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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 19 records

Well-Balanced Second-Order Convex Limiting Technique for Solving the Serre–Green–Naghdi Equations

In this article, we introduce a numerical method for approximating the dispersive Serre–Green–Naghdi equations with topography using continuous finite elements. The method is an extension of the hyperbolic relaxation technique introduced in Guermond et al. (J Comput Phys 450:110809, 2022). It is explicit, second-order accurate in space, third-order accurate in time, and is invariant-domain preserving. It is also well balanced and parameter free. Special attention is given to the convex limiting technique when physical source terms are added in the equations. The method is verified with academic benchmarks and validated by comparison with laboratory experimental data.

97 MATHEMATICS AND COMPUTING↗

Sparse invariant domain preserving discontinuous Galerkin methods with subcell convex limiting

In this paper, we develop high-order nodal discontinuous Galerkin (DG) methods for hyperbolic conservation laws that satisfy invariant domain preserving properties using subcell flux corrections and convex limiting. These methods are based on a subcell flux corrected transport (FCT) methodology that involves blending a high-order target scheme with a robust, low-order invariant domain preserving method that is obtained using a graph viscosity technique. Furthermore, the new low-order discretizations are based on sparse stencils which do not increase with the polynomial degree of the high-order DG method. As a result, the accuracy of the low-order method does not degrade when used with high-order target methods. The method is applied to both scalar conservation laws, for which the discrete maximum principle is naturally enforced, and to systems of conservation laws such as the Euler equations, for which positivity of density and a minimum principle for specific entropy are enforced. Numerical results are presented on a number of benchmark test cases.

97 MATHEMATICS AND COMPUTING↗

Second-Order Invariant Domain Preserving ALE Approximation of Euler Equations

Abstract An invariant domain preserving arbitrary Lagrangian-Eulerian method for solving non-linear hyperbolic systems is developed. The numerical scheme is explicit in time and the approximation in space is done with continuous finite elements. The method is made invariant domain preserving for the Euler equations using convex limiting and is tested on various benchmarks.

Guermond, Jean-Luc↗

Second-order invariant domain preserving approximation of the compressible Navier–Stokes equations

Here, we present a fully discrete approximation technique for the compressible Navier–Stokes equations that is second-order accurate in time and space, semi-implicit, and guaranteed to be invariant domain preserving. The restriction on the time step is the standard hyperbolic CFL condition, i.e. τ ≲ O ( h ) / V where V is some reference velocity scale and h the typical meshsize.

42 ENGINEERING↗

A high-order explicit Runge-Kutta approximation technique for the shallow water equations

Here, we introduce a high-order space–time approximation of the Shallow Water Equations with sources that is invariant-domain preserving (IDP), well-balanced with respect to rest states, and employs a novel explicit Runge–Kutta (ERK) introduced in Ern and Guermond (SIAM J. Sci. Comput. 44(5), A3366–A3392, 2022) for systems of non-linear conservation equations. The resulting method is then numerically illustrated through verification and validation.

97 MATHEMATICS AND COMPUTING↗

Robust second-order approximation of the compressible Euler equations with an arbitrary equation of state

Here, this paper is concerned with the approximation of the compressible Euler equations supplemented with an arbitrary or tabulated equation of state. The proposed approximation technique is robust, formally second-order accurate in space, invariant-domain preserving, and works for every equation of state, tabulated or analytic, provided the pressure is nonnegative. An entropy surrogate functional that grows across shocks is proposed. The numerical method is verified with novel analytical solutions and then validated with several computational benchmarks seen in the literature including problems with composite waves.

97 MATHEMATICS AND COMPUTING↗

RAISHIN: A High-Resolution Three-Dimensional General Relativistic Magnetohydrodynamics Code

We have developed a new three-dimensional general relativistic magnetohydrodynamic (GRMHD) code, RAISHIN, using a conservative, high resolution shock-capturing scheme. The numerical fluxes are calculated using the Harten, Lax, & van Leer (HLL) approximate Riemann solver scheme. The flux-interpolated, constrained transport scheme is used to maintain a divergence-free magnetic field. In order to examine the numerical accuracy and the numerical efficiency, the code uses four different reconstruction methods: piecewise linear methods with Minmod and MC slope-limiter function, convex essentially non-oscillatory (CENO) method, and piecewise parabolic method (PPM) using multistep TVD Runge-Kutta time advance methods with second and third-order time accuracy. We describe code performance on an extensive set of test problems in both special and general relativity. Our new GRMHD code has proven to be accurate in second order and has successfully passed with all tests performed, including highly relativistic and magnetized cases in both special and general relativity.

Mizuno, Yosuke↗

Estimating Drag and Heating Coefficients for Hollow Reentry Objects in Transitional Flow Using DSMC

In NASA’s Object Reentry Survival Analysis Tool (ORSAT), aerodynamic drag and aerothermal heating coefficients are computed for each of the free-molecular, continuum, and transitional flow regimes using analytical and semi-analytical methods. These methods are typically limited to convex, blunt objects (such as spheres) and are applied to other objects such as boxes and cylinders using multiplicative “shape factors” to account for the different behavior. Previous literature has analyzed the aerodynamic and aerothermodynamic properties of flow around sharp-edged objects like boxes and cylinders in transitional flow, though only those objects with solid external boundaries. However, many reentry objects we have encountered in real spacecraft have been hollow (i.e., with the potential to allow flow through them). We present here preliminary results from analyses performed using the NASA Direct Simulation Monte Carlo (DSMC) Analysis Code (DAC) on hollow cylinders and boxes (with varying wall thickness-diameter ratio).

Marichalar, Jeremiah J.↗

A parametric study of effect of forebody shape on flow angularity at Mach 8

Flow angularity and static pressure measurements have been made on the lower surface of nine forebody models that simulate the bottom forward surface of a hypersonic aircraft. Measurements were made in an area of the forebody that represents the location of an inlet of a scramjet engine. A parametric variation of the forebody surface investigated the effect of: (1) spanwise curvature; (2) longitudinal curvature; and (3) planform shape on both flow angularity and static pressure distribution. Results of each of the three parametric variations of geometry were compared to those for the same flat delta forebody. Spanwise curvature results showed that a concave shape and the flat delta had the lowest flow angularity and lowest rate of increase in flow angularity with angle of attack. Longitudinal curvature results showed a convex surface to give the better flow at the higher angles of attack. The better of the two planform shapes tested was a convex elliptical shape. Limited flow field calculations were made at angles of attack using a three dimensional, method-of-characteristics program. In general, at all angles of attack there was agreement between data and theory.

Johnson, C. B.↗

Resilient Operating Constraints for Power Distribution Systems under Setpoint Attacks

Integration and operation of distributed generation (DG) and energy storage (ES) in power distribution systems are enabled by communication networks and embedded sensor and control devices that increase the vulnerability of the systems to cyber-threats, broadening the attack surface and making adversary actions more unpredictable. This paper proposes a methodology that uses ellipsoidal approximations to quantify the potential damage caused by successful attacks that affect, directly or indirectly, the desired operation setpoints and may drive the power distribution operation to unsafe states by violating the limits of voltage or line flows. More specifically, a new methodology is introduced to find the optimal non-symmetric operating constraints that can be imposed to each DG and ES in order to guarantee that the power distribution system is resilient to any malicious setpoints. The proposed method takes as inputs the system topology, DG and ES capabilities, and load limits to solve a convex optimization problem formulated using linear matrix inequalities (LMIs) and the power flow equations. The proposed solution is agnostic to the attacker's action or load profile and it does not require any assumption about the location or means of the attack. The numerical results on a test distribution feeder with several DG and ES illustrate how the proposed resilient operating constraints guarantee the security of the power distribution system under setpoint attacks.

Giraldo, Jairo↗

End-exclusion zones in strongly stretched, molten polymer brushes of arbitrary shape

Theories of strongly stretched polymer brushes, particularly the parabolic brush theory, are valuable for providing analytically tractable predictions for the thermodynamic behavior of surface-grafted polymers in a wide range of settings. Furthermore, the parabolic brush limit fails to describe polymers grafted to convex curved substrates, such as the surfaces of spherical nanoparticles or the interfaces of strongly segregated block copolymers. It has previously been shown that strongly stretched curved brushes require a boundary layer devoid of free chain ends, requiring modifications of the theoretical analysis. While this “end-exclusion zone” has been successfully incorporated into the descriptions of brushes grafted onto the outer surfaces of cylinders and spheres, the behavior of brushes on surfaces of arbitrary curvature has not yet been studied. We present a formulation of the strong-stretching theory for molten brushes on the surfaces of arbitrary curvature and identify four distinct regimes of interest for which brushes are predicted to possess end-exclusion zones, notably including regimes of positive mean curvature but negative Gaussian curvature. Through numerical solutions of the strong-stretching brush equations, we report predicted scaling of the size of the end-exclusion zone, the chain end distribution, the chain polarization, and the free energy of stretching with mean and Gaussian surface curvatures. Through these results, we present a comprehensive picture of how the brush geometry influences the end-exclusion zones and exact strong-stretching free energies, which can be applied, for example, to model the full spectrum of brush geometries encountered in block copolymer melt assembly.

36 MATERIALS SCIENCE↗

A more perfect vacuum

Design and operational features, problems and benefits of a Space Ultravacuum Research Facility (SURF), a wake shield, are discussed. SURF is primarily targeted at providing vacuums exceeding 10 to the -14th torr for performing materials processing experiments and, eventually, commercial-scale production. The materials to be processed would be at the apex of a convex shield, with the quality of vacuum limited mainly by the backscattering toward the wake surface of atmospheric molecules which have collided with molecules leaving the SURF surface. A stainless steel skin on the SURF, cured in orbit, is proposed as a means to minimize the molecules outgassed from the surface. Applications of SURF could include coating mirrors or other optical equipment, containerless melting and solidification of materials, and ultrapurification processing.

Naumann, Robert J.↗

Computational discovery of stable and metastable ternary oxynitrides

Materials design from first principles enables exploration of uncharted chemical spaces. Extensive computational searches have been performed for mixed-cation ternary compounds, but mixed-anion systems are gaining increased interest as well. Central to computational discovery is the crystal structure prediction, where the trade-off between reliance on prototype structures and size limitations of unconstrained sampling has to be navigated. We approach this challenge by letting two complementary structure sampling approaches compete. We use the kinetically limited minimization approach for high-throughput unconstrained crystal structure prediction in smaller cells up to 21 atoms. On the other hand, ternary—and, more generally, multinary—systems often assume structures formed by atomic ordering on a lattice derived from a binary parent structure. Thus, we additionally sample atomic configurations on prototype lattices with cells up to 56 atoms. Using this approach, we searched 65 different charge-balanced oxide–nitride stoichiometries, including six known systems as the control sample. The convex hull analysis is performed both for the thermodynamic limit and for the case of synthesis with activated nitrogen sources. We identified 34 phases that are either on the convex hull or within a viable energy window for potentially metastable phases. We further performed structure sampling for “missing” binary nitrides whose energies are needed for the convex hull analysis. Among these, we discovered metastable Ce3N4 as a nitride analog of the tetravalent cerium oxide, which becomes stable under slightly activated nitrogen condition µN > +0.07 eV. Given the outsize role of CeO2 in research and application, Ce3N4 is a potentially important discovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Remote sensing for detection of soil limitations in agricultural areas.

Research was initiated to establish remote sensing techniques for recognizing and mapping soil limitations to land use. Analysis of soils with limitations to land use because of dense subsoil (claypan) and unfavorable topography (convex sloping or depressional areas) was accomplished by experienced soil scientists utilizing a density slicing system. Maps of soil limitations were produced by photographing the color encoded density slicing analysis of an area. The percentage of each soil limitation was measured by the planimeter feature of the density slicing system. The initial results indicate that a density slicing system has great potential not only for delineating areas of similar soil limitations but also for indicating the percentage composition of an area.

Frazee, C. J.↗

Variance-Reduced Accelerated First-Order Methods: Central Limit Theorems and Confidence Statements

In this paper, we consider a strongly convex stochastic optimization problem and propose three classes of variable sample-size stochastic first-order methods: (i) the standard stochastic gradient descent method, (ii) its accelerated variant, and (iii) the stochastic heavy-ball method. In each scheme, the exact gradients are approximated by averaging across an increasing batch size of sampled gradients. We prove that when the sample size increases at a geometric rate, the generated estimates converge in mean to the optimal solution at an analogous geometric rate for schemes (i)–(iii). Based on this result, we provide central limit statements, whereby it is shown that the rescaled estimation errors converge in distribution to a normal distribution with the associated covariance matrix dependent on the Hessian matrix, the covariance of the gradient noise, and the step length. If the sample size increases at a polynomial rate, we show that the estimation errors decay at a corresponding polynomial rate and establish the associated central limit theorems (CLTs). Under certain conditions, we discuss how both the algorithms and the associated limit theorems may be extended to constrained and nonsmooth regimes. As a result, we provide an avenue to construct confidence regions for the optimal solution based on the established CLTs and test the theoretical findings on a stochastic parameter estimation problem.

Lei, Jinlong↗

Resilience-Motivated Distribution System Restoration Considering Electricity-Water-Gas Interdependency

A major outage in the electricity distribution system may affect the operation of water and natural gas supply systems, leading to an interruption of multiple services to critical customers. Therefore, enhancing resilience of critical infrastructures requires joint efforts of multiple sectors. In this paper, a distribution system service restoration method considering the electricity-water-gas interdependency is proposed. The objective is maximizing the supply of electricity, water, and gas to critical customers after an extreme event. The operational constraints of electricity, water, and natural gas networks are considered. Additionally, the characteristics of electricity-driven coupling components, including water pumps and gas compressors, are also modeled. Relaxation techniques are applied to non convex constraints posed by physical laws of those networks. Consequently, the restoration problem is formulated as a mixed-integer second-order cone program, which can readily be solved by the off-the-shelf solvers. The proposed method is validated by numerical simulations on an electricity-water-gas integrated system, developed based on benchmark models of the subsystems. The results indicate that considering the interdependency refines the allocation of limited generation resources and demonstrate the exactness of the proposed convex relaxation

24 POWER TRANSMISSION AND DISTRIBUTION↗

Nonlinear burn control in ITER using adaptive allocation of actuators with uncertain dynamics

Abstract ITER will be the first tokamak to sustain a fusion-producing, or burning, plasma. If the plasma temperature were to inadvertently rise in this burning regime, the positive correlation between temperature and the fusion reaction rate would establish a destabilizing positive feedback loop. Careful regulation of the plasma’s temperature and density, or burn control, is required to prevent these potentially reactor-damaging thermal excursions, neutralize disturbances and improve performance. In this work, a Lyapunov-based burn controller is designed using a full zero-dimensional nonlinear model. An adaptive estimator manages destabilizing uncertainties in the plasma confinement properties and the particle recycling conditions (caused by plasma–wall interactions). The controller regulates the plasma density with requests for deuterium and tritium particle injections. In ITER-like plasmas, the fusion-born alpha particles will primarily heat the plasma electrons, resulting in different electron and ion temperatures in the core. By considering separate response models for the electron and ion energies, the proposed controller can independently regulate the electron and ion temperatures by requesting that different amounts of auxiliary power be delivered to the electrons and ions. These two commands for a specific control effort (electron and ion heating) are sent to an actuator allocation module that optimally maps them to the heating actuators available to ITER: an electron cyclotron heating system (20 MW), an ion cyclotron heating system (20 MW), and two neutral beam injectors (16.5 MW each). Two different actuator allocators are presented in this work. The first actuator allocator finds the optimal mapping by solving a convex quadratic program that includes actuator saturation and rate limits. It is nonadaptive and assumes that the mapping between the commanded control efforts and the allocated actuators (i.e. the effector model) contains no uncertainties. The second actuator allocation module has an adaptive estimator to handle uncertainties in the effector model. This uncertainty includes actuator efficiencies, the fractions of neutral beam heating that are deposited into the plasma electrons and ions, and the tritium concentration of the fueling pellets. Furthermore, the adaptive allocator considers actuator dynamics (actuation lag) that contain uncertainty. This adaptive allocation algorithm is more computationally efficient than the aforementioned nonadaptive allocator because it is computed using dynamic update laws so that finding the solution to a static optimization problem is not required at every time step. A simulation study assesses the performance of the proposed adaptive burn controller augmented with each of the actuator allocation modules.

Physics↗