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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 109 records · Page 6

Elevated temperature fracture of RS/PM aluminum alloy 8009

The fracture behavior of advanced powder metallurgy Al-Fe-V-Si alloy 8009 (previously called FVS0812) is being characterized under monotonic loads, as a function of temperature. Particular attention is focused on contributions to the fracture mechanism from the fine grained dispersoid strengthened microstructure, dissolved solute from rapid solidification, and the moist air environment. Time-dependent crack growth is characterized in advanced aluminum alloys at elevated temperatures with the fracture mechanics approach, and cracking mechanisms are examined with a metallurgical approach. Specific tasks were to obtain standard load crack growth experimental information from a refined testing system; to correlate crack growth kinetics with the j-integral and time dependent C(sub t)(t); and to investigate the intermediate temperature embrittlement of 8009 alloy in order to understand crack growth mechanisms.

Porr, William C., Jr.↗

Effect of Computational Schemes on Coupled Flow and Geo-Mechanical Modeling of CO 2 Leakage through a Compromised Well

Carbon capture, utilization, and storage (CCUS) describes a set of technically viable processes to separate carbon dioxide (CO 2 ) from industrial byproduct streams and inject it into deep geologic formations for long-term storage. Legacy wells located within the spatial domain of new injection and production activities represent potential pathways for fluids (i.e., CO 2 and aqueous phase) to leak through compromised components (e.g., through fractures or micro-annulus pathways). The finite element (FE) method is a well-established numerical approach to simulate the coupling between multi-phase fluid flow and solid phase deformation interactions that occur in a compromised well system. We assumed the spatial domain consists of a three-phases system: a solid, liquid, and gas phase. For flow in the two fluids phases, we considered two sets of primary variables: the first considering capillary pressure and gas pressure (PP) scheme, and the second considering liquid pressure and gas saturation (PS) scheme. Fluid phases were coupled with the solid phase using the full coupling (i.e., monolithic coupling) and iterative coupling (i.e., sequential coupling) approaches. The challenge of achieving numerical stability in the coupled formulation in heterogeneous media was addressed using the mass lumping and the upwinding techniques. Numerical results were compared with three benchmark problems to assess the performance of coupled FE solutions: 1D Terzaghi’s consolidation, Liakopoulos experiments, and the Kueper and Frind experiments. We found good agreement between our results and the three benchmark problems. For the Kueper and Frind test, the PP scheme successfully captured the observed experimental response of the non-aqueous phase infiltration, in contrast to the PS scheme. These exercises demonstrate the importance of fluid phase primary variable selection for heterogeneous porous media. We then applied the developed model to the hypothetical case of leakage along a compromised well representing a heterogeneous media. Considering the mass lumping and the upwinding techniques, both the monotonic and the sequential coupling provided identical results, but mass lumping was needed to avoid numerical instabilities in the sequential coupling. Additionally, in the monolithic coupling, the magnitude of primary variables in the coupled solution without mass lumping and the upwinding is higher, which is essential for the risk-based analyses.

deformation flow↗

Dynamics of inspiraling dark energy

Abstract We investigate the dynamics of a multifield dark energy model, which arises from certain rapid-turning and inspiraling trajectories in field space. We find the speed of sound $$c_s$$ c s of the dark energy perturbations around the background and show that $$c_s$$ c s is monotonically decreasing with time. Furthermore, it has a positive-definite lower bound that implies a certain clustering scale. We also extend the previously known background solution for dark energy to an exact solution that includes matter. This allows us to address the implications of our model for two cosmological tensions. More precisely, we argue that the $$\sigma _8$$ σ 8 tension can be alleviated generically, while reducing the Hubble tension requires certain constraints on the parameter space of the model. Notably, a necessary condition for alleviating the Hubble tension is that the transition from matter domination to the dark energy epoch begins earlier than in $$\Lambda $$ Λ CDM.

Anguelova, Lilia↗

On a numerical sufficiency test for monotonic convergence of finite element models

Finite element analyses characterized by monotonic convergence include the discipline for meaningful measurements of convergence rate and consequently economical extrapolation. Few proposers of element models guarantee monotonic convergence for their elements. Thus, a need exists for an automatic test to classify available element models. This paper describes such a test - a test can be performed using a digital computer to guarantee that a particular element model imbues monotonicity. It describes the test and its basis. It examines seven element models for a rectangular membrane to illustrate the value of the tests. Besides confirming results already known, the application yields new data. It 'proves' monotonicity for two improved models, defines the range of element proportions for which another element can be guaranteed to exhibit monotonicity, and suggests that another element is deficient. In the special case of absolutely convergent membrane displacement models, proof of monotonicity is a necessary and sufficient condition to insure that upper bound estimates of strain energy are developed. Accordingly, the test furnishes a proof of bound solutions independently of requirements on displacement continuity the element basis may or may not satisfy.

Melosh, R. J.↗

On a spherical star system with a collapsed core

Exact solutions of Einstein's equations for a perfect fluid that describe the gravitational collapse of matter around a collapsed core are presented. The collapsed region grows monotonically until an absolute Schwarzschild horizon is formed. It is found that the minimum redshift of light emitted radially from the boundary of the system and received at infinity is approximately 4.62. These systems are expected to describe the very last stages in the gravitational collapse of a globular star cluster with a central collapsed core.

Glass, E. N.↗

An approximation theory for the identification of nonlinear distributed parameter systems

An abstract approximation framework for the identification of nonlinear distributed parameter systems is developed. Inverse problems for nonlinear systems governed by strongly maximal monotone operators (satisfying a mild continuous dependence condition with respect to the unknown parameters to be identified) are treated. Convergence of Galerkin approximations and the corresponding solutions of finite dimensional approximating identification problems to a solution of the original finite dimensional identification problem is demonstrated using the theory of nonlinear evolution systems and a nonlinear analog of the Trotter-Kato approximation result for semigroups of bounded linear operators. The nonlinear theory developed here is shown to subsume an existing linear theory as a special case. It is also shown to be applicable to a broad class of nonlinear elliptic operators and the corresponding nonlinear parabolic partial differential equations to which they lead. An application of the theory to a quasilinear model for heat conduction or mass transfer is discussed.

Banks, H. T.↗

An approximation theory for the identification of nonlinear distributed parameter systems

An abstract approximation framework for the identification of nonlinear distributed parameter systems is developed. Inverse problems for nonlinear systems governed by strongly maximal monotone operators (satisfying a mild continuous dependence condition with respect to the unknown parameters to be identified) are treated. Convergence of Galerkin approximations and the corresponding solutions of finite dimensional approximating identification problems to a solution of the original finite dimensional identification problem is demonstrated using the theory of nonlinear evolution systems and a nonlinear analog of the Trotter-Kato appproximation result for semigroups of bounded linear operators. The nonlinear theory developed here is shown to subsume an existing linear theory as a special case. It is also shown to be applicable to a broad class of nonlinear elliptic operators and the corresponding nonlinear parabolic partial differential equations to which they lead. An application of the theory to a quasilinear model for heat conduction or mass transfer is discussed.

Banks, H. T.↗

An analytical solution for the elastoplastic response of a continuous fiber composite under uniaxial loading

A continuous fiber composite is modelled by a two-element composite cylinder in order to predict the elastoplastic response of the composite under a monotonically increasing tensile loading parallel to fibers. The fibers and matrix are assumed to be elastic-perfectly plastic materials obeying Hill's and Tresca's yield criteria, respectively. Here, the composite behavior when the fibers yield prior to the matrix is investigated.

Lee, Jong-Won↗

High-accuracy method for modeling nucleation and growth of particles

State-of-the-art numerical models describing the kinetics of aerosol particle nucleation and growth from a cooling vapor primarily use a nodal method, in which particles that are smaller than the critical size are omitted from consideration because they are thermodynamically unfavorable. This omission is based on the assumption that most newly formed particles are above the critical size, so that subcritical-size particles are not important to take into account. Due to the nature of the nodal method, it suffers from numerical diffusion, which can cause an artificial broadening of the cluster size distribution leading to a significant overestimation of the number of large-size particles. To address these issues, we propose a more accurate numerical method that explicitly models particles of all sizes, and uses a special numerical scheme that substantially reduces the numerical diffusion and provides high solution accuracy and numerical stability. We extensively compare this novel method to the commonly used nodal solver of the general dynamic equation (GDE) for particle growth and demonstrate that it offers GDE solutions with higher accuracy with low numerical diffusion. Incorporating small subcritical clusters into the solution is crucial for: 1) more precise determination of the entire particle size distribution function and 2) wider applicability of the model to experimental studies with non-monotonic temperature variations leading to particle evaporation. The computational code implementing this numerical method in Python is available upon request.

42 ENGINEERING↗

Analytical description of the breakup of liquid jets in air

A viscous or inviscid cylindrical jet with surface tension in a vacuum tends to pinch due to the mechanism of capillary instability. Similarity solutions are constructed which describe this phenomenon as a critical time is encountered, for two physically distinct cases: inviscid jets governed by the Euler equations and highly viscous jets governed by the Stokes equations. In both cases the only assumption imposed is that at the time of pinching the jet shape has a radial length scale which is smaller than the axial length scale. For the inviscid case, we show that our solution corresponds exactly to one member of the one-parameter family of solutions obtained from slender jet theories and the shape of the jet is locally concave at breakup. For highly viscous jets our theory predicts local shapes which are monotonic increasing or decreasing indicating the formation of a mother drop connected to the jet by a thin fluid tube. This qualitative behavior is in complete agreement with both direct numerical simulations and experimental observations.

Papageorgiou, Demetrios T.↗

Construction of an Exact Pressure-Equilibrium Scheme for the Five-Equation Two-Phase Flow Model With Thermal Relaxation

Numerical simulation of compressible multiphase flows based on the four-equation (homogeneous relaxation) model is known to suffer from two fundamental difficulties with (a) wave propagation and (b) pressure equilibrium preservation. First, the mixture sound speed exhibits non-monotonic dependency with respect to the volume fraction, which leads to robustness issues in the resolution of shocks and acoustic wave propagation across two-phase regions. This difficulty can be mitigated by solving Allaire’s five-equation model augmented with infinitely fast phasic temperature equilibrium, from which solutions of the four-equation model can be recovered. However, when temperature is non-uniform, this augmented five-equation formulation still fails to preserve pressure equilibrium across material interfaces. In this work, we propose a fully conservative numerical scheme that exactly preserves pressure equilibrium at the discrete level for the augmented five-equation model, for arbitrary initial distributions of temperature and volume fraction. Combined with the monotonic sound speed property of the five-equation formulation, the proposed pressure-equilibrium preserving scheme significantly improves robustness in the presence of strong multiphase interactions, including shock–interface interactions and advection of material interfaces.

ESG↗

Improving climate model coupling through a complete mesh representation: a case study with E3SM (v1) and MOAB (v5.x)

One of the fundamental factors contributing to the spatiotemporal inaccuracy in climate modeling is the mapping of solution field data between different discretizations and numerical grids used in the coupled component models. The typical climate computational workflow involves evaluation and serialization of the remapping weights during the preprocessing step, which is then consumed by the coupled driver infrastructure during simulation to compute field projections. Tools like Earth System Modeling Framework (ESMF) and TempestRemap offer capability to generate conservative remapping weights, while the Model Coupling Toolkit (MCT) that is utilized in many production climate models exposes functionality to make use of the operators to solve the coupled problem. However, such multistep processes present several hurdles in terms of the scientific workflow and impede research productivity. In order to overcome these limitations, we present a fully integrated infrastructure based on the Mesh Oriented datABase (MOAB) library, which allows for a complete description of the numerical grids and solution data used in each submodel. Through a scalable advancing-front intersection algorithm, the supermesh of the source and target grids are computed, which is then used to assemble the high-order, conservative, and monotonicity-preserving remapping weights between discretization specifications. The Fortran-compatible interfaces in MOAB are utilized to directly link the submodels in the Energy Exascale Earth System Model (E3SM) to enable online remapping strategies in order to simplify the coupled workflow process. We demonstrate the superior computational efficiency of the remapping algorithms in comparison with other state-of-the-science tools and present strong scaling results on large-scale machines for computing remapping weights between the spectral element atmosphere and finite volume discretizations on the polygonal ocean grids.

58 GEOSCIENCES↗

Molecular-Weight-Dependent Infiltration and Adsorption of Polymers into Nanochannels

The mesoporous silica shell coating hydrogenolysis nano-catalysts alters the molecular weight distributions of cleaved polymer chains compared to catalysts without a shell. The shell, composed of radially aligned narrow cylindrical nanopores, reduces the formation of low-valued gaseous products and increases the median molecular weight of the product, thus enhancing the value of the products for polymer upcycling. Here, to understand the role of the mesoporous shell, we have studied the spatial distribution of polystyrene chains, used as a model polymer, in the nanochannels in both the melt phase and solution phase. In the melt, we observed from small-angle X-ray scattering experiments that the infiltration rate of the polymer into the nanochannels is inversely proportional to the molecular weight, which is consistent with theory. In theta solution experiments using UV–vis spectroscopy, we found that the shell significantly enhances polymer adsorption compared to nanoparticles without pores. In addition, the degree of polymer adsorption is not a monotonic function of molecular weight but initially increases with the molecular weight before eventually decreasing. The molecular weight for the peak adsorption increases with the pore diameter. This adsorption behavior is rationalized as resulting from a balance between the mixing entropy gain by surface adsorption and the conformational entropy penalty incurred by chains confined in the nanochannels. The spatial distribution of polymer chains in the nanochannels is visualized by energy-dispersive X-ray spectroscopy (EDX), and inverse Abel-transformed data reveals a less uniform polymer distribution along the primary pore axis for longer chains.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Automated CFD Database Generation for a 2nd Generation Glide-Back-Booster

A new software tool, AeroDB, is used to compute thousands of Euler and Navier-Stokes solutions for a 2nd generation glide-back booster in one week. The solution process exploits a common job-submission grid environment using 13 computers located at 4 different geographical sites. Process automation and web-based access to the database greatly reduces the user workload, removing much of the tedium and tendency for user input errors. The database consists of forces, moments, and solution files obtained by varying the Mach number, angle of attack, and sideslip angle. The forces and moments compare well with experimental data. Stability derivatives are also computed using a monotone cubic spline procedure. Flow visualization and three-dimensional surface plots are used to interpret and characterize the nature of computed flow fields.

Chaderjian, Neal M.↗

Stochastic projective splitting

Here, we present a new, stochastic variant of the projective splitting (PS) family of algorithms for inclusion problems involving the sum of any finite number of maximal monotone operators. This new variant uses a stochastic oracle to evaluate one of the operators, which is assumed to be Lipschitz continuous, and (deterministic) resolvents to process the remaining operators. Our proposal is the first version of PS with such stochastic capabilities. We envision the primary application being machine learning (ML) problems, with the method’s stochastic features facilitating “mini-batch” sampling of datasets. Since it uses a monotone operator formulation, the method can handle not only Lipschitz-smooth loss minimization, but also min–max and noncooperative game formulations, with better convergence properties than the gradient descent-ascent methods commonly applied in such settings. The proposed method can handle any number of constraints and nonsmooth regularizers via projection and proximal operators. We prove almost-sure convergence of the iterates to a solution and a convergence rate result for the expected residual, and close with numerical experiments on a distributionally robust sparse logistic regression problem.

97 MATHEMATICS AND COMPUTING↗

Asymptotic Expansions and Estimates for the Capillary Problem

The asymptotic properties for the small Bond number B of the equilibrium capillary interface interior to a circular cylindrical tube vertically dipped in an infinite reservoir of liquid are discussed. (The Bond number B is a dimensionless parameter which is the ratio of gravitational to capillary forces.) The formal expansion in powers of B of the solution to the differential equation describing the equilibrium surface (as can be obtained by standard perturbation methods) is proved to be truly asymptotic -- to all orders and uniformly in the variable and parameter gamma, the contact angle. Sequences of general estimates, in closed form, from above and from below, are also given for the solution and related functions. The M-th term in these sequences are asymptotically exact to order m. An idiosyncrasy of the problem, crucial in obtaining these estimates, is the absolute monotonicity of the structural function of the system in integral form.

Brulois, F. P.↗

Regularized Chapman-Enskog expansion for scalar conservation laws

Rosenau has recently proposed a regularized version of the Chapman-Enskog expansion of hydrodynamics. This regularized expansion resembles the usual Navier-Stokes viscosity terms at law wave-numbers, but unlike the latter, it has the advantage of being a bounded macroscopic approximation to the linearized collision operator. The behavior of Rosenau regularization of the Chapman-Enskog expansion (RCE) is studied in the context of scalar conservation laws. It is shown that thie RCE model retains the essential properties of the usual viscosity approximation, e.g., existence of traveling waves, monotonicity, upper-Lipschitz continuity..., and at the same time, it sharpens the standard viscous shock layers. It is proved that the regularized RCE approximation converges to the underlying inviscid entropy solution as its mean-free-path epsilon approaches 0, and the convergence rate is estimated.

Schochet, Steven↗

Generalized Kinetic Description of Steady-State Collisionless Plasmas

We present a general solution to the collisionless Boltzmann (Vlasov) equation for a free-flowing plasma along a magnetic field line using Liouville's theorem, allowing for an arbitrary potential structure including non-monotonicities. The constraints of the existing collisionless kinetic transport models are explored, and the need for a more general approach to the problem of self- consistent potential energy calculations is described. Then a technique that handles an arbitrary potential energy distribution along the field line is presented and discussed. For precipitation of magnetospherically trapped hot plasma, this model yields moment calculations that vary by up to a factor of two for various potential energy structures with the same total potential drop. The differences are much greater for the high-latitude outflow scenario, giving order of magnitude variations depending on the shape of the potential energy distribution.

Khazanov, G. V.↗