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DOE OSTI2023

Molecular-gas-dynamics simulations of turbulent Couette flow over a mean-free-path-scale permeable substrate

Here we report flow statistics and visualizations from molecular-gas-dynamics simulations using the direct simulation Monte Carlo (DSMC) method for turbulent Couette flow in a minimal domain where the lower wall is replaced by an idealized permeable fibrous substrate representative of thermal-protection-system materials for which the Knudsen number is O(10 -1 ). Comparisons are made with smooth-wall DSMC simulations and smooth-wall direct numerical simulations (DNS) of the Navier-Stokes equations for the same conditions. Roughness, permeability, and noncontinuum effects are assessed. In the range of Reynolds numbers considered herein, the scalings of the skin friction on the permeable substrate and of the mean flow within the substrate suggest that they are dominated by viscous effects. While the regenerative cycle characteristic of smooth-wall turbulence remains intact for all cases considered, we observe that the near-wall velocity fluctuations are modulated by the permeable substrate with a wavelength equal to the pore spacing. Additionally, the flow within the substrate shows significant rarefaction effects, resulting in an apparent permeability that is 13% larger than the intrinsic permeability. In contrast, the smooth-wall DSMC and DNS simulations exhibit remarkably good agreement for the statistics examined, despite the Knudsen number based on the viscous length scale being as large as O(10 -1 ). This latter result is at variance with classical estimates for the breakdown of the continuum assumption and calls for further investigations into the interaction of noncontinuum effects and turbulence.

42 ENGINEERING↗

DOE OSTI2022

PowerNet: Multi-agent Deep Reinforcement Learning for Scalable Powergrid Control

This paper develops an efficient multi-agent deep reinforcement learning algorithm for cooperative controls in powergrids. Specifically, we consider the decentralized inverter-based secondary voltage control problem in distributed generators (DGs), which is first formulated as a cooperative multi-agent reinforcement learning (MARL) problem. We then propose a novel on-policy MARL algorithm, PowerNet, in which each agent (DG) learns a control policy based on (sub-)global reward but local states and encoded communication messages from its neighbors. Motivated by the fact that a local control from one agent has limited impact on agents distant from it, we exploit a novel spatial discount factor to reduce the effect from remote agents, to expedite the training process and improve scalability. Furthermore, a differentiable, learning-based communication protocol is employed to foster the collaborations among neighboring agents. In addition, to mitigate the effects of system uncertainty and random noise introduced during on-policy learning, we utilize an action smoothing factor to stabilize the policy execution. To facilitate training and evaluation, we develop PGSim, an efficient, high-fidelity powergrid simulation platform. Here, experimental results in two microgrid setups show that the developed PowerNet outperforms the conventional model-based control method, as well as several state-of-the-art MARL algorithms. The decentralized learning scheme and high sample efficiency also make it viable to large-scale power grids.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2016

POLARIZED SYNCHROTRON EMISSIVITIES AND ABSORPTIVITIES FOR RELATIVISTIC THERMAL, POWER-LAW, AND KAPPA DISTRIBUTION FUNCTIONS

Synchrotron emission and absorption determine the observational appearances of many astronomical systems. In this paper, we describe a numerical scheme for calculating synchrotron emissivities and absorptivities in all four Stokes parameters for arbitrary gyrotropic electron distribution functions, building on earlier work by Leung, Gammie, and Noble. We use this technique to evaluate the emissivities and the absorptivities for a thermal (Maxwell–Jüttner), isotropic power-law, and an isotropic kappa distribution function. The latter contains a power-law tail at high particle energies that smoothly merges with a thermal core at low energies, as is characteristic of observed particle spectra in collisionless plasmas. We provide fitting formulae and error bounds on the fitting formulae for use in codes that solve the radiative transfer equation. The numerical method and the fitting formulae are implemented in a compact C library called symphony. We find that the kappa distribution has a source function that is indistinguishable from a thermal spectrum at low frequency and transitions to the characteristic self-absorbed synchrotron spectrum, ∝ν{sup 5/2}, at high frequency; the linear polarization fraction for a thermal spectrum is near unity at high frequency; and all distributions produce O(10%) circular polarization at low frequency for lines of sight sufficiently close to the magnetic field vector.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

SANTA BARBARA CLUSTER COMPARISON TEST WITH DISPH

The Santa Barbara cluster comparison project revealed that there is a systematic difference between entropy profiles of clusters of galaxies obtained by Eulerian mesh and Lagrangian smoothed particle hydrodynamics (SPH) codes: mesh codes gave a core with a constant entropy, whereas SPH codes did not. One possible reason for this difference is that mesh codes are not Galilean invariant. Another possible reason is the problem of the SPH method, which might give too much “protection” to cold clumps because of the unphysical surface tension induced at contact discontinuities. In this paper, we apply the density-independent formulation of SPH (DISPH), which can handle contact discontinuities accurately, to simulations of a cluster of galaxies and compare the results with those with the standard SPH. We obtained the entropy core when we adopt DISPH. The size of the core is, however, significantly smaller than those obtained with mesh simulations and is comparable to those obtained with quasi-Lagrangian schemes such as “moving mesh” and “mesh free” schemes. We conclude that both the standard SPH without artificial conductivity and Eulerian mesh codes have serious problems even with such an idealized simulation, while DISPH, SPH with artificial conductivity, and quasi-Lagrangian schemes have sufficient capability to deal with it.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1975

A numerical method for solving the Navier-Stokes equations with application to shock-boundary layer interactions

A numerical method for solving the compressible form of the unsteady Navier-Stokes equations is described. This method was originally presented in 1970 and has since been modified during the development of computer programs at Ames for implementing models that account for the effects of turbulence in shock-induced separated flows. Although this paper does not describe the turbulence models themselves, a complete description of the basic numerical method is given with emphasis on the choice of a computational mesh for high Reynolds number flows, finite-difference approximations for mixed partial derivatives, extension of the Courant-Friedrichs-Lewy stability condition for viscous flows, mesh boundary conditions, and numerical smoothing for strong shock-wave calculations.

Maccormack, R. W.↗

NASA NTRS1982

Automatic evaluation of interferograms

A system for the evaluation of interference patterns was developed. For digitizing and processing of the interferograms from classical and holographic interferometers a picture analysis system based upon a computer with a television digitizer was installed. Depending on the quality of the interferograms, four different picture enhancement operations may be used: Signal averaging; spatial smoothing, subtraction of the overlayed intensity function and the removal of distortion-patterns using a spatial filtering technique in the frequency spectrum of the interferograms. The extraction of fringe loci from the digitized interferograms is performed by a foating-threshold method. The fringes are numbered using a special scheme after the removal of any fringe disconnections which appeared if there was insufficient contrast in the holograms. The reconstruction of the object function from the fringe field uses least squares approximation with spline fit. Applications are given.

Becker, F.↗

NASA NTRS1992

Development of a 3-D upwind PNS code for chemically reacting hypersonic flowfields

Two new parabolized Navier-Stokes (PNS) codes were developed to compute the three-dimensional, viscous, chemically reacting flow of air around hypersonic vehicles such as the National Aero-Space Plane (NASP). The first code (TONIC) solves the gas dynamic and species conservation equations in a fully coupled manner using an implicit, approximately-factored, central-difference algorithm. This code was upgraded to include shock fitting and the capability of computing the flow around complex body shapes. The revised TONIC code was validated by computing the chemically-reacting (M(sub infinity) = 25.3) flow around a 10 deg half-angle cone at various angles of attack and the Ames All-Body model at 0 deg angle of attack. The results of these calculations were in good agreement with the results from the UPS code. One of the major drawbacks of the TONIC code is that the central-differencing of fluxes across interior flowfield discontinuities tends to introduce errors into the solution in the form of local flow property oscillations. The second code (UPS), originally developed for a perfect gas, has been extended to permit either perfect gas, equilibrium air, or nonequilibrium air computations. The code solves the PNS equations using a finite-volume, upwind TVD method based on Roe's approximate Riemann solver that was modified to account for real gas effects. The dissipation term associated with this algorithm is sufficiently adaptive to flow conditions that, even when attempting to capture very strong shock waves, no additional smoothing is required. For nonequilibrium calculations, the code solves the fluid dynamic and species continuity equations in a loosely-coupled manner. This code was used to calculate the hypersonic, laminar flow of chemically reacting air over cones at various angles of attack. In addition, the flow around the McDonnel Douglas generic option blended-wing-body was computed and comparisons were made between the perfect gas, equilibrium air, and the nonequilibrium air results.

Tannehill, J. C.↗

NASA NTRS1992

Mechanical forces and their second messengers in stimulating cell growth in vitro

Mechanical forces play an important role in modulating the growth of a number of different tissues including skeletal muscle, smooth muscle, cardiac muscle, bone, endothelium, epithelium, and lung. As interest increases in the molecular mechanisms by which mechanical forces are transduced into growth alterations, model systems are being developed to study these processes in tissue culture. This paper reviews the current methods available for mechanically stimulating tissue cultured cells. It then outlines some of the putative 'mechanogenic' second messengers involved in altering cell growth. Not surprisingly, many mechanogenic second messengers are the same as those involved in growth factor-induced cell growth. It is hypothesized that from an evolutionary standpoint, some second messenger systems may have initially evolved for unicellular organisms to respond to physical forces such as gravity and mechanical perturbation in their environment. As multicellular organisms came into existence, they appropriated these mechanogenic second messenger cascades for cellular regulation by growth factors.

Vandenburgh, Herman H.↗

NASA NTRS1994

Airfoil optimization by the one-shot method

An efficient numerical approach for the design of optimal aerodynamic shapes is presented in this paper. The objective of any optimization problem is to find the optimum of a cost function subject to a certain state equation (Governing equation of the flow field) and certain side constraints. As in classical optimal control methods, the present approach introduces a costate variable (Language multiplier) to evaluate the gradient of the cost function. High efficiency in reaching the optimum solution is achieved by using a multigrid technique and updating the shape in a hierarchical manner such that smooth (low-frequency) changes are done separately from high-frequency changes. Thus, the design variables are changed on a grid where their changes produce nonsmooth (high-frequency) perturbations that can be damped efficiently by the multigrid. The cost of solving the optimization problem is approximately two to three times the cost of the equivalent analysis problem.

Kuruvila, G.↗

NASA NTRS1996

A Numerical Simulation of Scattering from One-Dimensional Inhomogeneous Dielectric Random Surfaces

In this paper, an efficient numerical solution for the scattering problem of inhomogeneous dielectric rough surfaces is presented. The inhomogeneous dielectric random surface represents a bare soil surface and is considered to be comprised of a large number of randomly positioned dielectric humps of different sizes, shapes, and dielectric constants above an impedance surface. Clods with nonuniform moisture content and rocks are modeled by inhomogeneous dielectric humps and the underlying smooth wet soil surface is modeled by an impedance surface. In this technique, an efficient numerical solution for the constituent dielectric humps over an impedance surface is obtained using Green's function derived by the exact image theory in conjunction with the method of moments. The scattered field from a sample of the rough surface is obtained by summing the scattered fields from all the individual humps of the surface coherently ignoring the effect of multiple scattering between the humps. The statistical behavior of the scattering coefficient sigma(sup 0) is obtained from the calculation of scattered fields of many different realizations of the surface. Numerical results are presented for several different roughnesses and dielectric constants of the random surfaces. The numerical technique is verified by comparing the numerical solution with the solution based on the small perturbation method and the physical optics model for homogeneous rough surfaces. This technique can be used to study the behavior of scattering coefficient and phase difference statistics of rough soil surfaces for which no analytical solution exists.

Sarabandi, Kamal↗

NASA NTRS1995

Airfoil Design and Optimization by the One-Shot Method

An efficient numerical approach for the design of optimal aerodynamic shapes is presented in this paper. The objective of any optimization problem is to find the optimum of a cost function subject to a certain state equation (governing equation of the flow field) and certain side constraints. As in classical optimal control methods, the present approach introduces a costate variable (Lagrange multiplier) to evaluate the gradient of the cost function. High efficiency in reaching the optimum solution is achieved by using a multigrid technique and updating the shape in a hierarchical manner such that smooth (low-frequency) changes are done separately from high-frequency changes. Thus, the design variables are changed on a grid where their changes produce nonsmooth (high-frequency) perturbations that can be damped efficiently by the multigrid. The cost of solving the optimization problem is approximately two to three times the cost of the equivalent analysis problem.

Kuruvila, G.↗

NASA NTRS2003

[Technology Development for X-Ray Reflection for the Constellation-X Reflection Grating Spectrometer (RGS)]

This Grant covers MIT support for the technology development of x-ray reflection gratings for the Constellation-X Reflection Grating Spectrometer (RGS). Since the start of the Grant MIT has extended its previously-developed patterning and super-smooth, blazed grating fabrication technology to ten-times smaller grating periods and ten-times larger blaze angles to demonstrate feasibility and performance in the off-plane grating geometry. In the past year we successfully developed several nanoimprint grating replication methods that achieved very high fidelity replication of master silicon gratings. Grating geometry on the nano and macro scales were faithfully replicated, demonstrating the viability of the process for manufacturing the thousands of gratings required for the RGS. We also successfully developed an improved metrology truss for holding test grating substrates during metrology. The flatness goal of grating substrates is under 500 nm. In the past, grating holders would cause non-repeatable distortion of >> 500 nm to the substrates due to friction and gravity sag. The new holder has a repeatability of under 50 nm which is adequate for the proposed RGS grating substrates.

Schattenburg, Mark L.↗

NASA NTRS2013

Application of electrical stimulation for functional tissue engineering in vitro and in vivo

The present invention provides new methods for the in vitro preparation of bioartificial tissue equivalents and their enhanced integration after implantation in vivo. These methods include submitting a tissue construct to a biomimetic electrical stimulation during cultivation in vitro to improve its structural and functional properties, and/or in vivo, after implantation of the construct, to enhance its integration with host tissue and increase cell survival and functionality. The inventive methods are particularly useful for the production of bioartificial equivalents and/or the repair and replacement of native tissues that contain electrically excitable cells and are subject to electrical stimulation in vivo, such as, for example, cardiac muscle tissue, striated skeletal muscle tissue, smooth muscle tissue, bone, vasculature, and nerve tissue.

Radisic, Milica↗

DOE OSTI2018

Multiscale two-stage solver for Biot’s poroelasticity equations in subsurface media

In this paper, we propose a two-stage preconditioner for accelerating the iterative solution by a Krylov subspace method of Biot’s poroelasticity equations based on a displacement-pressure formulation. The spatial discretization combines a finite element method for mechanics and a finite volume approach for flow. The fully implicit backward Euler scheme is used for time integration. The result is a 2 × 2 block linear system for each timestep. The preconditioning operator is obtained by applying a two-stage scheme. The first stage is a global preconditioner that employs multiscale basis functions to construct coarse-scale coupled systems using a Galerkin projection. This global stage is effective at damping low-frequency error modes associated with long-range coupling of the unknowns. The second stage is a local block-triangular smoothing preconditioner, which is aimed at high-frequency error modes associated with short-range coupling of the variables. Lastly, various numerical experiments are used to demonstrate the robustness of the proposed solver.

58 GEOSCIENCES↗

DOE OSTI2014

Sparse signal reconstruction from polychromatic X-ray CT measurements via mass attenuation discretization

We propose a method for reconstructing sparse images from polychromatic x-ray computed tomography (ct) measurements via mass attenuation coefficient discretization. The material of the inspected object and the incident spectrum are assumed to be unknown. We rewrite the Lambert-Beer’s law in terms of integral expressions of mass attenuation and discretize the resulting integrals. We then present a penalized constrained least-squares optimization approach for reconstructing the underlying object from log-domain measurements, where an active set approach is employed to estimate incident energy density parameters and the nonnegativity and sparsity of the image density map are imposed using negative-energy and smooth ℓ{sub 1}-norm penalty terms. We propose a two-step scheme for refining the mass attenuation discretization grid by using higher sampling rate over the range with higher photon energy, and eliminating the discretization points that have little effect on accuracy of the forward projection model. This refinement allows us to successfully handle the characteristic lines (Dirac impulses) in the incident energy density spectrum. We compare the proposed method with the standard filtered backprojection, which ignores the polychromatic nature of the measurements and sparsity of the image density map. Numerical simulations using both realistic simulated and real x-ray ct data are presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2019

Cleanroom Contamination Identification Method Development

During fabrication, assembly, and testing of spacecraft and flight hardware it is vital to avoid contaminants that can cause degradation and could result in significant failure. Yet, there is no existing contamination monitoring method that provides the identity of airborne particles in a cleanroom facility. Knowing the particle identities, would allow scientists and engineers to determine the source of the contaminants and prevent setbacks before they occur or cause damage. Current cleanliness monitoring methods include airborne particle counters (APCs), fallout filters, and visual inspections. Particle counts from APCs are the primary metric used to define a cleanroom class and hence its level of cleanliness, but do not provide identification nor can they differentiate between large and small sizes of particles. In addition, using fallout filters is not a proactive, timely, or representative approach to cleanroom contamination monitoring because these samples are only retrieved after 30 days and are placed away from spacecraft processing to avoid interference with operations. In contrast, the forced air sampling method can collect a sample within an hour at any location required and provide results in less than a day. This system uses a cassette and filter sample medium to capture airborne particles which are then taken to a scanning electron microscope with energy dispersive spectroscopy (SEM/EDS) to identify and size the captured particles. Development of forced air sampling into an established laboratory capability will allow for fast sampling and routine identification of unknown contamination sources within the cleanroom. The test method development required market research for an air sampling cassette that increases sample collection efficiency and a filter with low enough background contamination to allow differentiation between a blank (control) and the collected sample. It was determined that a conductive black cassette and a polycarbonate filter were the best options. Conductive black cassettes, in comparison to the standard styrene, are manufactured using polypropylene filled with carbon. This makes the cassette conductive and minimizes the tendency of particles to stick to the wall of the cassette due to electrostatic force. In previous trials a mixed cellulose ester (MCE) filter was used to capture the contaminants, however the rougher surface of the filter contributed to entrapment of the particles within the filter structure and made it harder to identify the particles. In comparison, track etched polycarbonate filters have random cylindrical pores and a smooth surface which contributes to uniform sample distribution on the surface of the filter. Future work includes: testing the system using control samples to determine the efficiency and suitability of the medium, performing sample collection in various environments to establish ideal operating parameters and analyzing contaminant particles using SEM/EDS and assistant characterization techniques. Once fully developed, employing the forced air sampling method will help to prevent damage to spacecraft, avoid schedule delays, and allow for mission success.

Hernandez Melendez, Jailyn M.↗

DOE OSTI2019

Utilization of deep eutectic solvent as a degumming protocol for Apocynum venetum bast

Deep eutectic solvent (DES) pretreatment coupled with alkaline degumming on Apocynum venetum bast was studied for developing an eco-friendly and effective degumming method. Here, a 1:2 mixture of choline chloride and urea was used in a microwave-assisted DES pretreatment optimized to 60 min and 110 °C. The impact of the deep eutectic solvent pretreatment on the properties of produced semi-degummed and refined dry fibers were assessed by examining the fiber chemical composition, surface microstructure, cellulose crystallinity, degree of polymerization, and fiber thermal properties. The combined DES and alkaline degumming treatment effectively removed the gummy matter including hemicellulose and lignin from the A. venetum bast, providing a smooth and clean fiber surface. This combined DES and alkaline degumming treatment also shows the ability to extract amorphous cellulose, leading to an increase of fiber crystallinity and a decrease of the average cellulose molecular weight. The thermal stability of the fibers was improved significantly after the degumming treatment. The refined dry fibers produced by this combined DES-alkaline treatment exhibited comparable chemical and physical properties (e.g. residual gum content, fiber length, fiber fineness, breaking tenacity) compared with traditionally alkali degumming method. These results revealed that DES is a practical and feasible pretreatment protocol for A. venetum bast degumming.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2017

Large Thermal Motion in Halide Perovskites

Solar cells based on hybrid perovskites have shown high efficiency while possessing simple processing methods. To gain a fundamental understanding of their properties on an atomic level, we investigate single crystals of CH 3 NH 3 PbI 3 with a narrow transition (~5 K) near 327 K. Temperature dependent structural measurements reveal a persistent tetragonal structure with smooth changes in the atomic displacement parameters (ADPs) on crossing T*. We show that the ADPs for I ions yield extended flat regions in the potential wells consistent with the measured large thermal expansion parameter. Molecular dynamics simulations reveal that this material exhibits significant asymmetries in the Pb-I pair distribution functions. We also show that the intrinsically enhanced freedom of motion of the iodine atoms enables large deformations. This flexibility (softness) of the atomic structure results in highly localized atomic relaxation about defects and hence accounts for both the high carrier mobility as well as the structural instability.

36 MATERIALS SCIENCE↗

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