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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 901 records · Page 50

Coupling coarse-mesh CFD with fine-mesh CFD for modeling molten-salt reactors in the Virtual Test Bed (VTB)

The Nuclear Energy Advanced Modeling and Simulation (NEAMS) program aims at developing a simulation tool kit to accelerate the development and deployment of nuclear power technologies. NEAMS multiphysics tools have been designed to provide numerical simulation support for the design and licensing of GEN IV reactors. Pronghorn is NEAMS's coarse-mesh computational fluid dynamics (CFD) tool, which is designed to run 3D core transients in GEN IV reactors at a reduced computational cost. To increase their accuracy, coarse-mesh CFD simulations require calibrated closure coefficients. One way of computing these coefficients is via the Nek5000, NEAMS's high-fidelity CFD tool. This article discusses our current research lines in informing Pronghorn closure coefficients via Nek5000 to enable multiphysics simulations of the core cavity of the molten-salt fast reactor. We present an application in which Pronghorn mixing length turbulent viscosity has been calibrated from Nek5000 simulations. The resulting Pronghorn thermal-hydraulics model is then coupled to Griffin, the NEAMS neutron transport solver, to solve for the steady-state configuration of the molten-salt fast reactor. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Identification of Dynamic Force Coefficients for an Additively Manufactured Hermetic Squeeze Film Bearing Support Damper Utilizing a Pass-Through Channel

Abstract The following paper presents breakthrough experimental results for a new hermetic squeeze film damper (HSFD) concept that is integrally designed within an externally pressurized tilting-pad radial gas bearing support. The flexibly damped gas bearing module was designed for a 7.2″ (183 mm) diameter shaft and fabricated using direct metal laser melting (DMLM); also known as additive manufacturing. The bearing and HSFD were sized based on ongoing studies for oil-free supercritical carbon dioxide (sCO2) power turbines in the 8.5 MW–10 MW power range. The development of the new damper concept was motivated by past dynamic testing on HSFD, which generated frequency-dependent stiffness and damping force coefficients. In efforts to eliminate the frequency dependency, a new HSFD architecture was conceived that adds accumulator volumes and a pass-through channel to previously conceived HSFD flow network designs. The other motivation for the work is the need to develop a cost-effective and reliable oil-free bearing technology that is scalable to large power turbomachinery applications. There were several objectives for the following work. The first objective was to successfully design and fabricate a single piece bearing-damper using additive manufacturing, while dimensionally controlling critical design features. The paper discusses the manufacturing steps and shows cut-ups that reveal adequate clearance control capability with internal damper clearances. The second objective was to perform experimental testing with the new HSFD design in efforts to extract stiffness and damping coefficients for excitation frequencies within 20–160 Hz and peak vibration amplitudes between 0.25 mils (6.35 microns) to 1 mil (25.4 microns). The test results for a single HSFD bearing module indicated that the design modifications to the HSFD architecture were successful in eliminating nearly all the frequency dependencies for the stiffness force coefficient. The dynamic tests yielded a stiffness coefficient that varied between 112 klb/in. (19.6 MN/m) and 96 klb/in. (16.8 MN/m). The damping force coefficient however, exhibited relatively more variation with frequency with values residing between 175 lb-s/in. (31 kN-s/m) to 214 lb-s/in. (37 kN-s/m). Finally, the paper advances a three-dimensional fluid-structure interaction (FSI) model using transient finite element analysis (FEA) coupled to a computational fluid dynamics (CFD) model. The FSI analysis performed between 20 Hz and 80 Hz was used to predict the stiffness and damping of the HSFD using a quarter-section model of the damper. The FSI analysis was able to support test results by showing only a 6–7.4% change in the magnitude of force coefficients. Stiffness predictions agree reasonably well with experiments whereas damping is underpredicted.

Engineering↗

Analysis of the High-Pressure High-Temperature (HPHT) growth of single crystal diamond

A multi-scale, computational model is developed to describe the growth characteristics of single-crystal diamond in the High-Pressure, High-Temperature (HPHT) process. This model is the first to connect phase-change kinetics governing crystal growth to the continuum transport of carbon through the growth cell. Results show the importance of convective transport driven by buoyant flow in the metallic solvent, which increases the growth rate by nearly an order of magnitude over that obtained under diffusion alone. Parametric studies show how crystal growth may be kinetically-limited or transport-limited, depending on the value of the macroscopic kinetic coefficient. Estimating this kinetic coefficient from growth experiments yields a phase-change Damköhler number of unity, indicating a mixed regime where phase-change kinetics and transport are comparable and strongly coupled in this system. Mechanisms responsible for slowing growth as the crystal size increases are explained. Finally, supersaturation inhomogeneities along the facets of larger crystals are predicted, which may be relevant to solvent inclusion formation during growth.

36 MATERIALS SCIENCE↗

Geometric Energy Derivatives at the Complete Basis Set Limit: Application to the Equilibrium Structure and Molecular Force Field of Formaldehyde

Here, geometric energy derivatives which rely on core-corrected focal-point energies extrapolated to the complete basis set (CBS) limit of coupled cluster theory with iterative and noniterative quadruple excitations, CCSDTQ and CCSDT(Q), are used as elements of molecular gradients and, in the case of CCSDT(Q), expansion coefficients of an anharmonic force field. These gradients are used to determine the CCSDTQ/CBS and CCSDT(Q)/CBS equilibrium structure of the S 0 ground state of H 2 CO where excellent agreement is observed with previous work and experimentally derived results. A fourth-order expansion about this CCSDT(Q)/CBS reference geometry using the same level of theory produces an exceptional level of agreement to spectroscopically observed vibrational band origins with a MAE of 0.57 cm –1 . Second-order vibrational perturbation theory (VPT2) and variational discrete variable representation (DVR) results are contrasted and discussed. Vibration–rotation, anharmonicity, and centrifugal distortion constants from the VPT2 analysis are reported and compared to previous work. Additionally, an initial application of a sum-over-states fourth-order vibrational perturbation theory (VPT4) formalism is employed herein, utilizing quintic and sextic derivatives obtained with a recursive algorithmic approach for response theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Basement Fault Reactivation by Fluid Injection Into Sedimentary Reservoirs: Poroelastic Effects

Abstract To investigate mechanisms of seismic fault reactivation in crystalline basement in response to fluid injection in overlying sedimentary reservoirs, we conducted three‐dimensional finite element simulations to assess the effects of direct pore pressure communication and indirect poroelastic stress transfer on the change in Coulomb failure stress of favorably oriented faults of varying permeability structure in normal, strike‐slip, and reverse faulting stress regimes. We demonstrate that the direct pore pressure effect transmitted along a hydraulically conductive fault exceeds the indirect poroelastic effect, but alone is insufficient for fault reactivation in the basement. The poroelastic effect on the Coulomb failure stress results from induced normal tractions and, to a lesser extent, from induced shear tractions that relate to the flexing of the fault as the reservoir expands poroelastically with fluid injection. Assuming a higher Biot coefficient for reservoir over basement rock as previously reported, the combined direct pore pressure and indirect poroelastic effects result in reactivation of hydraulically conductive faults in the basement in normal and strike‐slip faulting stress regimes and in the reservoir in reverse faulting regimes. Sealing normal faults that are not preferentially conductive also preferentially reactivate in the reservoir. These findings apply to injection in either hanging or footwall of normal and reverse faults. Reducing the contrast in Biot coefficient between reservoir and basement favors fault reactivation in the reservoir for injection in the footwall in normal faulting stress regimes. These simulations demonstrate that geomechanical models without coupled poroelasticity underestimate the potential of fault reactivation in crystalline basement.

Fan, Zhiqiang↗

Modeling Microwave-Enhanced Chemical Vapor Infiltration Process for Preventing Premature Pore Closure

The chemical vapor infiltration (CVI) process involves infiltrating a porous preform with reacting gases that undergo chemical transformation at high temperatures to deposit the ceramic phase within the pores, ultimately leading to a dense composite. The conventional CVI process in composite manufacturing needs to follow an isothermal approach to minimize temperature differences between the external and internal surfaces of the preform, ensuring that reactive gases infiltrate internal pores before external surfaces seal. This study addresses the challenge of premature pore closure in CVI processes through microwave heating. A frequency-domain microwave solver is developed in Open-FOAM to investigate volumetric heating mechanisms within the preform. Through numerical studies, we demonstrate the capability of microwave heating of creating an inside-out temperature inversion. This inversion accelerates reactions proximal to the preform center, effectively mitigating the risk of premature external pore closure and ensuring uniform densification. The results reveal a significant enhancement in temperature inversion when high-permittivity reflectors are incorporated to generate resonant waves. This microwave heating strategy is then coupled with high-fidelity direct numerical simulation (DNS) of reacting flow, enabling the analysis of resulting densification processes. The DNS simulation includes detailed chemistry and realistic diffusion coefficients. The numerical results can be used to estimate the impact of microwave-induced temperature inversion on densification in productions.

Ge, Wenjun↗

Flap-lag-torsion aeroelastic stability of circulation-controlled rotors in hover

The results of a theoretical investigation of the flap-lag-torsion stability of circulation controlled rotors in hover are presented. Stability boundaries are presented as a function of thrust and lag frequency, at several levels of blowing coefficient, for flap frequencies of 1.1/rev and 1.8/ rev. The effects of several parameters on the blade flap-lag stability are examined, including structural damping, structural coupling, pitch-lag and pitch-flap coupling, and the blade feathering motion. The trailing edge blowing can have a major impact on the blade aeroelastic stability, which should be considered in the rotor design. The implications of these results for the current CCR and X-Wing rotorcraft designs are considered.

Chopra, I.↗

Nonlinear effects in coplanar GaAs/InGaAs strained-layer superlattice directional couplers

The performance characteristics of InGaAs/GaAs strained-layer superlattice coplanar ridge-type directional couplers realized by molecular beam epitaxy are reported. The measured power transfer characteristics with 1.15 micron incident photoexcitation demonstrate nonlinear coupling due to absorption associated with the tails of the excitonic resonances in the quantum wells. From a theoretical fit of the measured data, the nonlinear refractive index coefficient, n2, of the multiquantum well is found to be 2.25 x 10 to the -7th sq cm/W. This agrees very well with a value of n2 = 1.9 x 10 to the-7th sq cm/W obtained independently on the same material from interferometric measurents.

Das, Utpal↗

Probabilistic modeling for simulation of aerodynamic uncertainties in propulsion systems

The numerical simulation of the probabilistic aerothermodynamic response of propulsion system components to randomness in their environment was explored. The reusable rocket engine turbopumps were selected as an example because of the severe cryogenic environment in which they operate. The thermal and combustion instabilities, coupled with the engine thrust requirements from start up to shut down, lead to randomness in the flow variables and uncertainties in the aerodynamic loading. The probabilistic modeling of the turbopumps aerodynamic response was accomplished using the panel method coupled with fast probability integration methods. The aerodynamic response in the form of probabilistic rotor blades and splitter loading were predicted and the results presented for specified flow coefficient and rotor preswirl variance. Possible future applications of the aerothermodynamic probabilistic modeling in engine transient simulation, condition monitoring and engine life prediction are briefly discussed.

Hamed, Awatef↗

Probabilistic modeling for simulation of aerodynamic uncertainties in propulsion systems

The numerical simulation of the probabilistic aerothermodynamic response of propulsion system components to randomness in their environment was explored. The reusable rocket engine turbopumps were selected as an example because of the severe cryogenic environment in which they operate. The thermal and combustion instabilities, coupled with the engine thrust requirements from start up to shut down, lead to randomness in the flow variables and uncertainties in the aerosynamic loading. The probabilistic modeling of the turbopumps' aerodynamic response was accomplished using the panel method coupled with fast probability integration methods. The aerodynamic response in the form of probabilistic rotor blades and splitter loading were predicted and the results presented for specified flow coefficient and rotor preswirl variance. Possible future applications of the aerothermodynamic probabilistic modeling in engine transient simulation, condition monitoring, and engine life prediction are briefly discussed.

Hamed, A.↗

Thermal Fault Tolerance Analysis of Carbon Fiber Rope Barrier Systems for Use in the Reusable Solid Rocket Motor ( RSRM) Nozzle Joints

Carbon Fiber Rope (CFR) thermal barrier systems are being considered for use in several RSRM (Reusable Solid Rocket Motor) nozzle joints as a replacement for the current assembly gap close-out process/design. This study provides for development and test verification of analysis methods used for flow-thermal modeling of a CFR thermal barrier subject to fault conditions such as rope combustion gas blow-by and CFR splice failure. Global model development is based on a 1-D (one dimensional) transient volume filling approach where the flow conditions are calculated as a function of internal 'pipe' and porous media 'Darcy' flow correlations. Combustion gas flow rates are calculated for the CFR on a per-linear inch basis and solved simultaneously with a detailed thermal-gas dynamic model of a local region of gas blow by (or splice fault). Effects of gas compressibility, friction and heat transfer are accounted for the model. Computational Fluid Dynamic (CFD) solutions of the fault regions are used to characterize the local flow field, quantify the amount of free jet spreading and assist in the determination of impingement film coefficients on the nozzle housings. Gas to wall heat transfer is simulated by a large thermal finite element grid of the local structure. The employed numerical technique loosely couples the FE (Finite Element) solution with the gas dynamics solution of the faulted region. All free constants that appear in the governing equations are calibrated by hot fire sub-scale test. The calibrated model is used to make flight predictions using motor aft end environments and timelines. Model results indicate that CFR barrier systems provide a near 'vented joint' style of pressurization. Hypothetical fault conditions considered in this study (blow by, splice defect) are relatively benign in terms of overall heating to nozzle metal housing structures.

Clayton, J. Louie↗

Retrievals of Profiles of Fine And Coarse Aerosols Using Lidar And Radiometric Space Measurements

In couple of years we expect the launch of the CALIPSO lidar spaceborne mission designed to observe aerosols and clouds. CALIPSO will collect profiles of the lidar attenuated backscattering coefficients in two spectral wavelengths (0.53 and 1.06 microns). Observations are provided along the track of the satellite around the globe from pole to pole. The attenuated backscattering coefficients are sensitive to the vertical distribution of aerosol particles, their shape and size. However the information is insufficient to be mapped into unique aerosol physical properties and vertical distribution. Infinite number of physical solutions can reconstruct the same two wavelength backscattered profile measured from space. CALIPSO will fly in formation with the Aqua satellite and the MODIS spectro-radiometer on board. Spectral radiances measured by MODIS in six channels between 0.55 and 2.13 microns simultaneously with the CALIPSO observations can constrain the solutions and resolve this ambiguity, albeit under some assumptions. In this paper we describe the inversion method and apply it to aircraft lidar and MODIS data collected over a dust storm off the coast of West Africa during the SHADE experiment. It is shown that the product of the single scattering albedo, omega, and the phase function, P, for backscattering can be retrieved from the synergism between measurements avoiding a priori hypotheses required for inverting lidar measurements alone. The resultant value of (omega)P(180 deg.) = 0.016/sr are significantly different from what is expected using Mie theory, but are in good agreement with recent results obtained from lidar observations of dust episodes. The inversion is robust in the presence of noise of 10% and 20% in the lidar signal in the 0.53 and 1.06 pm channels respectively. Calibration errors of the lidar of 5 to 10% can cause an error in optical thickness of 20 to 40% respectively in the tested cases. The lidar calibration errors cause degradation in the ability to fit the MODIS data. Therefore the MODIS measurements can be used to identify the calibration problem and correct for it. The CALIPSO-MODIS measurements of the profiles of fine and coarse aerosols, together with CALIPSO measurements of clouds vertical distribution, is expected to be critically important in understanding aerosol transport across continents and political boundaries, and to study aerosol-cloud interaction and its effect on precipitation and global forcing of climate.

Kaufman, Yoram↗

The Effect of the Spin-Forbidden Co((sup 1) Sigma plus) plus O((sup 3) P) Yields CO2 (1 Sigma (sub G) plus) Recombination Reaction on Afterbody Heating of Mars Entry Vehicles

Vibrationally excited CO2, formed by two-body recombination from CO((sup 1) sigma plus) and O((sup 3) P) in the wake behind spacecraft entering the Martian atmosphere reaction, is potentially responsible for the higher than anticipated radiative heating of the backshell, compared to pre-flight predictions. This process involves a spin-forbidden transition of the transient triplet CO2 molecule to the longer-lived singlet. To accurately predict the singlet-triplet transition probability and estimate the thermal rate coefficient of the recombination reaction, ab initio methods were used to compute the first singlet and three lowest triplet CO2 potential energy surfaces and the spin-orbit coupling matrix elements between these states. Analytical fits to these four potential energy surfaces were generated for surface hopping trajectory calculations, using Tully's fewest switches surface hopping algorithm. Preliminary results for the trajectory calculations are presented. The calculated probability of a CO((sup 1) sigma plus) and O((sup 3) P) collision leading to singlet CO2 formation is on the order of 10 (sup -4). The predicted flowfield conditions for various Mars entry scenarios predict temperatures in the range of 1000 degrees Kelvin - 4000 degrees Kelvin and pressures in the range of 300-2500 pascals at the shoulder and in the wake, which is consistent with a heavy-particle collision frequency of 10 (sup 6) to 10 (sup 7) per second. Owing to this low collision frequency, it is likely that CO((sup 1) sigma plus) molecules formed by this mechanism will mostly be frozen in a highly nonequilibrium rovibrational energy state until they relax by photoemission.

CO2 recombination↗

Exploring the Use of Ionic Liquid Mixtures to Enhance the Performance of Dicationic Ionic Liquids

Dicationic ionic liquids (DILs) of diverse structural architectures (including symmetrical and asymmetrical ammonium, phosphonium and heterodications and the bis(trifluoromethylsulfonyl)amide (NTf 2 - ) anion) have been prepared and used as additives to N-methyl-N-ethoxyethylpyrrolidinium (P 1 EOE) NTf 2 , a relatively high-performing IL in terms of its transport properties (viscosity 53 mPa s). The three-ion, binary IL mixtures were characterized for their thermal and transport properties using differential scanning calorimetry, temperature dependent viscosity, conductivity and Pulsed Gradient Spin Echo (PGSE) NMR. Variable temperature 1 H, 19 F and 31 P self-diffusion coefficients were determined at 25, 60 and 75°C. The order of the diffusion coefficients was D(P 1 EOE + ) > D(anion) > D(dication), and the composition of the dication had a strong effect on the degree to which diffusion of all three species is more or less coupled. IL mixtures containing about 30 mol % of the dicationic NTf 2 and 70 mol % of P 1 EOE NTf 2 resulted in a significant decrease in glass transition temperatures and viscosities compared to the pure DIL. The mixtures extended the liquid range and potential for practical applications significantly. Finally, the data obtained here provides insight into the future design of dicationic salts tailored to exhibit lower viscosity and higher conductivities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Radiative Association of Atomic and Ionic Carbon

We present calculated cross sections and rate coefficients for the formation of the dicarbon cation (C$^+_2$) by the radiative association process in collisions of a C( 3 $P$) atom and a C + ( 2 $P$ o ) ion. Molecular structure calculations for a number of low-lying doublet and quartet states of C$^+_2$ are used to obtain the potential energy surfaces and transition dipole moments coupling the states of interest, substantially increasing the available molecular data for C$^+_2$ . Using a quantum-mechanical method, we explore a number of allowed transitions and determine those contributing to the radiative association process. The calculations extend the available data for this process down to the temperature of 100 K, where the rate coefficient is found to be about 2 Χ 10 -18 cm 3 s -1 . We provide analytical fits suitable for incorporation into astrochemical reaction databases.

79 ASTRONOMY AND ASTROPHYSICS↗

Conceptual Design Optimization of an Augmented Stability Aircraft Incorporating Dynamic Response and Actuator Constraints

Empirical sizing guidelines such as tail volume coefficients have long been used in the early aircraft design phases for sizing stabilizers, resulting in conservatively stable aircraft. While successful, this results in increased empty weight, reduced performance, and greater procurement and operational cost relative to an aircraft with optimally sized surfaces. Including flight dynamics in the conceptual design process allows the design to move away from empirical methods while implementing modern control techniques. A challenge of flight dynamics and control is the numerous design variables, which are changing fluidly throughout the conceptual design process, required to evaluate the system response to some disturbance. This research focuses on addressing that challenge not by implementing higher order tools, such as computational fluid dynamics, but instead by linking the lower order tools typically used within the conceptual design process so each discipline feeds into the other. In thisresearch, flight dynamics and control was incorporated into the conceptual design process along with the traditional disciplines of vehicle sizing, weight estimation, aerodynamics, and performance. For the controller, a linear quadratic regulator structure with constant gains has been specified to reduce the user input. Coupling all the disciplines in the conceptual design phase allows the aircraft designer to explore larger design spaces where stabilizers are sized according to dynamic response constraints rather than historical static margin and volume coefficient guidelines.

Welstead, Jason↗

Charge redistribution from novel magneto-vorticity coupling in anomalous hydrodynamics

We discuss new transport phenomena in the presence of both a strong magnetic field and a vortex field. Their interplay induces a charge distribution and a current along the magnetic field. We show that the associated transport coefficients can be obtained from a simple analysis of the single-particle distribution functions and also from the Kubo formula calculation. With this being said, the consistent results from these analyses suggest that the transport coefficients are tied to the chiral anomaly in the (1+1) dimension because of the dimensional reduction in the lowest Landau levels.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗