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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
NASA NTRS1988

Structural optimization with aeroelastic constraints of rotor blades with straight and swept tips

This paper describes a study in which structural optimization techniques are used to minimize the n/rev vertical hub shears in forward flight, subject to aeroelastic stability constraints and frequency placement constraints. A special technique is used to build a sequence of approximate, inexpensive to solve optimization problems, the solutions of which converge to the solution of the exact, expensive to solve optimization problem. Blade configurations with both straight and swept tips, and single- and double-cell cross sections are analyzed. The results show that the approach used in this study is very efficient, and produces improved designs with a very small number of blade aeroelastic analyses.

Celi, R.↗
DOE OSTI2022

Performance Analysis of Speculative Parallel Adaptive Local Timestepping for Conservation Laws

Stable simulation of conservation laws, such as those used to model fluid dynamics and plasma physics applications, requires the satisfaction of the so-called Courant-Friedrichs-Lewy condition. By allowing regions of the mesh to advance with different timesteps that locally satisfy this stability constraint, significant work reduction can be attained when compared to a time integration scheme using a single timestep size. However, parallelizing this algorithm presents considerable difficulty. Since the stability condition depends on the state of the system, dependencies become dynamic and potentially non-local. In this article, we present an adaptive local timestepping algorithm using an optimistic (Timewarp-based) parallel discrete event simulation. We introduce waiting heuristics to limit misspeculation and a semi-static load balancing scheme to eliminate load imbalance as parts of the mesh require finer or coarser timesteps. Last, we outline an interface for separating the physics of the specific conservation law from the temporal integration allowing for productive adoption of our proposed algorithm. We present a misspeculation study for three conservation laws, demonstrating both the productivity of the local timestepping API, for which 74% of the lines of code are reused across different conservation laws, and the robustness of the waiting heuristics—at most 1.5% of element updates are rolled back. Our performance studies demonstrate up to a 2.8× speedup versus a baseline unoptimized local timestepping approach, a 4x improvement in per-node throughput compared to an MPI parallelization of synchronous timestepping, and scalability up to 3,072 cores on NERSC’s Cori Haswell partition.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Ultra-thin enzymatic liquid membrane for CO 2 separation and capture

Here, the limited flux and selectivities of current carbon dioxide membranes and the high costs associated with conventional absorption-based CO 2 sequestration call for alternative CO 2 separation approaches. Here we describe an enzymatically active, ultra-thin, biomimetic membrane enabling CO 2 capture and separation under ambient pressure and temperature conditions. The membrane comprises a ~18-nm-thick close-packed array of 8 nm diameter hydrophilic pores that stabilize water by capillary condensation and precisely accommodate the metalloenzyme carbonic anhydrase (CA). CA catalyzes the rapid interconversion of CO 2 and water into carbonic acid. By minimizing diffusional constraints, stabilizing and concentrating CA within the nanopore array to a concentration 10× greater than achievable in solution, our enzymatic liquid membrane separates CO 2 at room temperature and atmospheric pressure at a rate of 2600 GPU with CO 2 /N 2 and CO 2 /H 2 selectivities as high as 788 and 1500, respectively, the highest combined flux and selectivity yet reported for ambient condition operation.

42 ENGINEERING↗
NASA NTRS1989

Structural optimization of rotor blades with straight and swept tips subject to aeroelastic constraints

The main conclusions obtained in the present study are summarized. Their application to the structural optimization of a helicopter blade should be limited by the assumptions used in obtaining the numerical results presented here. The optimum design procedure described here is very efficient, and can produce improved designs with a very limited number of precise analyses. The method of constructing the approximate problem is such that previously conducted aeroelastic analyses can be reused in a new optimization problem. For example, if an optimization study is preceded by a parametric study in which the effect of various combinations of blade design parameters is examined, all the aeroelastic analyses performed for the parametric study can be reutilized in the optimization study. This is not possible when the approximate problem is built from Taylor series expansions. The results of the optimization are quite sensitive to the aeroelastic stability margins required of the blade. In the optimization of case 2, changing the aeroelastic stability constraints from simply requiring that the blade be stable in hover, to requiring that the stability margins be maintained during the course of the optimization, reduced the gains in n/rev vibration levels by more than 50 percent. The introduction of tip sweep can reduce the n/rev vertical hub shears beyond the level that can be obtained by just modifying the mass and stiffness distributions of the blade.

Friedmann, Peretz P.↗
NASA NTRS1992

Second-order state estimation experiments using acceleration measurements

The estimation of dynamic states for feedback control of structural systems using second-order differential equations and acceleration measurements is described. The formulation of the observer model, and the design of the observer gains is discussed in detail. It is shown the second-order observer is highly stable because the stability constraints on the observer gains are model independent. The limitation of the proposed observer is the need for 'nearly' collocated actuators and accelerometers. Experimental results using a control-structure interaction testbed are presented that show the second-order observer provided more stability than a Kalman filter estimator without decreasing closed-loop performance.

Belvin, W. K.↗
DOE OSTI2014

From binaries to multiples. II. Hierarchical multiplicity of F and G dwarfs

Statistics of hierarchical multiplicity among solar-type dwarfs are studied using the distance-limited sample of 4847 targets presented in the accompanying Paper I. Known facts about binaries (multiplicity fraction 0.46, lognormal period distribution with median period 100 yr and logarithmic dispersion 2.4, and nearly uniform mass-ratio distribution independent of the period) are confirmed with a high statistical significance. The fraction of hierarchies with three or more components is 0.13 ± 0.01, and the fractions of targets with n = 1, 2, 3, ... components are 54:33:8:4:1. Subsystems in the secondary components are almost as frequent as in the primary components, but in half of such cases both inner pairs are present. The high frequency of those 2+2 hierarchies (4%) suggests that both inner pairs were formed by a common process. The statistics of hierarchies can be reproduced by simulations, assuming that the field is a mixture coming from binary-rich and binary-poor environments. Periods of the outer and inner binaries are selected recursively from the same lognormal distribution, subject to the stability constraint and accounting for the correlation between inner subsystems. The simulator can be used to evaluate the frequency of multiple systems with specified parameters. However, it does not reproduce the observed excess of inner periods shorter than 10 days, caused by tidal evolution.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Explicit Monotone Stable Super-Time-stepping Methods for Finite Time Singularities

We explore a novel way to numerically resolve the scaling behavior of finite-time singularities in solutions of nonlinear parabolic PDEs. The Runge–Kutta–Legendre (RKL) and Runge–Kutta–Gegenbauer (RKG) super-time-stepping methods were originally developed for nonlinear complex physics problems with diffusion. These are multistage single step second-order, forward-in-time methods with no implicit solves. The advantage is that the time-step size for stability scales with stage number 𝑠 as $\mathcal{O}$⁡(𝑠 2 ). Many interesting nonlinear PDEs have finite-time singularities, and the presence of diffusion often limits one to using implicit or semi-implicit time-step methods for stability constraints. Finite-time singularities are particularly challenging due to the large range of scales that one desires to resolve, often with adaptive spatial grids and adaptive time steps. Here, in this study, we show two examples of nonlinear PDEs for which the self-similar singularity structure has time and space scales that are resolvable using the RKL and RKG methods, without forcing even smaller time steps. Compared to commonly used implicit numerical methods, we achieve a significantly smaller run time while maintaining comparable accuracy. We also prove numerical monotonicity for both the RKL and RKG methods under their linear stability conditions for the constant coefficient heat equation, in the case of infinite domain and periodic boundary condition, leading to a theoretical guarantee of the superiority of the RKL and RKG methods over traditional super-time-stepping methods, such as the Runge-Kutta-Chebyshev and the orthogonal Runge-Kutta-Chebyshev methods. Code can be found at https://github.com/ZT220501/SRK-Singularity.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1990

Constraint treatment techniques and parallel algorithms for multibody dynamic analysis

Computational procedures for kinematic and dynamic analysis of three-dimensional multibody dynamic (MBD) systems are developed from the differential-algebraic equations (DAE's) viewpoint. Constraint violations during the time integration process are minimized and penalty constraint stabilization techniques and partitioning schemes are developed. The governing equations of motion, a two-stage staggered explicit-implicit numerical algorithm, are treated which takes advantage of a partitioned solution procedure. A robust and parallelizable integration algorithm is developed. This algorithm uses a two-stage staggered central difference algorithm to integrate the translational coordinates and the angular velocities. The angular orientations of bodies in MBD systems are then obtained by using an implicit algorithm via the kinematic relationship between Euler parameters and angular velocities. It is shown that the combination of the present solution procedures yields a computationally more accurate solution. To speed up the computational procedures, parallel implementation of the present constraint treatment techniques, the two-stage staggered explicit-implicit numerical algorithm was efficiently carried out. The DAE's and the constraint treatment techniques were transformed into arrowhead matrices to which Schur complement form was derived. By fully exploiting the sparse matrix structural analysis techniques, a parallel preconditioned conjugate gradient numerical algorithm is used to solve the systems equations written in Schur complement form. A software testbed was designed and implemented in both sequential and parallel computers. This testbed was used to demonstrate the robustness and efficiency of the constraint treatment techniques, the accuracy of the two-stage staggered explicit-implicit numerical algorithm, and the speed up of the Schur-complement-based parallel preconditioned conjugate gradient algorithm on a parallel computer.

Chiou, Jin-Chern↗
DOE OSTI2014

Stability of the Kepler-11 system and its origin

A significant fraction of Kepler systems are closely packed, largely coplanar, and circular. We study the stability of a six-planet system, Kepler-11, to gain insights on the dynamics and formation history of such systems. Using a technique called 'frequency maps' as fast indicators of long-term stability, we explore the stability of the Kepler-11 system by analyzing the neighborhood space around its orbital parameters. Frequency maps provide a visual representation of chaos and stability, and their dependence on orbital parameters. We find that the current system is stable, but lies within a few percent of several dynamically dangerous two-body mean-motion resonances. Planet eccentricities are restricted below a small value, ∼0.04, for long-term stability, but planet masses can be more than twice their reported values (thus allowing for the possibility of mass loss by past photoevaporation). Based on our frequency maps, we speculate on the origin of instability in closely packed systems. We then proceed to investigate how the system could have been assembled. The stability constraints on Kepler-11 (mainly eccentricity constraints) suggest that if the system were assembled in situ, a dissipation mechanism must have been at work to neutralize the eccentricity excitation. On the other hand, if migration was responsible for assembling the planets, there has to be little differential migration among the planets to avoid them either getting trapped into mean motion resonances, or crashing into each other.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Interactive Exploration of High-Dimensional Phase Diagrams

High-dimensional thermodynamic phase stability databases are becoming increasingly common due to the convergence of three recent trends: (i) the widespread interest in so-called “high-entropy” alloys, (ii) the availability of high-throughput computational assessments of phase stability in broad composition spaces and (iii) the ongoing development of ever-increasingly broad, multicomponent, multiphase CALPHAD databases. Although automated computational tools can readily process such high-dimensional data, scientists are often unable to visualize the relevant phase relations, an ability that is crucial to gaining an intuitive understanding of the stability constraints governing materials design. The present work addresses this need by providing algorithms that enable the interactive exploration of phase equilibria in high-dimensional spaces. These algorithms concentrate the complex nonlinear nonsmooth optimization needed into a preprocessing step that generates a large number of high-dimensional yet elementary graphical primitives. Furthermore, these primitives can then be cross-sectioned to yield 3-dimensional views in a computationally efficient manner that enables an interactive exploration of high-dimensional spaces. All of these operations are highly parallelizable, thus facilitating scaling of this method to large data sets.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Reactive power planning under high penetration of wind energy using Benders decomposition

This study addresses the optimal allocation of reactive power volt-ampere reactive (VAR) sources under the paradigm of high penetration of wind energy. Reactive power planning (RPP) in this particular condition involves a high level of uncertainty because of wind power characteristic. To properly model wind generation uncertainty, a multi-scenario framework optimal power flow that considers the voltage stability constraint under the worst wind scenario and transmission N 1 contingency is developed. The objective of RPP in this study is to minimise the total cost including the VAR investment cost and the expected generation cost. Therefore RPP under this condition is modelled as a two-stage stochastic programming problem to optimise the VAR location and size in one stage, then to minimise the fuel cost in the other stage, and eventually, to find the global optimal RPP results iteratively. Benders decomposition is used to solve this model with an upper level problem (master problem) for VAR allocation optimisation and a lower problem (sub-problem) for generation cost minimisation. Impact of the potential reactive power support from doubly-fed induction generator (DFIG) is also analysed. Lastly, case studies on the IEEE 14-bus and 118-bus systems are provided to verify the proposed method.

17 WIND ENERGY↗
DOE OSTI2020

Analysis of Laminar Convective Heat Transfer Over Structured Non-Wetting Surfaces

Structured non-wetting surfaces provide alternating no-slip and partial slip boundary conditions to the fluid flow which, in turn, affects the convective heat transfer performance over the surfaces. In this work, an analytical model is developed for the interfacial Nusselt number, the overall Nusselt number and a thermal hydraulic performance factor for fluid flow in a cylinder patterned with structured non-wetting surfaces, for the two cases of uniform wall heat flux and uniform wall temperature. In addition, by considering the stability of the Cassie state of wettability and its transition to the Wenzel state for flow over superhydrophobic surfaces, the present model overcomes certain limitations of the previously reported studies in the literature. Based on the analytical formulations and the stability constraints, the present paper provides optimum design maps for tailoring structured non-wetting surfaces for maximizing convective heat transfer and the combined thermal-hydraulic performance in applications. Use of the design maps on example cases is also discussed. It is shown that the use of structured non-wetting surfaces is most effective for low Reynolds numbers and/or small cylinder radius.

42 ENGINEERING↗
DOE OSTI2018

Defect phase diagram for doping of Ga 2 O 3

For the case of n-type doping of β-Ga 2 O 3 by group 14 dopants (C, Si, Ge, Sn), a defect phase diagram is constructed from defect equilibria calculated over a range of temperatures (T), O partial pressures (pO 2 ), and dopant concentrations. The underlying defect levels and formation energies are determined from first-principles supercell calculations with GW bandgap corrections. Only Si is found to be a truly shallow donor, C is a deep DX-like (lattice relaxed donor) center, and Ge and Sn have defect levels close to the conduction band minimum. The thermodynamic modeling includes the effect of association of dopant-defect pairs and complexes, which causes the net doping to decline when exceeding a certain optimal dopant concentration. The optimal doping levels are surprisingly low, between about 0.01% and 1% of cation substitution, depending on the (T, pO 2 ) conditions. Considering further the stability constraints due to sublimation of molecular Ga 2 O, specific predictions of optimized pO 2 and Si dopant concentrations are given. To conclude, the incomplete passivation of dopant-defect complexes in β-Ga 2 O 3 suggests a design rule for metastable doping above the solubility limit.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Direct implicit and explicit energy-conserving particle-in-cell methods for modeling of capacitively coupled plasma devices

Achieving large-scale kinetic modeling is a crucial task for the development and optimization of modern plasma devices. With the trend of decreasing pressure in applications, such as plasma etching, kinetic simulations are necessary to self-consistently capture the particle dynamics. The standard, explicit, electrostatic, momentum-conserving particle-in-cell method suffers from restrictive stability constraints on spatial cell size and temporal time step, requiring resolution of the electron Debye length and electron plasma period, respectively. This results in a very high computational cost, making the technique prohibitive for large volume device modeling. We investigate the direct implicit algorithm and the explicit energy conserving algorithm as alternatives to the standard approach, both of which can reduce computational cost with a minimal (or controllable) impact on results. These algorithms are implemented into the well-tested EDIPIC-2D and LTP-PIC codes, and their performance is evaluated via 2D capacitively coupled plasma discharge simulations. The investigation reveals that both approaches enable the utilization of cell sizes larger than the Debye length, resulting in a reduced runtime, while incurring only minor inaccuracies in plasma parameters. The direct implicit method also allows for time steps larger than the electron plasma period; however, care must be taken to avoid numerical heating or cooling. It is demonstrated that by appropriately adjusting the ratio of cell size to time step, it is possible to mitigate this effect to an acceptable level.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Learning thermodynamically constrained equations of state with uncertainty

Numerical simulations of high energy-density experiments require equation of state (EOS) models that relate a material’s thermodynamic state variables—specifically pressure, volume/density, energy, and temperature. EOS models are typically constructed using a semi-empirical parametric methodology, which assumes a physics-informed functional form with many tunable parameters calibrated using experimental/simulation data. Since there are inherent uncertainties in the calibration data (parametric uncertainty) and the assumed functional EOS form (model uncertainty), it is essential to perform uncertainty quantification (UQ) to improve confidence in EOS predictions. Model uncertainty is challenging for UQ studies since it requires exploring the space of all possible physically consistent functional forms. Thus, it is often neglected in favor of parametric uncertainty, which is easier to quantify without violating thermodynamic laws. This work presents a data-driven machine learning approach to constructing EOS models that naturally captures model uncertainty while satisfying the necessary thermodynamic consistency and stability constraints. We propose a novel framework based on physics-informed Gaussian process regression (GPR) that automatically captures total uncertainty in the EOS and can be jointly trained on both simulation and experimental data sources. A GPR model for the shock Hugoniot is derived, and its uncertainties are quantified using the proposed framework. We apply the proposed model to learn the EOS for the diamond solid state of carbon using both density functional theory data and experimental shock Hugoniot data to train the model and show that the prediction uncertainty is reduced by considering thermodynamic constraints.

Sharma, Himanshu (ORCID:000900050235718X)↗
DOE OSTI2015

DEBRIS DISTRIBUTION IN HD 95086—A YOUNG ANALOG OF HR 8799

HD 95086 is a young early-type star that hosts (1) a 5 M{sub J} planet at the projected distance of 56 AU revealed by direct imaging, and (2) a prominent debris disk. Here we report the detection of 69 μm crystalline olivine feature from the disk using the Spitzer/MIPS-SED data covering 55-95 μm. Due to the low resolution of the MIPS-SED mode, this feature is not spectrally resolved, but is consistent with the emission from crystalline forsterite contributing ∼5% of the total dust mass. We also present detailed analysis of the disk spectral energy distribution and re-analysis of resolved images obtained by Herschel. Our results suggest that the debris structure around HD 95086 consists of a warm (∼175 K) belt, a cold (∼55 K) disk, and an extended disk halo (up to ∼800 AU), and is very similar to that of HR 8799. We compare the properties of the three debris components, and suggest that HD 95086 is a young analog of HR 8799. We further investigate and constrain single-planet, two-planet, three-planet, and four-planet architectures that can account for the observed debris structure and are compatible with dynamical stability constraints. We find that equal-mass four-planet configurations of geometrically spaced orbits, with each planet of mass ∼ 5 M{sub J} , could maintain the gap between the warm and cold debris belts, and also be just marginally stable for timescales comparable to the age of the system.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

The case for mixed dark matter from sterile neutrinos

Sterile neutrinos are SU(2) singlets that mix with active neutrinos via a mass matrix, its diagonalization leads to mass eigenstates that couple via standard model vertices. We study the cosmological production of heavy neutrinos via standard model charged and neutral current vertices under a minimal set of assumptions: i) the mass basis contains a hierarchy of heavy neutrinos , ii) these have very small mixing angles with the active (flavor) neutrinos, iii) standard model particles, including light (active-like) neutrinos are in thermal equilibrium. If kinematically allowed, the same weak interaction processes that produce active-like neutrinos also produce the heavier species. We introduce the quantum kinetic equations that describe their production, freeze out and decay and discuss the various processes that lead to their production in a wide range of temperatures assessing their feasibility as dark matter candidates. The final distribution function at freeze-out is a mixture of the result of the various production processes. We identify processes in which finite temperature collective excitations may lead to the production of the heavy species. As a specific example, we consider the production of heavy neutrinos in the mass range M {sub h} ∼< 140 MeV from pion decay shortly after the QCD crossover including finite temperature corrections to the pion form factors and mass. We consider the different decay channels that allow for the production of heavy neutrinos showing that their frozen distribution functions exhibit effects from ''kinematic entanglement'' and argue for their viability as mixed dark matter candidates. We discuss abundance, phase space density and stability constraints and argue that heavy neutrinos with lifetime τ> 1/ H {sub 0} freeze out of local thermal equilibrium, and conjecture that those with lifetimes τ || 1/ H {sub 0} may undergo cascade decay into lighter DM candidates and/or inject non-LTE neutrinos into the cosmic neutrino background. We provide a comparison with non-resonant production via active-sterile mixing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Non-Fermi Liquids from Kinetic Constraints in Tilted Optical Lattices

Here we study Fermi-Hubbard models with kinetically constrained dynamics that conserves both total particle number and total center of mass, a situation that arises when interacting fermions are placed in strongly tilted optical lattices. Through a combination of analytics and numerics, we show how the kinetic constraints stabilize an exotic non-Fermi liquid phase described by fermions coupled to a gapless bosonic field, which in several respects mimics a dynamical gauge field. This offers a novel route towards the study of non-Fermi liquid phases in the precision environments afforded by ultracold atom platforms.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗