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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 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

Rate Constant and RRKM Product Study for the Reaction Between CH3 and C2H3 at T = 298K

The total rate constant k1 has been determined at P = 1 Torr nominal pressure (He) and at T = 298 K for the vinyl-methyl cross-radical reaction CH3 + C2H3 yields products. The measurements were performed in a discharge flow system coupled with collision-free sampling to a mass spectrometer operated at low electron energies. Vinyl and methyl radicals were generated by the reactions of F with C2H4 and CH4, respectively. The kinetic studies were performed by monitoring the decay of C2H3 with methyl in excess, 6 < |CH3|(sub 0)/|C2H3|(sub 0) < 21. The overall rate coefficient was determined to be k1(298 K) = (1.02 +/- 0.53)x10(exp -10) cubic cm/molecule/s with the quoted uncertainty representing total errors. Numerical modeling was required to correct for secondary vinyl consumption by reactions such as C2H3 + H and C2H3 + C2H3. The present result for k1 at T = 298 K is compared to two previous studies at high pressure (100-300 Torr He) and to a very recent study at low pressure (0.9-3.7 Torr He). Comparison is also made with the rate constant for the similar reaction CH3 + C2H5 and with a value for k1 estimated by the geometric mean rule employing values for k(CH3 + CH3) and k(C2H3 + C2H3). Qualitative product studies at T = 298 K and 200 K indicated formation of C3H6, C2H2, and C2H5 as products of the combination-stabilization, disproportionation, and combination-decomposition channels, respectively, of the CH3 + C2H3 reaction. We also observed the secondary C4H8 product of the subsequent reaction of C3H5 with excess CH3; this observation provides convincing evidence for the combination-decomposition channel yielding C3H5 + H. RRKM calculations with helium as the deactivator support the present and very recent experimental observations that allylic C-H bond rupture is an important path in the combination reaction. The pressure and temperature dependencies of the branching fractions are also predicted.

Thorn, R. Peyton, Jr.↗
NASA NTRSDate not supplied

Multi-point Jig Twist Optimization of Mach 0.745 Transonic Truss-Braced Wing Aircraft and High-Fidelity CFD Validation

This paper presents a multi-point jig twist optimization study of the Mach 0.745 Transonic Truss-Braced Wing (TTBW) aircraft using an in-house developed aero-structural analysis solver VSPAERO coupled to BEAM3D. A vortex-lattice model of the TTBW model is developed, and a transonic small disturbance /integral boundary layer correction method is implemented in the VSPAERO model to account for transonic and viscous flow effects. A correction method for the wing-strut interference aerodynamics is developed and applied to the VSPAERO solver. Also, a structural dynamic finite-element model of the TTBW aircraft is developed. This finite-element model includes the geometric nonlinear effect due to the tension in the struts which causes a deflection-dependent nonlinear stiffness. The VSPAERO model is coupled to the corresponding finite-element model to provide a rapid aero-structural analysis. The VSPAERO model has been validated against wind tunnel test data and FUN3D CFD simulation data. Three different flight conditions corresponding to Mach 0.745 at 40,000 ft are selected for the TTBW aircraft jig twist optimization to reduce the drag coefficients at the design and off-design cruise lift coefficients. The preliminary optimization results show that the TTBW aircraft with the optimized jig twist achieves a drag reduction of about 9 counts, 7 counts, and8 counts corresponding to the lift coefficients 0.68, 0.73, and 0.78, respectively. A high-fidelity CFD solver FUN3D is used to validate the jig twist optimization.

Multi-point↗
DOE OSTI2018

Water Infiltration and Solute Transport in An Unsaturated Underground Porous Environment - 18442

Water flow and contaminant transport in an unsaturated porous medium are studied by solving the Richards equation for the moisture movement and the convective-dispersive transport of contaminant by using the software HYDRUS 1D for prescribed head condition at the top boundary of a soil layer: a single peak and two peaks of finite duration. While the moisture migration is solved separately, the contaminant transport is coupled to moisture movement. Due to unsaturated nature of the medium the downward water flux in the soil shows vertical variation. The movement of contaminant concentration disturbance is slowed down as it moves downwards. For two separated head peaks in time, the two concentration peaks merge into one and this tendency takes place faster for larger sorption coefficient. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

Ionic Liquid Gating Control of Spin Reorientation Transition and Switching of Perpendicular Magnetic Anisotropy

Electric field (E–field) modulation of perpendicular magnetic anisotropy (PMA) switching, in an energy–efficient manner, is of great potential to realize magnetoelectric (ME) memories and other ME devices. Voltage control of the spin–reorientation transition (SRT) that allows the magnetic moment rotating between the out–of–plane and the in–plane direction is thereby crucial. In this work, a remarkable magnetic anisotropy field change up to 1572 Oe is achieved under a small operation voltage of 4 V through ionic liquid (IL) gating control of SRT in Au/[DEME]+[TFSI] – /Pt/(Co/Pt) 2 /Ta capacitor heterostructures at room temperature, corresponding to a large ME coefficient of 378 Oe V –1 . As revealed by both ferromagnetic resonance measurements and magnetic domain evolution observation, the magnetization can be switched stably and reversibly between the out–of–plane and in–plane directions via IL gating. The key mechanism, revealed by the first–principles calculation, is that the IL gating process influences the interfacial spin–orbital coupling as well as net Rashba magnetic field between the Co and Pt layers, resulting in the modulation of the SRT and in–plane/out–of–plane magnetization switching. In conclusion, this work demonstrates a unique IL–gated PMA with large ME tunability and paves a way toward IL gating spintronic/electronic devices such as voltage tunable PMA memories.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Temperature dependence of heavy quark diffusion from (2+1)-flavor lattice QCD

We present a lattice determination of the heavy-quark diffusion coefficient in (2+1)-flavor QCD with almost physical quark masses. The momentum and spatial diffusion coefficients are extracted for a wide temperature range, from T = 163 MeV to 10 GeV. The results are in agreement with previous works from the HotQCD collaboration, and show fast thermalization of the heavy quark inside the QGP. Near the chiral crossover temperature T c ≃ 150 MeV, our results are close to the AdS/CFT estimation computed at strong coupling.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

A model for discrete fracture-clay rock interaction incorporating electrostatic effects on transport

Abstract A model based on the code CrunchClay is presented for a fracture-clay matrix system that takes electrostatic effects on transport into account. The electrostatic effects on transport include those associated with the development of a diffusion potential as captured by the Nernst-Planck equation, and the formation of a diffuse layer bordering negatively charged clay particles within which partial anion exclusion occurs. The model is based on a dual continuum formulation that accounts for diffuse layer and bulk water pore space, providing a more flexible framework than is found in the classical mean electrostatic potential models. The diffuse layer model is obtained by volume averaging ion concentrations in the Poisson-Boltzmann equation, but also includes the treatment of longitudinal transport within this continuum. The calculation of transport within the bulk and diffuse layer porosity is based on a new formulation for the Nernst-Planck equation that considers averaging of diffusion coefficients and accumulation factors at grid cell interfaces. Equations for function residuals and the associated Jacobian matrix are presented such that the system of nonlinear differential-algebraic equations can be solved with Newton’s method. As an example, we consider a 2D system with a single discrete fracture within which flow and advective transport occurs that is coupled to diffusion in the clay-rich matrix. The simulation results demonstrate the lack of retardation for anions (e.g., 36 Cl − ) of the contaminant plume within the fracture flow system because they are largely excluded from the charged clay rock, while the migration of cations (e.g., 90 Sr ++ ) is more strongly attenuated. The diffusive loss of divalent cations in particular from the fracture is accentuated by their accumulation in the diffuse layer within the clay-rich matrix.

58 GEOSCIENCES↗
DOE OSTI2020

Early-Stage Shear Viscosity far from Equilibrium via Holography

We report shear viscosity is a crucial property of QCD matter which determines the collective behavior of the the quark-gluon plasma (QGP) in ultrarelativistic heavy-ion collisions. Extending the near-equilibrium, high-precision investigations in theory and experiment, we take into account the fact that, in a collision, the QGP is generated far from equilibrium. We use the AdS/CFT correspondence to study a strongly coupled plasma and find a significant impact on the ratio of shear viscosity to entropy density, η/s. In particular, we investigate the initial heating phase and find a decrease reaching down to below 60% followed by an overshoot to 110% of the near-equilibrium value. This finding might be highly relevant for the extraction of transport coefficients from anisotropic flow measurements at RHIC and LHC.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Ion Size Effects on the Thermodynamic, Kinetic, and Mechanical Properties during Ion Exchange in Solid-State Electrolytes

Ion exchange offers a pathway to impose residual compressive stresses to mitigate the electro-chemo-mechanical cracking of solid-state electrolytes such as lithium lanthanum zirconium oxide. This study uses a coupled multiscale framework (integrating density functional theory (DFT), molecular dynamics (MD), and continuum modeling) to examine how exchange ion size influences stress, diffusion, fracture toughness, and electronic properties. Larger isovalent ions (Na + , Ag + , K + ) were exchanged with Li + , with DFT confirming their preference for octahedral 96h sites and a linear relationship between ion size and chemical free expansion coefficient. MD simulations reveal stress and concentration effects on exchange ion diffusivity at elevated temperatures, with Na + and Ag + maintaining favorable mobility while K + showing concentration-dependent clustering. Continuum modeling predicts the range of fracture strength improvements and the required ion exchange concentration profile. It was shown that a 5% surface exchange concentration can induce ∼0.6 GPa of surface compressive stress using Na + and ∼1.0 GPa of surface compressive stress using Ag + . On the other hand, larger ion exchange species may penalize Li + diffusivity by increasing the activation volume and activation energy. Interestingly, Na + has a negligible penalty on Li-ion diffusivity. The room temperature Li + ion diffusivity is reduced by ∼40% with Ag + ion exchange. Electronic band structure analysis shows no size-dependent change in the bandgap, though Ag + introduces localized defect states near the valence band maximum. This study highlights ion size as a key factor in optimizing LLZO properties, offering a framework to improve the solid-state battery performance.

Jagad, Harsh D. [Brown Univ., Providence, RI (Unit↗
DOE OSTI2021

Efficient calculation of carrier scattering rates from first principles

Abstract The electronic transport behaviour of materials determines their suitability for technological applications. We develop a computationally efficient method for calculating carrier scattering rates of solid-state semiconductors and insulators from first principles inputs. The present method extends existing polar and non-polar electron-phonon coupling, ionized impurity, and piezoelectric scattering mechanisms formulated for isotropic band structures to support highly anisotropic materials. We test the formalism by calculating the electronic transport properties of 23 semiconductors, including the large 48 atom CH 3 NH 3 PbI 3 hybrid perovskite, and comparing the results against experimental measurements and more detailed scattering simulations. The Spearman rank coefficient of mobility against experiment ( r s = 0.93) improves significantly on results obtained using a constant relaxation time approximation ( r s = 0.52). We find our approach offers similar accuracy to state-of-the art methods at approximately 1/500th the computational cost, thus enabling its use in high-throughput computational workflows for the accurate screening of carrier mobilities, lifetimes, and thermoelectric power.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Ionic Peltier effect in Li-ion electrolytes

The coupled transport of charge and heat provide fundamental insights into the microscopic thermodynamics and kinetics of materials. We describe a sensitive ac differential resistance bridge that enables measurements of the temperature difference on two sides of a coin cell with a resolution of better than 10 μK. We use this temperature difference metrology to determine the ionic Peltier coefficients of symmetric Li-ion electrochemical cells as a function of Li salt concentration, solvent composition, electrode material, and temperature. The Peltier coefficients Π are negative, i.e., heat flows in the direction opposite to the drift of Li ions in the applied electric field, large, –Π > 30 kJ mol –1 , and increase with increasing temperature at T > 300 K. The Peltier coefficient is approximately constant on time scales that span the characteristic time for mass diffusion across the thickness of the electrolyte, suggesting that heat of transport plays a minor role in comparison to the changes in partial molar entropy of Li at the interface between the electrode and electrolyte. Here, our work demonstrates a new platform for studying the non-equilibrium thermodynamics of electrochemical cells and provides a window into the transport properties of electrochemical materials through measurements of temperature differences and heat currents that complement traditional measurements of voltages and charge currents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1981

Nonparametric identification of a class of nonlinear close-coupled dynamic systems

A nonparametric identification technique for the identification of close coupled dynamic systems with arbitrary memoryless nonlinearities is presented. The method utilizes noisy recorded data (acceleration, velocity and displacement) to identify the restoring forces in the system. The masses in the system are assumed to be known (or fairly well estimated from the design drawings). The restoring forces are expanded in a series of orthogonal polnomials and the coefficients of these polynomial expansions are obtained by using least square fit method. A particularly simple and computationally efficient method is proposed for dealing with separable restoring forces. The identified results are found to be relatively insensitive to measurement noise. An analysis of the effects of measurement noise on the quality of the estimates is given. The computations are shown to be relatively quick (when compared say to the Wiener identification method) and the core storage required relatively small, making the method suitable for onboard identification of large space structures.

Udwadia, F. E.↗
NASA NTRS1985

Wind-tunnel investigation at supersonic speeds of a remote-controlled canard missile with a free-rolling-tail brake torque system

Wind tunnel tests were conducted at Mach numbers 1.70, 2.16, and 2.86 to determine the static aerodynamic characteristics of a cruciform canard-controlled missile with fixed or free rolling tailfin afterbodies. Mechanical coupling effects of the free-rolling-tail afterbody were investigated by using an electronic electromagnetic brake system providing arbitrary tail-fin brake torques with continuous measurements of tail-to-mainframe torque and tail roll rate. Remote-controlled canards were deflected to provide pitch, yaw, and roll control. Results indicate that the induced rolling moment coefficients due to canard yaw control are reduced and linearized for the free-rolling-tail (free-tail) configuration. The canards of the latter provide conventional roll control for the entire angle-of-attack test range. For the free-tail configuration, the induced rolling moment coefficient due to canard yaw control increased and the canard roll control decreased with increases in brake torque, which simulated bearing friction torque. It appears that a compromise in regard to bearing friction, for example, low-cost bearings with some friction, may allow satisfactory free-tail aerodynamic characteristics that include reductions in adverse rolling-moment coefficients and lower tail roll rates.

Blair, A. B., Jr.↗
NASA NTRS1994

Waveguide-coupled resonator filters on AlN on silicon

In the effort to continually reduce the size and cost of wireless communications products the level of integration has improved dramatically in recent years. In order to reduce future generations of wireless systems to single chip form, there is a need for on-chip filtering capabilities. In this paper, the first report of an experimental waveguide-coupled resonator filter for cellular radio applications is presented. Measured results indicate a typical insertion loss of 26 dB at a center frequency of 132 MHz using a 2 um AlN film on (001) less than 110 greater than Si. In addition, a laser probe analysis has been conducted and a theoretical analysis of the first order reflection coefficients is presented.

Liaw, H. M.↗
NASA NTRS2006

Parameter and Structure Inference for Nonlinear Dynamical Systems

A great many systems can be modeled in the non-linear dynamical systems framework, as x = f(x) + xi(t), where f() is the potential function for the system, and xi is the excitation noise. Modeling the potential using a set of basis functions, we derive the posterior for the basis coefficients. A more challenging problem is to determine the set of basis functions that are required to model a particular system. We show that using the Bayesian Information Criteria (BIC) to rank models, and the beam search technique, that we can accurately determine the structure of simple non-linear dynamical system models, and the structure of the coupling between non-linear dynamical systems where the individual systems are known. This last case has important ecological applications.

Morris, Robin D.↗
DOE OSTI2025

Virtual Critical Coupling in High-Power Resonant Systems

Power reflections are a fundamental challenge in high-power resonant systems, causing energy loss, limiting per- formance, and potentially damaging critical components. This problem is particularly acute in applications such as lower hybrid current drive (LHCD) for tokamak-based nuclear fusion, where efficient, stable power transfer to the plasma is paramount. In this work, we introduce and experimentally demonstrate the virtual critical coupling (VCC) mechanism, a nonmechanical method to achieve reflection-free excitation in high-power S-band resonators. VCC utilizes a temporally shaped excitation signal with a precise complex frequency, tailored to the resonator’s characteristics to enable complete energy absorption. Using a custom low-level RF system and a 5-MW S-band klystron, we conducted experiments from low power (32 mW) to high power (600 kW). Furthermore, the results demonstrate a greater than ninefold reduction in the reflection coefficient compared to conventional monochromatic excitation. This signal processing-based approach offers a robust path toward enhancing the efficiency and stability of high-power resonant systems, with significant implications for particle accelerators and the advancement of nuclear fusion energy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Non-Abelian electric field correlator at NLO for dark matter relic abundance and quarkonium transport

We perform a complete next-to-leading order calculation of the non-Abelian electric field correlator in a SU(N c ) plasma, which encodes properties of the plasma relevant for heavy particle bound state formation and dissociation, and is different from the correlator for the heavy quark diffusion coefficient. The calculation is carried out in the real-time formalism of thermal field theory and includes both vacuum and finite temperature contributions. By working in the R ξ gauge, we explicitly show the results are gauge independent, infrared and collinear safe. The renormalization group equation of this electric field correlator is determined by that of the strong coupling constant. Our next-to-leading order calculation can be directly applied to any dipole singlet-adjoint transition of heavy particle pairs. For example, it can be used to describe dissociation and (re)generation of heavy quarkonia inside the quark-gluon plasma well below the melting temperature, as well as heavy dark matter pairs (or charged co-annihilating partners) in the early universe.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

A kinetic regime of hydrodynamic fluctuations and long time tails for a Bjorken expansion

Here we develop a set of kinetic equations for hydrodynamic fluctuations which are equivalent to nonlinear hydrodynamics with noise. The hydro-kinetic equations can be coupled to existing second order hydrodynamic codes to incorporate the physics of these fluctuations, which become dominant near the critical point. We use the hydro-kinetic equations to calculate the modifications of energy momentum tensor by thermal fluctuations from the earliest moments and at late times in Bjorken expansion. The solution to the kinetic equations precisely determines the coefficient of the first fractional power (∝ τ -3/2 ) in the energy momentum tensor gradient expansion. Numerically, we find that the contribution to the longitudinal pressure from hydrodynamic fluctuations is comparable to the second order hydrodynamic terms for typical medium parameters used to simulate heavy ion collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Streamlined Loads Analysis of Floating Wind Turbines With Fiber Rope Mooring Lines

This paper presents an approach for more accurate yet relatively streamlined accounting for the nonlinear characteristics of synthetic fiber rope mooring lines for floating wind turbines. First, we select a minimal set of parameters that can efficiently approximate a mooring line material's quasi-static and dynamic stiffness characteristics. We also develop a set of baseline coefficients for different rope materials based on published product information and research papers. We then expand a quasi-static mooring model to include dynamic mooring line stiffness terms in a way that allows the nonlinear stiffness behavior of fiber ropes to be considered even in quasi-static analyses. For dynamic analysis, we have updated the model MoorDyn, coupled with OpenFAST, to work with the new dynamic mooring line stiffness terms. This includes the implementation of a new viscoelastic approach that allows the tension-strain relation of each mooring line segment to vary between two stiffness values, depending on the strain rate. After presenting the formulation of the approaches for modeling synthetic ropes, they are demonstrated on a floating wind turbine mooring system with taut polyester rope mooring lines. The results are compared with those of other approaches of similar fidelity, including the static-dynamic method and separate simulations with static and dynamic stiffness values. Comparing the results shows the ability of the new method to match the results of the previous methods in a more streamlined manner.

elasticity↗