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At least 235 records · Page 13

Steady potential solver for unsteady aerodynamic analyses

Development of a steady flow solver for use with LINFLO was the objective of this report. The solver must be compatible with LINFLO, be composed of composite mesh, and have transonic capability. The approaches used were: (1) steady flow potential equations written in nonconservative form; (2) Newton's Method; (3) implicit, least-squares, interpolation method to obtain finite difference equations; and (4) matrix inversion routines from LINFLO. This report was given during the NASA LeRC Workshop on Forced Response in Turbomachinery in August of 1993.

Hoyniak, Dan↗

Parallel 3D Multi-Stage Simulation of a Turbofan Engine

A 3D multistage simulation of each component of a modern GE Turbofan engine has been made. An axisymmetric view of this engine is presented in the document. This includes a fan, booster rig, high pressure compressor rig, high pressure turbine rig and a low pressure turbine rig. In the near future, all components will be run in a single calculation for a solution of 49 blade rows. The simulation exploits the use of parallel computations by using two levels of parallelism. Each blade row is run in parallel and each blade row grid is decomposed into several domains and run in parallel. 20 processors are used for the 4 blade row analysis. The average passage approach developed by John Adamczyk at NASA Lewis Research Center has been further developed and parallelized. This is APNASA Version A. It is a Navier-Stokes solver using a 4-stage explicit Runge-Kutta time marching scheme with variable time steps and residual smoothing for convergence acceleration. It has an implicit K-E turbulence model which uses an ADI solver to factor the matrix. Between 50 and 100 explicit time steps are solved before a blade row body force is calculated and exchanged with the other blade rows. This outer iteration has been coined a "flip." Efforts have been made to make the solver linearly scaleable with the number of blade rows. Enough flips are run (between 50 and 200) so the solution in the entire machine is not changing. The K-E equations are generally solved every other explicit time step. One of the key requirements in the development of the parallel code was to make the parallel solution exactly (bit for bit) match the serial solution. This has helped isolate many small parallel bugs and guarantee the parallelization was done correctly. The domain decomposition is done only in the axial direction since the number of points axially is much larger than the other two directions. This code uses MPI for message passing. The parallel speed up of the solver portion (no 1/0 or body force calculation) for a grid which has 227 points axially.

Turner, Mark G.↗

Meshless Local Petrov-Galerkin (MLPG) Method with Orthogonal Polynomials for Euler-Bernoulli Beam Problems

In this paper, the feasibility of orthogonal polynomials in the meshless local Petrov Galerkin method (MLPG) method is studied. The orthogonal polynomials, Chebyshev and Legendre polynomials, are used in this MLPG method as trial functions. The test functions used were power functions with smooth derivatives at their ends. The performance of these methods is studied by applying these methods to Euler-Bernoulli beam problems. The MLPG-Galerkin and Legendre methods passed all the patch tests for simple beam problems. Next the formulations are tested on complex beam problems such as beams with partial loadings and continuous beam problems. Problems with load discontinuities and additional supports require special attention. Near discontinuities, judicious choice of number of nodes and nodal placements are needed to obtain accurate deflections, slopes, moments and shear forces. As polynomial functions are used, the large number of nodes can create a transformation matrix that is ill-conditioned, resulting in problems with the inversion of the matrix. The conditioning worsens as the number of nodes are increased beyond 20. Quadruple precision was needed for models to obtain accurate solutions. Even with quadruple precision the accuracy of the method suffers as the number of nodes is increased beyond 20. This appears to be a drawback of the MLPG-Chebyshev and MLPG-Legendre methods.

Raju, Ivatury S.↗

Influence of Thermally-Grown Oxide (TGO) Layer on the Driving Forces Associated with Failure in Environmental Barrier Coating (EBC) Systems

Environmental barrier coatings (EBC) is an enabling technology for the successful application of ceramic matrix composites (CMCs) in air-breathing gas turbine engines. Spallation of environmental barrier coating (EBC) induced by thermally grown oxide (TGO) layer is a key EBC failure mode. The TGO layer, resulting from steam oxidation, grows either from a silicon bond coat layer (if present) or from the silicon carbide (SiC) based substrate itself. Critical thickness of the TGO layer for failure is in the range of 20-30 microns but it can vary due to exposure temperature, microstructure etc. Current work at NASA Glenn Research Center, under the Revolutionary Tools and Methods (RTM) project is aimed at addressing associated failure modes in EBC systems and developing robust analysis tools to aid in the design/analysis of these systems. The objective of the current work is to conduct a sensitivity study to examine the influence of uniformly and non-uniformly grown oxide layers with or without damage on the associated driving forces leading to spallation of the EBC when subjected to isothermal loading. Initial results indicate that the presence of damage (vertical cracks caused by in-plane stresses) enhances the stresses that are present due to non-uniformity. However, the presence of non-uniformity itself is still the main factor influencing the magnitude of peel and shear stresses in the TGO layer.

Mital, Subodh K.↗

Real-space density kernel method for Kohn–Sham density functional theory calculations at high temperature

Kohn–Sham density functional theory calculations using conventional diagonalization based methods become increasingly expensive as temperature increases due to the need to compute increasing numbers of partially occupied states. In this work, we present a density matrix based method for Kohn–Sham calculations at high temperatures that eliminates the need for diagonalization entirely, thus reducing the cost of such calculations significantly. Specifically, we develop real-space expressions for the electron density, electronic free energy, Hellmann–Feynman forces, and Hellmann–Feynman stress tensor in terms of an orthonormal auxiliary orbital basis and its density kernel transform, the density kernel being the matrix representation of the density operator in the auxiliary basis. Using Chebyshev filtering to generate the auxiliary basis, we next develop an approach akin to Clenshaw–Curtis spectral quadrature to calculate the individual columns of the density kernel based on the Fermi operator expansion in Chebyshev polynomials and employ a similar approach to evaluate band structure and entropic energy components. We implement the proposed formulation in the SPARC electronic structure code, using which we show systematic convergence of the aforementioned quantities to exact diagonalization results, and obtain significant speedups relative to conventional diagonalization based methods. Finally, we employ the new method to compute the self-diffusion coefficient and viscosity of aluminum at 116 045 K from Kohn–Sham quantum molecular dynamics, where we find agreement with previous more approximate orbital-free density functional methods.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Interactions between solidification and compositional convection in mushy layers

Mushy layers are ubiquitous during the solidification of alloys. They are regions of mixed phase wherein solid crystals are bathed in the melt from which they grew. The matrix of crystals forms a porous medium through which the melt can flow, driven either by external forces or by its own buoyancy in a gravitational field. Buoyancy-driven convection of the melt depends both on temperature gradients, which are necessary for solidification, and on compositional gradients, which are generated as certain components of the alloy are preferentially incorporated in the solid phase and the remaining components are expelled into the melt. In fully liquid regions, the combined action of temperature and concentration on the density of the liquid can cause various forms of double-diffusive convection. However, in the interior of mushy regions the temperature and concentration are thermodynamically coupled so only single-diffusive convection can occur. Typically, the effect of composition on the buoyancy of the melt is much greater than the effect of temperature, and thus convection in mushy layers in driven primarily by the computational gradients within them. The rising interstitial liquid is relatively dilute, having come from colder regions of the mushy layer, where the liquidus concentration is lower, and can dissolve the crystal matrix through which it flows. This is the fundamental process by which chimneys are formed. It is a nonlinear process that requires the convective velocities to be sufficiently large, so fully fledged chimneys (narrow channels) might be avoided by means that weaken the flow. Better still would be to prevent convection altogether, since even weak convection will cause lateral, compositional inhomogeneities in castings. This report outlines three studies that examine the onset of convection within mushy layers.

Worster, M. Grae↗

Polyimide-Clay Composite Materials for Space Application

The introduction of nanometer-sized clay particles into a polyimide matrix has been shown to enhance the physical properties of specific polymer systems. The clay comprises large stacked platelets of the oxides of aluminum and silicon. These sheets have long dimensions on the order of tenths of a micrometer and thicknesses of several nanometers. Homogeneous dispersion of the clay platelets in the polymer matrix is necessary to achieve those enhancements in polymer properties. Natural montmorillonite with the empirical formula Na0.33Mg0.33Al1.67(OH)2(Si4O10) contains exchangeable inorganic cations. The clay lamellae stack together with the positive sodium ions situated between the surfaces of the individual sheets to balance negatively charged oxygen atoms that are on the surfaces of the sheets. These surface charges contribute to strong electrostatic forces which hold the sheets together tightly. Exfoliation can be accomplished only with unusual measures. In preparing clay nanocomposites, we have taken two steps to try to reduce these interlamellar forces in order to promote the separation (exfoliation) of the sheets and the dispersion of the individual clay particles throughout the organic polymer matrix. In the first step, some of the surface Na(+) ions are replaced with Li(+) ions. Unlike sodium cations, the lithium cations migrate into the interior of the lamellae when the system is heated. Their departure from the surface reduces the surface charge and therefore the attractive forces between the sheets. The loss of alkali metal cations from the surface can be measured as the cation exchange capacity (CEC) of the clay. For example, we found that the CEC of montmorillonite clay was reduced by almost two thirds by treating it with lithium ions and heating to 250 C for 24 hr. Lesser heating has a smaller effect on the CEC. X-ray diffraction measurements show that the d-spacing decreased from ca. 1.34 to 0.97 nm, apparently a consequence of a collapse of the clay layers. We observed that the d-spacing can be varied by altering the heat treatment. In the second part of our effort to reduce the interlamellar forces, the remaining inorganic surface cations were replaced by the trimethylphenylammonium ion (TMPA), the biphenyltrimethylammonium ion (BTMA), or the tetraphenylphosphonium ion (TPP).

Orwoll, Robert A.↗

Skeletal model reduction with forced optimally time dependent modes

Skeletal model reduction based on local sensitivity analysis of time dependent systems is presented in which sensitivities are modeled by forced optimally time dependent (f-OTD) modes. The f-OTD factorizes the sensitivity coefficient matrix into a compressed format as the product of two skinny matrices, i.e. f-OTD modes and f-OTD coefficients. The modes create a low-dimensional, time dependent, orthonormal basis which capture the directions of the phase space associated with most dominant sensitivities. These directions highlight the instantaneous active species, and reaction paths. Evolution equations for the f-OTD modes and coefficients are derived, and the implementation of f-OTD for skeletal reduction is described. For demonstration, skeletal reduction is conducted of the constant pressure ethylene-air burning in a zero-dimensional reactor, and new reduced models are generated. The laminar flame speed, the ignition delay, and the extinction curve as predicted by the models are compared against some existing skeletal models in literature for the same detailed model. Finally, the results demonstrate the capability of f-OTD to eliminate unimportant reactions and species in a systematic, efficient and accurate manner.

42 ENGINEERING↗

Recent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force Fields

Reactive force fields provide an affordable model for simulating chemical reactions at a fraction of the cost of quantum mechanical approaches. However, classically accounting for chemical reactivity often comes at the expense of accuracy and transferability, while computational cost is still large relative to nonreactive force fields. Here, we summarize recent efforts for improving the performance of reactive force fields in these three areas with a focus on the ReaxFF theoretical model. To improve accuracy, we describe recent reformulations of charge equilibration schemes to overcome unphysical long-range charge transfer, new ReaxFF models that account for explicit electrons, and corrections for energy conservation issues of the ReaxFF model. To enhance transferability we also highlight new advances to include explicit treatment of electrons in the ReaxFF and hybrid nonreactive/reactive simulations that make it possible to model charge transfer, redox chemistry, and large systems such as reverse micelles within the framework of a reactive force field. To address the computational cost, we review recent work in extended Lagrangian schemes and matrix preconditioners for accelerating the charge equilibration method component of ReaxFF and improvements in its software performance in LAMMPS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mutations in the Pectin Methyltransferase QUASIMODO2 Influence Cellulose Biosynthesis and Wall Integrity in Arabidopsis

Abstract Pectins are abundant in the cell walls of dicotyledonous plants, but how they interact with other wall polymers and influence wall integrity and cell growth has remained mysterious. Here, we verified that QUASIMODO2 (QUA2) is a pectin methyltransferase and determined that QUA2 is required for normal pectin biosynthesis. To gain further insight into how pectin affects wall assembly and integrity maintenance, we investigated cellulose biosynthesis, cellulose organization, cortical microtubules, and wall integrity signaling in two mutant alleles of Arabidopsis (Arabidopsis thaliana) QUA2, qua2 and tsd2. In both mutants, crystalline cellulose content is reduced, cellulose synthase particles move more slowly, and cellulose organization is aberrant. NMR analysis shows higher mobility of cellulose and matrix polysaccharides in the mutants. Microtubules in mutant hypocotyls have aberrant organization and depolymerize more readily upon treatment with oryzalin or external force. The expression of genes related to wall integrity, wall biosynthesis, and microtubule stability is dysregulated in both mutants. These data provide insights into how homogalacturonan is methylesterified upon its synthesis, the mechanisms by which pectin functionally interacts with cellulose, and how these interactions are translated into intracellular regulation to maintain the structural integrity of the cell wall during plant growth and development.

Biochemistry & Molecular Biology↗

Robot arm dynamic model reduction for control

General methods are described by which the mathematical complexities of explicit and exact state equations of robot arms can be reduced to a simplified and compact state equation representation without introducing significant errors into the robot arm dynamic model. The model reduction methods are based on homogeneous coordinates and on the Langrangian algorithm for robot arm dynamics, and utilize matrix, vector and numeric analysis techniques. The derivation of differential vector representation of centripetal and Coriolis forces which has not yet been established in the literature is presented.

Bejczy, A. K.↗

Transitioning of power flow in beam models with bends

The propagation of power flow through a dynamically loaded beam model with 90 degree bends is investigated using NASTRAN and McPOW. The transitioning of power flow types (axial, torsional, and flexural) is observed throughout the structure. To get accurate calculations of the torsional response of beams using NASTRAN, torsional inertia effects had to be added to the mass matrix calculation section of the program. Also, mass effects were included in the calculation of BAR forces to improve the continuity of power flow between elements. The importance of including all types of power flow in an analysis, rather than only flexural power, is indicated by the example. Trying to interpret power flow results that only consider flexural components in even a moderately complex problem will result in incorrect conclusions concerning the total power flow field.

Hambric, Stephen A.↗

Improved Composites Using Crosslinked, Surface-Modified Carbon Nanotube Materials

Individual carbon nanotubes (CNTs) exhibit exceptional tensile strength and stiffness; however, these properties have not translated well to the macroscopic scale. Premature failure of bulk CNT materials under tensile loading occurs due to the relatively weak frictional forces between adjacent CNTs, leading to poor load transfer through the material. When used in polymer matrix composites (PMCs), the weak nanotube-matrix interaction leads to the CNTs providing less than optimal reinforcement.Our group is examining the use of covalent crosslinking and surface modification as a means to improve the tensile properties of PMCs containing carbon nanotubes. Sheet material comprised of unaligned multi-walled carbon nanotubes (MWCNT) was used as a drop-in replacement for carbon fiber in the composites. A variety of post-processing methods have been examined for covalently crosslinking the CNTs to overcome the weak inter-nanotube shear interactions, resulting in improved tensile strength and modulus for the bulk sheet material. Residual functional groups from the crosslinking chemistry may have the added benefit of improving the nanotube-matrix interaction. Composites prepared using these crosslinked, surface-modified nanotube sheet materials exhibit superior tensile properties to composites using the as received CNT sheet material.

polymer matrix composite↗

Probability Bounds Analysis Applied to Multi-Purpose Crew Vehicle Nonlinearity

The Multi-Purpose Crew Vehicle (MPCV) Program Orion vehicle finite element model (FEM) was updated based on a modal test performed by Lockheed Martin. Due to nonlinearity observed in the test results, linear low force level (LL) and high force level (HL) FEMs were developed for use during various Space Launch System (SLS) flight regimes depending on expected forcing levels. Uncertainty models were derived for the combined MPCV and MPCV Stage Adaptor LL and HL Hurty/Craig-Bampton (HCB) components based on the MPCV structural test article Configuration 4 modal test-analysis correlation results. Subsequently, system-level uncertainty quantification analyses were performed using both models for various SLS flight configurations to determine the impact of the nonlinearity on important system metrics. The system metrics included both transfer functions associated with attitude control and dynamic loads associated with aerodynamic buffeting during ascent. In each case, an independent Monte Carlo (MC) analysis was performed, and no attempt was made to combine the results. The Hybrid Parametric Variation (HPV) method was used to develop the LL and HL MPCV HCB uncertainty models. The HPV method provides both parametric and non-parametric components of uncertainty. The non-parametric uncertainty accounts for the difference in model-form between the linearized analytical model and the corresponding linearized component test results in the form of mode shapes and frequencies at that force level. This linear model-form uncertainty is implemented in the HPV method using random matrix theory. However, the HPV uncertainty models developed for the linear LL and HL MPCV components do not account for the nonlinearity in the MPCV. With respect to the linearized models, this nonlinearity is also an uncertainty in model form, but in this case, it must be treated independently as an epistemic uncertainty. It represents a lack of knowledge, in contrast to an aleatory uncertainty due to the randomness of a variable. In the case of an epistemic variable, the true value is unknown, only the interval within which it lies is known. Epistemic uncertainty can be reduced with increased knowledge, while in general, aleatory uncertainty cannot. This work combines the epistemic uncertainty due to the MPCV nonlinearity with the parametric and non-parametric uncertainty within the HPV method using a second order propagation approach. The LL and HL test data is augmented with surrogate test data derived from a nonlinear MPCV representation. The impact of the MPCV nonlinearity on system response statistics is determined using a series of cumulative distribution functions in the form of a horsetail plot, or p-box. This results in an interval of probabilities for a specific response value, or an interval of response values at a specific probability.

Daniel C Kammer↗

In-Situ Scanning Electron Microscope Experiments for Microscale Mechanical Testing and Validated Modeling of Fiber Reinforced Thermoplastics

A novel, in-situ, scanning electron microscope (SEM) mechanical testing capability for materials at the microscale which provides experimental validation to a machine learning (ML) toolset for full-field validation of physics-based micromechanics models is being developed by researchers at NASA Glenn Research Center. These are enabling technologies for the integration of multiscale digital twins for materials into system level models which will result in the improved performance, material discovery, reduced production cost and time, rapid characterization, and prognostic structural health monitoring (SHM) for materials and structures for extreme environments in support of NASA space exploration missions. In order to bridge the material structure-to-system gap for digital twins, physics-based models must be experimentally validated at multiple length scales. Seminal microscale experiments, conducted at the Air Force Research Laboratory (AFRL), were limited to transverse compression of single-layer, unidirectional thermoset polymer matrix composite (PMC) micropillar specimens [1]. The early phases of the current project followed those initial results and setup to reproduce the compression testing of PMC material on the custom-built piezoelectric actuated micromechanical testing rig built by MicroTesting Solutions LLC. In this work, samples of thermoplastic PMC material were first machined into 3 mm cubes, and then further machining and final milling was done using a Focused Ion Beam (FIB). The initial experiment was done on a pillar roughly 20 µm x 20 µm x 40 µm tall. Additional pillars were milled with final sizes ranging from 20 µm x 20 µm x 40 µm tall to 40 µm x 40 µm x 65 µm tall. A speckle pattern for in-situ full-field measurements using Digital Image Correlation (DIC) was applied with platinum, which was coated on the surface, and then the FIB was used to mill away some of the coating to produce an irregular pattern of Pt on the pillar surface. The samples were loaded into the custom testing rig and placed into the SEM and loaded under compression until failure. Images were collected in the SEM during testing. Post-processing of the images was conducted using DIC to obtain full-field displacement and strain measurements elucidating the role of the matrix as well as fiber-fiber interaction at the microscale within the composite subjected to compression loading well into the non-linear regime of the material. Moreover, the evolution of fiber-matrix debonding and matrix cracking is observed in-situ at the microscale. This data, along with images segmented with a newly developed ML toolset [2], was used to create and validate physics-based micromechanics models. An image of the failed micropillar is shown in Figure 1. The techniques developed in the initial compression experiment was tailored to the validation needs of the models and expanded to include different sized samples as well as possibly tension and fatigue.

Laura Wilson↗

Assessing Cybersecurity Resilience of Distributed Ledger Technology in Energy Sector Using the MITRE ATT&CK® ICS Framework

Digitization in the power industry enables wide connectivity among multiple new entrants such as DERs, prosumers, and P2P counterparts within or outside the Distributed Ledger Technology (DLT). The use of DLT to improve resilience in the power grid has growing support, but new technology provides new opportunities for adversaries to cause harm. This work completed by the Cybersecurity- focused task force of IEEE SA P2418.5 evaluates the potential risks by applying the MITRE ATT&CK® ICS matrix to the DLT Engineering and Cybersecurity Stack designed for power systems applications

Gourisetti, Sri Nikhil Gupta↗

Anisotropic Optical and Frictional Properties of Langmuir–Blodgett Film Consisting of Uniaxially-Aligned Rod-Shaped Cellulose Nanocrystals

Langmuir–Blodgett (LB) film deposition gives an opportunity to control the packing density and orientation of anisotropic nanoparticles at a monolayer level, allowing accurate characterization of their anisotropic material properties. Additionally, the uniaxial deposition of rod-shaped cellulose nanocrystals (CNCs) over a macroscopically large area is achieved by aligning the long axis of CNCs on the LB trough with the direction of the maximum drag force within the meniscus during the vertical pulling of the substrate from the LB trough. On the uniaxially-aligned LB films, anisotropic linear and non-linear optical properties of CNCs are obtained using Mueller matrix spectroscopy and sum frequency generation spectroscopy, respectively, and explained with time-dependent density functional theory calculations. Also, the frictional anisotropy of the LB film is measured using atomic force microscopy and explained theoretically. The findings of this study will be valuable for preparation of anisotropic nanoparticle thin films with uniform arrangements and utilization of their anisotropic material properties.

36 MATERIALS SCIENCE↗

Critical speeds and forced response solutions for active magnetic bearing turbomachinery, part 1

The prediction of critical speeds and forced response of active magnetic bearing turbomachinery is of great interest due to the increased use of this new and promising technology. Calculating the system undamped critical speeds and forced response is important to all those who are involved in the design of the active magnetic bearing system. An extended Jeffcott model which was used as an approximate solution to a more accurate transfer matrix procedure is presented. Theory behind a two-degree-of freedom extended Jeffcoat model is presented. Results of the natural frequency calculation are shown followed by the results of the forced response calculation. The system response was predicted for two types of forcing. A constant magnitude excitation with a wide frequency variation was applied at the bearings as one forcing function. The normal unbalance force at the midspan was the second source of excitation. The results of this extended Jeffcott solution gives useful design guidance for the influence of the first and third modes of a symmetric rotor system.

Keesee, J.↗