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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Variational Integration for Ideal Magnetohydrodynamics and Formation of Current Singularities

Coronal heating has been a long-standing conundrum in solar physics. Parker's conjecture that spontaneous current singularities lead to nanoflares that heat the corona has been controversial. In ideal magnetohydrodynamics (MHD), can genuine current singularities emerge from a smooth 3D line-tied magnetic field? To numerically resolve this issue, the schemes employed must preserve magnetic topology exactly to avoid artificial reconnection in the presence of (nearly) singular current densities. Structure-preserving numerical methods are favorable for mitigating numerical dissipation, and variational integration is a powerful machinery for deriving them. However, successful applications of variational integration to ideal MHD have been scarce. In this thesis, we develop variational integrators for ideal MHD in Lagrangian labeling by discretizing Newcomb's Lagrangian on a moving mesh using discretized exterior calculus. With the built-in frozen-in equation, the schemes are free of artificial reconnection, hence optimal for studying current singularity formation. Using this method, we first study a fundamental prototype problem in 2D, the Hahm-Kulsrud-Taylor (HKT) problem. It considers the effect of boundary perturbations on a 2D plasma magnetized by a sheared field, and its linear solution is singular. We find that with increasing resolution, the nonlinear solution converges to one with a current singularity. The same signature of current singularity is also identified in other 2D cases with more complex magnetic topologies, such as the coalescence instability of magnetic islands. We then extend the HKT problem to 3D line-tied geometry, which models the solar corona by anchoring the field lines in the boundaries. The effect of such geometry is crucial in the controversy over Parker's conjecture. The linear solution, which is singular in 2D, is found to be smooth. However, with finite amplitude, it can become pathological above a critical system length. The nonlinear solution turns out smooth for short systems. Nonetheless, the scaling of peak current density vs. system length suggests that the nonlinear solution may become singular at a finite length. With the results in hand, we cannot confirm or rule out this possibility conclusively, since we cannot obtain solutions with system lengths near the extrapolated critical value.

solar corona↗
DOE OSTI2023

Hydro-Code Implementation and Testing of a Kinetic Phase Transition Framework

In this report we describe the Kinetic Phase Transition (KPT) framework that has been worked out over the last 10 years (from around 2014) and the implementation of it into three different codes, the one-dimensional hydro- LASLO and the three-dimensional magneto-hydro- ALEGRA, Sandia codes, via subroutines in the LAMBDA Equations of State and constitutive models package, and Flag, an arbitrary Lagrangian-Eulerian multiphysics code developed within the Lagrangian Applications project (LAP) at LANL. We discuss the introduction of phase mass (and/or volume) fractions that are needed in a code for it to be ‘phase aware’, that is, not only the thermodynamic state is known in each point but also the mixture of the materials’ phases in that point. Further we point to the need of a full Equations of State for each phase in a material to achieve phase awareness and we review the equilibrium phase model, where a phase mixture is at its lowest Gibbs free energy state, to make this point clear. Contrasting the kinetic phase transition to this equilibrium model seamlessly introduce us to the KPT framework that is subsequently thoroughly discussed. While the determination of the total state and the states and mass fractions of phases in each point is a problem that can borrow many of its numerical details from Eulerian codes and mixture of materials (not phases), the update of mass fractions with time in a KPT framework needs a new set of considerations. General for any update model is that we need to prevent mass fractions from becoming unphysical (negative or their sum to be larger than one). We have solved this problem by implementing a subdivision of the hydro time step that prevents the phase from being fully present to not present at all in one subdivided time step by limiting the size of the subdivided time step. This scheme also corrects numerical problems from abrupt changes in parameter values, the so called Gibbs phenomena, that gives rise to slushing between phases in the KPT framework. Interspersed throughout the report are discussions on different thermodynamics considerations. EOS validity windows, limitations on the EOS phase space, are needed for the KPT framework and are discussed separately and exemplified. The KPT framework described in this report has been verified by code comparison, but validation is still an active area of research. There is room for improvement in the update model, both in the model for determination of rates and in how to prevent the mass fractions from becoming unphysical. In addition, the parameters in the KPT update model and the placement of the phase boundary in the EOS phase space, and interactions with other constitutive models, are closely related and interfering with each other. One possible way forward is to simultaneously develop KPT parameters, EOS, and constitutive models for each material.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2014

Mean Flow Augmented Acoustics in Rocket Systems

Oscillatory motion in solid rocket motors and liquid engines has long been a subject of concern. Many rockets display violent fluctuations in pressure, velocity, and temperature originating from the complex interactions between the combustion process and gas dynamics. The customary approach to modeling acoustic waves inside a rocket chamber is to apply the classical inhomogeneous wave equation to the combustion gas. The assumption of a linear, non-dissipative wave in a quiescent fluid remains valid while the acoustic amplitudes are small and local gas velocities stay below Mach 0.2. The converging section of a rocket nozzle, where gradients in pressure, density, and velocity become large, is a notable region where this approach is not applicable. The expulsion of unsteady energy through the nozzle of a rocket is identified as the predominate source of acoustic damping for most rocket systems. An accurate model of the acoustic behavior within this region where acoustic modes are influenced by the presence of a steady mean flow is required for reliable stability predictions. Recently, an approach to address nozzle damping with mean flow effects was implemented by French [1]. This new approach extends the work originated by Sigman and Zinn [2] by solving the acoustic velocity potential equation (AVPE) formulated by perturbing the Euler equations [3]. The acoustic velocity potential (psi) describing the acoustic wave motion in the presence of an inhomogeneous steady high-speed flow is defined by, (del squared)(psi) − (lambda/c)(exp 2)(psi) − M(dot)[M(dot)(del)(del(psi))] − 2(lambda(M/c) + (M(dot)del(M))(dot)del(psi)−2(lambda)(psi)[M(dot)del(1/c)]=0 (1) with M as the Mach vector, c as the speed of sound, and lambda as the complex eigenvalue. French apply the finite volume method to solve the steady flow field within the combustion chamber and nozzle with inviscid walls. The complex eigenvalues and eigenvector are determined with the use of the ARPACK eigensolver. The present study employs the COMSOL Multphysics framework to solve the coupled eigenvalue problem using the finite element approach. The study requires one way coupling of the CFD High Mach Number Flow (HMNF) and mathematics module. The HMNF module evaluated the gas flow inside of a solid rocket motor using St. Robert's law modeling solid propellant burn rate, slip boundary conditions, and the supersonic outflow condition. Results from the HMNF model are used by the coefficient form of the mathematics module to determine the eigenvalues of the AVPE. The mathematics model is truncated at the nozzle sonic line, where a zero flux boundary condition is self-satisfying. The remaining boundaries are modeled with a zero flux boundary condition, assuming zero acoustic absorption on all surfaces. Pertinent results from these analyses are the complex valued eigenvalue and eigenvectors. Comparisons are made to the French results to evaluate the modeling approach. A comparison of the French results with that of the present analysis is displayed in figures 1 and 2, respectively. The graphic shows the first tangential eigenvector's real (a) and imaginary (b) values.

Fischbach, Sean R.↗
DOE OSTI2022

Physics‐Informed Machine Learning Method for Large‐Scale Data Assimilation Problems

Abstract We develop a physics‐informed machine learning approach for large‐scale data assimilation and parameter estimation and apply it for estimating transmissivity and hydraulic head in the two‐dimensional steady‐state subsurface flow model of the Hanford Site given synthetic measurements of said variables. In our approach, we extend the physics‐informed conditional Karhunen‐Loéve expansion (PICKLE) method to modeling subsurface flow with unknown flux (Neumann) and varying head (time‐dependent Dirichlet) boundary conditions. We demonstrate that the PICKLE method is comparable in accuracy with the standard maximum a posteriori (MAP) method, but is significantly faster than MAP for large‐scale problems. Both methods use a mesh to discretize the computational domain. In MAP, the parameters and states are discretized on the mesh; therefore, the size of the MAP parameter estimation problem directly depends on the mesh size. In PICKLE, the mesh is used to evaluate the residuals of the governing equation, while the parameters and states are approximated by the truncated conditional Karhunen‐Loéve expansions with the number of parameters controlled by the smoothness of the parameter and state fields, and not by the mesh size. For a considered example, we demonstrate that the computational cost of PICKLE increases near linearly (as N 1.15 ) with the number of grid nodes N , while that of MAP increases much faster (as N 3.28 ). We also show that once trained for one set of Dirichlet boundary conditions (i.e., one river stage), the PICKLE method provides accurate estimates of the hydraulic head for any value of the Dirichlet boundary conditions (i.e., for any river stage).

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1974

Relaxation of an unsteady turbulent boundary layer on a flat plate in an expansion tube

An analysis is presented for the relaxation of a turbulent boundary layer on a semi-infinite flat plate after passage of a shock wave and a trailing driver gas-driven gas interface. The problem has special application to expansion-tube flows. The flow-governing equations have been transformed into the Crocco variables, and a time-similar solution is presented in terms of the dimensionless distance-time variable alpha and the dimensionless velocity variable beta. An eddy-viscosity model, similar to that of time-steady boundary layers, is applied to the inner and outer regions of the boundary layer. A turbulent Prandtl number equal to the molecular Prandtl number is used to relate the turbulent heat flux to the eddy viscosity. The numerical results, obtained by using the Gauss-Seidel line-relaxation method, indicate that a fully turbulent boundary layer relaxes faster to the final steady-state values of heat transfer and skin friction than a laminar boundary layer. The results also give a fairly good estimate of the local skin friction and heat transfer for near steady-flow conditions.

Gurta, R. N.↗
NASA NTRS1985

Vibration and buckling of rotating, pretwisted, preconed beams including Cooriolis effects

The effects of pretwist, precone, setting angle and Coriolis forces on the vibration and buckling behavior of rotating, torsionally rigid, cantilevered beams were studied. The beam is considered to be clamped on the axis of rotation in one case, and off the axis of rotation in the other. Two methods are employed for the solution of the vibration problem: (1) one based upon a finite-difference approach using second order central differences for solution of the equations of motion, and (2) based upon the minimum of the total potential energy functional with a Ritz type of solution procedure making use of complex forms of shape functions for the dependent variables. The individual and collective effects of pretwist, precone, setting angle, thickness ratio and Coriolis forces on the natural frequencies and the buckling boundaries are presented. It is shown that the inclusion of Coriolis effects is necessary for blades of moderate to large thickness ratios while these effects are not so important for small thickness ratio blades. The possibility of buckling due to centrifugal softening terms for large values of precone and rotation is shown.

Subrahmanyam, K. B.↗
NASA NTRS1985

Vibration and buckling of rotating, pretwisted, preconed beams including Coriolis effects

The effects of pretwist, precone, setting angle and Coriolis forces on the vibration and buckling behavior of rotating, torsionally rigid, cantilevered beams were studied. The beam is considered to be clamped on the axis of rotation in one case, and off the axis of rotation in the other. Two methods are employed for the solution of the vibration problem: (1) one based upon a finite-difference approach using second order central differences for solution of the equations of motion, and (2) based upon the minimum of the total potential energy functional with a Ritz type of solution procedure making use of complex forms of shape functions for the dependent variables. The individual and collective effects of pretwist, precone, setting angle, thickness ratio and Coriolis forces on the natural frequencies and the buckling boundaries are presented. It is shown that the inclusion of Coriolis effects is necessary for blades of moderate to large thickness ratios while these effects are not so important for small thickness ratio blades. The possibility of buckling due to centrifugal softening terms for large values of precone and rotation is shown.

Subrahmanyam, K. B.↗
NASA NTRS1999

Pulsating Hydrodynamic Instability and Thermal Coupling in an Extended Landau/Levich Model of Liquid-Propellant Combustion

Hydrodynamic (Landau) instability in combustion is typically associated with the onset of wrinkling of a flame surface, corresponding to the formation of steady cellular structures as the stability threshold is crossed. In the context of liquid-propellant combustion, such instability has recently been shown to occur for critical values of the pressure sensitivity of the burning rate and the disturbance wavenumber, significantly generalizing previous classical results for this problem that assumed a constant normal burning rate. Additionally, however, a pulsating form of hydrodynamic instability has been shown to occur as well, corresponding to the onset of temporal oscillations in the location of the liquid/gas interface. In the present work, we consider the realistic influence of a nonzero temperature sensitivity in the local burning rate on both types of stability thresholds. It is found that for sufficiently small values of this parameter, there exists a stable range of pressure sensitivities for steady, planar burning such that the classical cellular form of hydrodynamic instability and the more recent pulsating form of hydrodynamic instability can each occur as the corresponding stability threshold is crossed. For larger thermal sensitivities, however, the pulsating stability boundary evolves into a C-shaped curve in the disturbance-wavenumber/ pressure-sensitivity plane, indicating loss of stability to pulsating perturbations for all sufficiently large disturbance wavelengths. It is thus concluded, based on characteristic parameter values, that an equally likely form of hydrodynamic instability in liquid-propellant combustion is of a nonsteady, long-wave nature, distinct from the steady, cellular form originally predicted by Landau.

Margolis, S. B.↗
NASA NTRS1999

Pulsating Hydrodynamic Instability in a Dynamic Model of Liquid-Propellant Combustion

Hydrodynamic (Landau) instability in combustion is typically associated with the onset of wrinkling of a flame surface, corresponding to the formation of steady cellular structures as the stability threshold is crossed. In the context of liquid-propellant combustion, such instability has recently been shown to occur for critical values of the pressure sensitivity of the burning rate and the disturbance wavenumber, significantly generalizing previous classical results for this problem that assumed a constant normal burning rate. Additionally, however, a pulsating form of hydrodynamic instability has been shown to occur as well, corresponding to the onset of temporal oscillations in the location of the liquid/gas interface. In the present work, we consider the realistic influence of a nonzero temperature sensitivity in the local burning rate on both types of stability thresholds. It is found that for sufficiently small values of this parameter, there exists a stable range of pressure sensitivities for steady, planar burning such that the classical cellular form of hydrodynamic instability and the more recent pulsating form of hydrodynamic instability can each occur as the corresponding stability threshold is crossed. For larger thermal sensitivities, however, the pulsating stability boundary evolves into a C-shaped curve in the disturbance-wavenumber/ pressure-sensitivity plane, indicating loss of stability to pulsating perturbations for all sufficiently large disturbance wavelengths. It is thus concluded, based on characteristic parameter values, that an equally likely form of hydrodynamic instability in liquid-propellant combustion is of a nonsteady, long-wave nature, distinct from the steady, cellular form originally predicted by Landau.

Margolis, Stephen B.↗
DOE OSTI2025

The transition from resistance to acceptance: Managing a marine invasive species in a changing world

Abstract Marine invasive species can transform coastal ecosystems, yet mitigating their effects can be difficult, and even impractical. Often, marine invasive species are managed at poorly matched spatial scales, and at the same time, rates of spread and establishment are increasing under climate change and can outpace resources available for population suppression. These circumstances challenge traditional conservation goals of maintaining a historic environmental state, especially for a species like the European green crab ( Carcinus maenas ), a formidable invader with few examples of successful long‐term removal programs. A management paradigm where decision alternatives include resisting or accepting a new ecological trajectory may be needed. We apply mathematical concepts from decision theory to develop a quantitative framework for navigating management decisions in this new resist‐accept paradigm. We develop a model of European green crab growth, removal and colonization, and we find optimal levels of removal effort that minimize both ecological change and removal cost. We establish a benchmark of colonization pressure at which green crab density becomes decoupled from a decision maker's actions, such that population control can no longer shape the invasion trajectory. For informing the decision boundary between resistance and acceptance, our results highlight that a decision maker's understanding of how removal cost scales with removal effort is more important than understanding the density‐impact relationship. We show that assuming stationary system dynamics can result in sub‐optimal levels of species removal effort, highlighting the importance of developing anticipatory management strategies by accounting for non‐stationary dynamics. Policy implications . For marine invasive species that can disperse across long distances and recolonize rapidly after removal, the focus of conservation policy should shift away from understanding how to resist change to understanding when to stop resisting change. Navigating this decision problem involves trade‐offs among competing objectives, highlighting the need for structured approaches to elicit objective weights that reflect the values of the decision maker. For natural resource managers facing possible ecosystem transformation, this decision framework can enable proactive and strategic decisions made under uncertainty in a changing world.

Keller, Abigail G. [Department of Environment Scie↗
NASA NTRS1999

Pulsating Hydrodynamic Instability and Thermal Coupling in an Extended Landau/Levich Model of Liquid-Propellant Combustion: Inviscid Analysis - 1

Hydrodynamic (Landau) instability in combustion is typically associated with the onset of wrinkling of a flame surface, corresponding to the formation of steady cellular structures as the stability threshold is crossed. In the context of liquid-propellant combustion, such instability has recently been shown to occur for critical values of the pressure sensitivity of the burning rate and the disturbance wavenumber, significantly generalizing previous classical results for this problem that assumed a constant normal burning rate. Additionally, however, a pulsating form of hydrodynamic instability has been shown to occur as well, corresponding to the onset of temporal oscillations in the location of the liquid/gas interface. In the present work, we consider the realistic influence of a non-zero temperature sensitivity in the local burning rate on both types of stability thresholds. It is found that for sufficiently small values of this parameter, there exists a stable range of pressure sensitivities for steady, planar burning such that the classical cellular form of hydrodynamic instability and the more recent pulsating form of hydrodynamic instability can each occur as the corresponding stability threshold is crossed. For larger thermal sensitivities, however, the pulsating stability boundary evolves into a C-shaped curve in the (disturbance-wavenumber, pressure-sensitivity) plane, indicating loss of stability to pulsating perturbations for all sufficiently large disturbance wavelengths. It is thus concluded, based on characteristic parameter values, that an equally likely form of hydrodynamic instability in liquid-propellant combustion is of a non-steady, long-wave nature, distinct from the steady, cellular form originally predicted by Landau.

Margolis, Stephen B.↗
NASA NTRS1971

On propagation of long waves in curved ducts.

Propagation of waves in curved ducts and pipes belong to the class of motion which is characterized by wave patterns totally different from those known in straight ducts or in unlimited space. The curvilinear boundaries are responsible for the appearance of a continuous standing radial wave which in turn affects the transmitted tangential waves. The purpose of this paper is to solve the problem of propagation of long acoustic waves in slightly and sharply bent ducts. This problem has been only partially analyzed by various authors. In this study two acoustic systems are considered which allow determination of the basic modes of motion and describe the transition and distortion of plane waves as they propagate down the curved channel. A detailed study of the behavior of waves in junctions between straight and curved ducts is also given. Solutions and expressions for principal modes of the wave are obtained by using the linearized equation of motion solved for its characteristic values. This original approach required a novel use of Bessel functions to determine the characteristic values of the steady and the decaying fields of motion.

Rostafinski, W.↗
NASA NTRS1974

A General Theory of Unsteady Compressible Potential Aerodynamics

The general theory of potential aerodynamic flow around a lifting body having arbitrary shape and motion is presented. By using the Green function method, an integral representation for the potential is obtained for both supersonic and subsonic flow. Under small perturbation assumption, the potential at any point, P, in the field depends only upon the values of the potential and its normal derivative on the surface, sigma, of the body. Hence, if the point P approaches the surface of the body, the representation reduces to an integro-differential equation relating the potential and its normal derivative (which is known from the boundary conditions) on the surface sigma. For the important practical case of small harmonic oscillation around a rest position, the equation reduces to a two-dimensional Fredholm integral equation of second-type. It is shown that this equation reduces properly to the lifting surface theories as well as other classical mathematical formulas. The question of uniqueness is examined and it is shown that, for thin wings, the operator becomes singular as the thickness approaches zero. This fact may yield numerical problems for very thin wings.

Morino, L.↗
NASA NTRS1985

Processing of laser formed SiC powder

Superior SiC characteristics can be achieved through the use of ideal constituent powders and careful post-synthesis processing steps. High purity SiC powders of approx. 1000 A uniform diameter, nonagglomerated and spherical were produced. This required major revision of the particle formation and growth model from one based on classical nucleation and growth to one based on collision and coalescence of Si particles followed by their carburization. Dispersions based on pure organic solvents as well as steric stabilization were investigated. Although stable dispersions were formed by both, subsequent part fabrication emphasized the pure solvents since fewer problems with drying and residuals of the high purity particles were anticipated. Test parts were made by the colloidal pressing technique; both liquid filtration and consolidation (rearrangement) stages were modeled. Green densities corresponding to a random close packed structure (approx. 63%) were achieved; this highly perfect structure has a high, uniform coordination number (greater than 11) approaching the quality of an ordered structure without introducing domain boundary effects. After drying, parts were densified at temperatures ranging from 1800 to 2100 C. Optimum densification temperatures will probably be in the 1900 to 2000 C range based on these preliminary results which showed that 2050 C samples had experienced substantial grain growth. Although overfired, the 2050 C samples exhibited excellent mechanical properties. Biaxial tensile strengths up to 714 MPa and Vickers hardness values of 2430 kg/sq mm 2 were both more typical of hot pressed than sintered SiC. Both result from the absence of large defects and the confinement of residual porosity (less than 2.5%) to small diameter, uniformly distributed pores.

Haggerty, J. S.↗
DOE OSTI2016

Multi-region approach to free-boundary three-dimensional tokamak equilibria and resistive wall instabilities

Free-boundary 3D tokamak equilibria and resistive wall instabilities are calculated using a new resistive wall model in the two-fluid M3D-C1 code. In this model, the resistive wall and surrounding vacuum region are included within the computational domain. This implementation contrasts with the method typically used in fluid codes in which the resistive wall is treated as a boundary condition on the computational domain boundary and has the advantage of maintaining purely local coupling of mesh elements. This new capability is used to simulate perturbed, free-boundary non-axisymmetric equilibria; the linear evolution of resistive wall modes; and the linear and nonlinear evolution of axisymmetric vertical displacement events (VDEs). Calculated growth rates for a resistive wall mode with arbitrary wall thickness are shown to agree well with the analytic theory. Equilibrium and VDE calculations are performed in diverted tokamak geometry, at physically realistic values of dissipation, and with resistive walls of finite width. Simulations of a VDE disruption extend into the current-quench phase, in which the plasma becomes limited by the first wall, and strong currents are observed to flow in the wall, in the SOL, and from the plasma to the wall.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Noise power spectrum of the fixed pattern noise in digital radiography detectors

Purpose: The fixed pattern noise in radiography image detectors is caused by various sources. Multiple readout circuits with gate drivers and charge amplifiers are used to efficiently acquire the pixel voltage signals. However, the multiple circuits are not identical and thus yield nonuniform system gains. Nonuniform sensitivities are also produced from local variations in the charge collection elements. Furthermore, in phosphor-based detectors, the optical scattering at the top surface of the columnar CsI growth, the grain boundaries, and the disorder structure causes spatial sensitivity variations. These nonuniform gains or sensitivities cause fixed pattern noise and degrade the detector performance, even though the noise problem can be partially alleviated by using gain correction techniques. Hence, in order to develop good detectors, comparative analysis of the energy spectrum of the fixed pattern noise is important. Methods: In order to observe the energy spectrum of the fixed pattern noise, a normalized noise power spectrum (NNPS) of the fixed pattern noise is considered in this paper. Since the fixed pattern noise is mainly caused by the nonuniform gains, we call the spectrum the gain NNPS. We first asymptotically observe the gain NNPS and then formulate two relationships to calculate the gain NNPS based on a nonuniform-gain model. Since the gain NNPS values are quite low compared to the usual NNPS, measuring such a low NNPS value is difficult. By using the average of the uniform exposure images, a robust measuring method for the gain NNPS is proposed in this paper. Results: By using the proposed measuring method, the gain NNPS curves of several prototypes of general radiography and mammography detectors were measured to analyze their fixed pattern noise properties. We notice that a direct detector, which is based on the a-Se photoconductor, showed lower gain NNPS than the indirect-detector case, which is based on the CsI scintillator. By comparing the gain NNPS curves of the indirect detectors, we could analyze the scintillator properties depending on the techniques for the scintillator surface processing. Conclusions: A robust measuring method for the NNPS of the fixed pattern noise of a radiography detector is proposed in this paper. The method can measure a stable gain NNPS curve, even though the fixed pattern noise level is quite low. From the measured gain NNPS curves, we can compare and analyze the detector properties in terms of producing the fixed pattern noise.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1995

Uniqueness of a solution of a steady state photochemical problem: Applications to Mars

Based on the conservation of chemical elements in chemical reactions, a rule is proved that the number of boundary conditions given by densities and/or nonzero velocities should not be less than the number of chemical elements in the system, and the boundary conditions for species given by densities and velocities should include all elements in the system. Applications of this rule to Mars are considered. It is shown that the problem of the CO2-H2O chemistry in the lower and middle atmosphere of Mars, say, in the range of 0-80 km does not have a unique solution, if only CO2 and H2O densities are given at the lower boundary, and the remaining boundary conditions are fluxes. Two examples of models of this type are discussed. Two models of the photochemistry of the Martian atmosphere, with and without nitrogen chemistry, are considered. The oxygen nonthermal escape ratio of 1.2 x 10(exp 8)/cu cm/s is given at 240 km and is balanced with the total hydrogen escape rate within an uncertainty of 1% for both models. Both models fit the measured O2 and CO mixing ratios, the O3 abundance, and the O2 1.27-micrometer dayglow almost within the uncertainties of the measured values, though the model without nitrogen chemistry fits better. The importance of nitrogen chemistry in the lower and middle atmosphere of Mars depends on a fine balance between production of NO and N in the upper atmosphere which is not known within the required accuracy.

Krasnopolsky, Vladimir A.↗
DOE OSTI2021

Inverse Design of Two-Dimensional Airfoils Using Conditional Generative Models and Surrogate Log-Likelihoods

Abstract This paper shows how to use conditional generative models in two-dimensional (2D) airfoil optimization to probabilistically predict good initialization points within the vicinity of the optima given the input boundary conditions, thus warm starting and accelerating further optimization. We accommodate the possibility of multiple optimal designs corresponding to the same input boundary condition and take this inversion ambiguity into account when designing our prediction framework. To this end, we first employ the conditional formulation of our previous work BézierGAN–Conditional BézierGAN (CBGAN)—as a baseline, then introduce its sibling conditional entropic BézierGAN (CEBGAN), which is based on optimal transport regularized with entropy. Compared with CBGAN, CEBGAN overcomes mode collapse plaguing conventional GANs, improves the average lift-drag (Cl/Cd) efficiency of airfoil predictions from 80.8% of the optimal value to 95.8%, and meanwhile accelerates the training process by 30.7%. Furthermore, we investigate the unique ability of CEBGAN to produce a log-likelihood lower bound that may help select generated samples of higher performance (e.g., aerodynamic performance). In addition, we provide insights into the performance differences between these two models with low-dimensional toy problems and visualizations. These results and the probabilistic formulation of this inverse problem justify the extension of our GAN-based inverse design paradigm to other inverse design problems or broader inverse problems.

Engineering↗