 0) are constants. We neglect advective energy transport associated with radial motions and construct the vertical structure of the disks by assuming a Keplerian rotation law and local hydrostatic and thermal equilibrium. The vertical structures have been calculated with and without convective energy transport, and it has been demonstrated that convection is important especially for mass accretion rates, M-dot, greater than about 0.1 times the Eddington value, M-dot(sub Edd). Although the efficiency of convection is not high, convection significantly modifies the vertical structure of the disk (as compared with a purely radiative model) and leads to lower temperatures at a given M-dot. The results show that the disk can be locally unstable and that for n greater than or = 0.75, an S-shaped relation can exist between M-dot and the column density, sigma, at a given radius. While the lower stable branch (derivative of M-dot/derivative of sigma greater than 0) and middle unstable branch (derivative of M-dot/derivative of sigma less than 0) represent structures for which the gas and radiation pressure dominate respectively, the stable upper branch (derivative of M-dot/derivative of sigma greater than 0) is a consequence of the saturation of alpha. This saturation of alpha can occur for large alpha(sub 0) and at M-dot less than or = M-dot(sub Edd). The instability is found to occur at higher mass accretion rates for neutron stars than for black holes. In particular, the disk is locally unstable for M-dot greater than or = 0.5 M-dot(sub Edd) for neutron stars and for M-dot greater than or = M-dot(sub Edd) for black holes for a viscosity prescription characterized by n = 1 and alpha(sub 0) = 10.

Milsom, J. A.↗
NASA NTRS2014

Future Antarctic Bed Topography and Its Implications for Ice Sheet Dynamics

The Antarctic bedrock is evolving as the solid Earth responds to the past and ongoing evolution of the ice sheet. A recently improved ice loading history suggests that the Antarctic Ice Sheet (AIS) has generally been losing its mass since the Last Glacial Maximum. In a sustained warming climate, the AIS is predicted to retreat at a greater pace, primarily via melting beneath the ice shelves.We employ the glacial isostatic adjustment (GIA) capability of the Ice Sheet System Model (ISSM) to combine these past and future ice loadings and provide the new solid Earth computations for the AIS.We find that past loading is relatively less important than future loading for the evolution of the future bed topography. Our computations predict that the West Antarctic Ice Sheet (WAIS) may uplift by a few meters and a few tens of meters at years AD 2100 and 2500, respectively, and that the East Antarctic Ice Sheet is likely to remain unchanged or subside minimally except around the Amery Ice Shelf. The Amundsen Sea Sector in particular is predicted to rise at the greatest rate; one hundred years of ice evolution in this region, for example, predicts that the coastline of Pine Island Bay will approach roughly 45mmyr−1 in viscoelastic vertical motion. Of particular importance, we systematically demonstrate that the effect of a pervasive and large GIA uplift in the WAIS is generally associated with the flattening of reverse bed slope, reduction of local sea depth, and thus the extension of grounding line (GL) towards the continental shelf. Using the 3-D higher-order ice flow capability of ISSM, such a migration of GL is shown to inhibit the ice flow. This negative feedback between the ice sheet and the solid Earth may promote stability in marine portions of the ice sheet in the future.

ice dynamics↗
DOE OSTI2018

Excited-state vibrational dynamics toward the polaron in methylammonium lead iodide perovskite

Hybrid organic–inorganic perovskites have attractive optoelectronic properties including exceptional solar cell performance. The improved properties of perovskites have been attributed to polaronic effects involving stabilization of localized charge character by structural deformations and polarizations. Here we examine the Pb–I structural dynamics leading to polaron formation in methylammonium lead iodide perovskite by transient absorption, time-domain Raman spectroscopy, and density functional theory. Methylammonium lead iodide perovskite exhibits excited-state coherent nuclear wave packets oscillating at ~20, ~43, and ~75 cm -1 which involve skeletal bending, in-plane bending, and c-axis stretching of the I–Pb–I bonds, respectively. The amplitudes of these wave packet motions report on the magnitude of the excited-state structural changes, in particular, the formation of a bent and elongated octahedral PbI 6 4- geometry. We have predicted the excited-state geometry and structural changes between the neutral and polaron states using a normal-mode projection method, which supports and rationalizes the experimental results. This study reveals the polaron formation via nuclear dynamics that may be important for efficient charge separation.

36 MATERIALS SCIENCE↗
NASA NTRS1996

Convergence Acceleration of the Navier-Stokes Equations Through Time-Derivative Preconditioning

Chorin's method of artificial compressibility is extended to both compressible and incompressible fluids by using physical arguments to define artificial fluid properties that make up a local preconditioning matrix. In particular, perturbation expansions are used to provide appropriate temporal derivatives for the equations of motion at both low speeds and low Reynolds numbers. These limiting forms are then combined into a single function that smoothly merges into the physical time derivatives at high speeds so that the equations are left unchanged at transonic, high Reynolds number conditions. The effectiveness of the resulting preconditioning procedures for the Navier-Stokes equations is demonstrated for a wide speed and Reynolds number ranges by means of stability results and computational solutions. Nevertheless, the preconditioned equations sometimes fail to provide a solution for applications for which the non-preconditioned equations converge. Often this is because the reduced dissipation in the preconditioned equations results in an unsteady solution while the more dissipative non-preconditioned equations result in a steady state. Problems of this type represent a computational challenge; it is important to distinguish between non-convergence of algorithms, and the non-existence of steady state solutions.

Merkle, Charles L.↗