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At least 379 records · Page 21

Future energy infrastructure, energy platform and energy storage

Today fossil energy dominates energy consumption across the world. There has been an increasing momentum to reduce fossil energy consumption and increase renewable energy utilization to more than 70%. Such high penetrations of distributed renewable resources bring large uncertainty and complexity that cannot be easily handled by the current infrastructure. For the last two decades, telecommunication industry has gone through a similar transition from centralized to distributed systems, and more recently to platform approaches, which become the corner stone of today’s vibrant platform economy. Based on telecommunication history, we believe that a platform-based approach, called the energy platform, is a viable solution for addressing the renewable energy challenges. The energy platform consists of an array of computational algorithms, sensing and control technologies for key industry, energy generators and users to jointly manage and control the complex energy infrastructure. It includes the following key components: (1) the hardware and software to generate, store, control and transmit electricity/data (the energy cloud), (2) the digital platforms and tools for key energy producers, digital, service and communication industry to share the assets, participate in and manage the complex infrastructure, and for customers to participate in energy transactions, (3) the transaction platform for new service and business models. Additionally, the energy platform requires breakthroughs in large scale energy storage and many other areas including efficient power electronics, sensors and controls, new mathematical and computational tools, and deep integration of energy technologies and information sciences to control and stabilize such complex chaotic systems.

25 ENERGY STORAGE↗

Sparse Superpixel Unmixing for Hyperspectral Image Analysis

Software was developed that automatically detects minerals that are present in each pixel of a hyperspectral image. An algorithm based on sparse spectral unmixing with Bayesian Positive Source Separation is used to produce mineral abundance maps from hyperspectral images. A superpixel segmentation strategy enables efficient unmixing in an interactive session. The algorithm computes statistically likely combinations of constituents based on a set of possible constituent minerals whose abundances are uncertain. A library of source spectra from laboratory experiments or previous remote observations is used. A superpixel segmentation strategy improves analysis time by orders of magnitude, permitting incorporation into an interactive user session (see figure). Mineralogical search strategies can be categorized as supervised or unsupervised. Supervised methods use a detection function, developed on previous data by hand or statistical techniques, to identify one or more specific target signals. Purely unsupervised results are not always physically meaningful, and may ignore subtle or localized mineralogy since they aim to minimize reconstruction error over the entire image. This algorithm offers advantages of both methods, providing meaningful physical interpretations and sensitivity to subtle or unexpected minerals.

Castano, Rebecca↗

Polarization Lidar Liquid Cloud Detection Algorithm for Winter Mountain Storms

We have collected an extensive polarization lidar dataset from elevated sites in the Tushar Mountains of Utah in support of winter storm cloud seeding research and experiments. Our truck-mounted ruby lidar collected zenith, dual-polarization lidar data through a roof window equipped with a wiper system to prevent snowfall accumulation. Lidar returns were collected at a rate of one shot every 1 to 5 min during declared storm periods over the 1985 and 1987 mid-Jan. to mid-Mar. Field seasons. The mid-barrier remote sensor field site was located at 2.57 km MSL. Of chief interest to weather modification efforts are the heights of supercooled liquid water (SLW) clouds, which must be known to assess their 'seedability' (i.e., temperature and height suitability for artificially increasing snowfall). We are currently re-examining out entire dataset to determine the climatological properties of SLW clouds in winter storms using an autonomous computer algorithm.

Sassen, Kenneth↗

Algorithms for Maneuvering Spacecraft Around Small Bodies

A document describes mathematical derivations and applications of autonomous guidance algorithms for maneuvering spacecraft in the vicinities of small astronomical bodies like comets or asteroids. These algorithms compute fuel- or energy-optimal trajectories for typical maneuvers by solving the associated optimal-control problems with relevant control and state constraints. In the derivations, these problems are converted from their original continuous (infinite-dimensional) forms to finite-dimensional forms through (1) discretization of the time axis and (2) spectral discretization of control inputs via a finite number of Chebyshev basis functions. In these doubly discretized problems, the Chebyshev coefficients are the variables. These problems are, variously, either convex programming problems or programming problems that can be convexified. The resulting discrete problems are convex parameter-optimization problems; this is desirable because one can take advantage of very efficient and robust algorithms that have been developed previously and are well established for solving such problems. These algorithms are fast, do not require initial guesses, and always converge to global optima. Following the derivations, the algorithms are demonstrated by applying them to numerical examples of flyby, descent-to-hover, and ascent-from-hover maneuvers.

Acikmese, A. Bechet↗

Counterrotating prop-fan simulations which feature a relative-motion multiblock grid decomposition enabling arbitrary time-steps

Improvements are presented of a computer algorithm developed for the time-accurate flow analysis of rotating machines. The flow model is a finite volume method utilizing a high-resolution approximate Riemann solver for interface flux definitions. The numerical scheme is a block LU implicit iterative-refinement method which possesses apparent unconditional stability. Multiblock composite gridding is used to orderly partition the field into a specified arrangement of blocks exhibiting varying degrees of similarity. Block-block relative motion is achieved using local grid distortion to reduce grid skewness and accommodate arbitrary time step selection. A general high-order numerical scheme is applied to satisfy the geometric conservation law. An even-blade-count counterrotating unducted fan configuration is chosen for a computational study comparing solutions resulting from altering parameters such as time step size and iteration count. The solutions are compared with measured data.

Janus, J. Mark↗

In Silico Guidance for In Vitro Androgen and Glucocorticoid Receptor ToxCast Assays

Molecular initiating events (MIEs) are key events in adverse outcome pathways (AOPs) that link molecular chemistry to target biology. As they are based in chemistry, these interactions are excellent targets for computational chemistry approaches to in silico modelling. In this work, we aim to link ligand chemical structure to MIEs for androgen receptor (AR) and glucocorticoid receptor (GR) binding using ToxCast data. This has been done using an automated computational algorithm to perform maximal common substructure searches on chemical binders for each target from the ToxCast dataset. The models developed show a high level of accuracy, correctly assigning 87.20% of AR binders and 96.81% of GR binders in a 25% test set using holdout cross-validation. The 2D structural alerts developed can be used as in silico models to predict these MIEs, and as guidance for in vitro ToxCast assays to confirm hits. These models can target such experimental work, reducing the number of assays to be performed to gain required toxicological insight. Development of these models has also allowed some structural alerts to be identified as predictors for agonist or antagonist behavior at the receptor target. This work represents a first step in using computational methods to guide and target experimental approaches.

Allen, Timothy H.↗

On the accuracy of modelling the dynamics of large space structures

Proposed space missions will require large scale, light weight, space based structural systems. Large space structure technology (LSST) systems will have to accommodate (among others): ocean data systems; electronic mail systems; large multibeam antenna systems; and, space based solar power systems. The structures are to be delivered into orbit by the space shuttle. Because of their inherent size, modelling techniques and scaling algorithms must be developed so that system performance can be predicted accurately prior to launch and assembly. When the size and weight-to-area ratio of proposed LSST systems dictate that the entire system be considered flexible, there are two basic modeling methods which can be used. The first is a continuum approach, a mathematical formulation for predicting the motion of a general orbiting flexible body, in which elastic deformations are considered small compared with characteristic body dimensions. This approach is based on an a priori knowledge of the frequencies and shape functions of all modes included within the system model. Alternatively, finite element techniques can be used to model the entire structure as a system of lumped masses connected by a series of (restoring) springs and possibly dampers. In addition, a computational algorithm was developed to evaluate the coefficients of the various coupling terms in the equations of motion as applied to the finite element model of the Hoop/Column.

Diarra, C. M.↗

A three-dimensional Navier-Stokes/Euler code for blunt-body flow computations

The formulation computation method of an improved version of the three-dimensional Navier-Stokes/Euler computation algorithm of Li (1981) for the numerical simulation of blunt-body reentry flows are discussed, and results for five sample problems are presented graphically. The vector notation of the coordinate systems is defined; the governing equations are presented in full; the Jacobian matrices and damping terms of the factorization technique (based on the alternating-direction implicit procedure of Beam and Warming, 1978) are explained; and the capabilities, limitations and proper use of the code are summarized. Examples presented include the equilibrium-flow problem for Shuttle-orbiter reentry at Mach 22 and angle of attack 40.8 deg and the perfect-gas problem of an aerobraking orbital-transfer vehicle with an ellipsoidal/60-deg cone and a toroidal sonic shoulder. The advantages of the improved code in terms of accuracy and computation time are indicated.

Li, C. P.↗

On the accuracy of modelling the dynamics of large space structures

Proposed space missions will require large scale, light weight, space based structural systems. Large space structure technology (LSST) systems will have to accommodate (among others): ocean data systems; electronic mail systems; large multibeam antenna systems; and, space based solar power systems. The structures are to be delivered into orbit by the Space Shuttle. Because of their inherent size, modelling techniques and scaling algorithms must be developed so that system performance can be predicted accurately prior to launch and assembly. When the size and weight-to-area ratio of proposed LSST systems dictate that the entire system be considered flexible, there are two basic modelling methods which can be used. The first is a continuum approach, a mathematical formulation for predicting the motion of a general orbiting flexible body, in which elastic deformations are considered small compared with characteristic body dimensions. This approach is based on an a priori knowledge of the frequencies and shape functions of all modes included within the system model. Alternatively, finite element techniques can be used to model the entire structure as a system of lumped masses connected by a series of (restoring) springs and possibly dampers. In addition, a computational algorithm was developed to evaluate the coefficients of the various coupling terms in the equations of motion as applied to the finite element model of the Hoop/Column.

Diarra, C. M.↗

Tardigrade (NA-22 Quarterly Report)

Tardigrade is an effort to create tunable thermal expansion materials for use in a ruggedized lens housing. This requires new computational algorithms to model and predict thermal performance of meta-materials composed of multiple structured base materials and void-space, along with matching and developing 3D print technology to demonstrate the housing. The project is 24 months into the 36-month plan. We are continuing effort on 3 main technical thrusts: material design algorithm development (transitioning into full 3D design), multi-material additive manufacturing process exploration, and sensor/optics design and engineering. In the last quarter, we have focused on developing the code for 3D Topology Optimization, building data sets for 2D autoencoder training, and finishing lens housing engineering for the microbolometer based test sensor. We are exploring 2 potential multi-material AM technologies, a polymer-based technique in development at LLNL and a metal SLS system produced by Aconity, called the AeroSint deposition head.

36 MATERIALS SCIENCE↗

Fourth Computational Aeroacoustics (CAA) Workshop on Benchmark Problems

This publication contains the proceedings of the Fourth Computational Aeroacoustics (CAA) Workshop on Benchmark Problems. In this workshop, as in previous workshops, the problems were devised to gauge the technological advancement of computational techniques to calculate all aspects of sound generation and propagation in air directly from the fundamental governing equations. A variety of benchmark problems have been previously solved ranging from simple geometries with idealized acoustic conditions to test the accuracy and effectiveness of computational algorithms and numerical boundary conditions; to sound radiation from a duct; to gust interaction with a cascade of airfoils; to the sound generated by a separating, turbulent viscous flow. By solving these and similar problems, workshop participants have shown the technical progress from the basic challenges to accurate CAA calculations to the solution of CAA problems of increasing complexity and difficulty. The fourth CAA workshop emphasized the application of CAA methods to the solution of realistic problems. The workshop was held at the Ohio Aerospace Institute in Cleveland, Ohio, on October 20 to 22, 2003. At that time, workshop participants presented their solutions to problems in one or more of five categories. Their solutions are presented in this proceedings along with the comparisons of their solutions to the benchmark solutions or experimental data. The five categories for the benchmark problems were as follows: Category 1:Basic Methods. The numerical computation of sound is affected by, among other issues, the choice of grid used and by the boundary conditions. Category 2:Complex Geometry. The ability to compute the sound in the presence of complex geometric surfaces is important in practical applications of CAA. Category 3:Sound Generation by Interacting With a Gust. The practical application of CAA for computing noise generated by turbomachinery involves the modeling of the noise source mechanism as a vortical gust interacting with an airfoil. Category 4:Sound Transmission and Radiation. Category 5:Sound Generation in Viscous Problems. Sound is generated under certain conditions by a viscous flow as the flow passes an object or a cavity.

Dahl, Milo D.↗

Tardigrade (Quarterly Report Q1 FY2022)

Tardigrade is an effort to create tunable thermal expansion materials for use in a ruggedized lens housing. This requires new computational algorithms to model and predict thermal performance of meta-materials composed of multiple structured base materials and void-space, along with matching and developing 3D print technology to demonstrate the housing. The project is 27 months into the 36-month plan. We are continuing effort on 3 main technical thrusts: material design algorithm development (transitioning into full 3D design), multi-material additive manufacturing process exploration, and sensor/optics design and engineering. In the last quarter, we have focused on developing the code for 3D Topology Optimization, building data sets for 2D autoencoder training, and finishing lens housing engineering for the microbolometer based test sensor. We are exploring 2 potential multi-material AM technologies, a polymer-based technique in development at LLNL and a metal SLS system produced by Aconity, called the AeroSint deposition head.

36 MATERIALS SCIENCE↗

High Spectral Resolution MODIS Algorithms for Ocean Chlorophyll in Case II Waters

The Case 2 chlorophyll a algorithm is based on a semi-analytical, bio-optical model of remote sensing reflectance, R(sub rs)(lambda), where R(sub rs)(lambda) is defined as the water-leaving radiance, L(sub w)(lambda), divided by the downwelling irradiance just above the sea surface, E(sub d)(lambda,0(+)). The R(sub rs)(lambda) model (Section 3) has two free variables, the absorption coefficient due to phytoplankton at 675 nm, a(sub phi)(675), and the absorption coefficient due to colored dissolved organic matter (CDOM) or gelbstoff at 400 nm, a(sub g)(400). The R(rs) model has several parameters that are fixed or can be specified based on the region and season of the MODIS scene. These control the spectral shapes of the optical constituents of the model. R(sub rs)(lambda(sub i)) values from the MODIS data processing system are placed into the model, the model is inverted, and a(sub phi)(675), a(sub g)(400) (MOD24), and chlorophyll a (MOD21, Chlor_a_3) are computed. Algorithm development is initially focused on tropical, subtropical, and summer temperate environments, and the model is parameterized in Section 4 for three different bio-optical domains: (1) high ratios of photoprotective pigments to chlorophyll and low self-shading, which for brevity, we designate as 'unpackaged'; (2) low ratios and high self-shading, which we designate as 'packaged'; and (3) a transitional or global-average type. These domains can be identified from space by comparing sea-surface temperature to nitrogen-depletion temperatures for each domain (Section 5). Algorithm errors of more than 45% are reduced to errors of less than 30% with this approach, with the greatest effect occurring at the eastern and polar boundaries of the basins. Section 6 provides an expansion of bio-optical domains into high-latitude waters. The 'fully packaged' pigment domain is introduced in this section along with a revised strategy for implementing these variable packaging domains. Chlor_a_3 values derived semi-analytically and Chlor_a_2 values derived empirically using the O Reilly et al. OC3M algorithm from MODIS Terra radiances are compared to field chlorophyll-a concentrations in Sections 7 and 8.

Carder, Kendall L.↗

PPPL Laboratory Directed Research and Development (Project Final Reports, FY2018 - FY2020)

The U.S. Department of Energy’s (DOE) Princeton Plasma Physics Laboratory (PPPL) is a collaborative national center for fusion energy science, basic sciences, and advanced technology. The Laboratory has three major missions: (1) to develop the scientific knowledge and advanced engineering to enable fusion to power the U.S. and the world; (2) to advance the science of nanoscale fabrication for technologies of tomorrow; and (3) to further the development of the scientific understanding of the plasma universe from laboratory to astrophysical scales. PPPL’s Laboratory Directed Research and Development (LDRD) program supports and encourages creativity and innovation and contributes to its long-term viability. New scientific and technical research areas emerge and are nurtured through the program. Furthermore, new capabilities are developed to enable the Laboratory to meet its and DOE’s missions. The program is used to systematically diversify the Laboratory’s programs and mission. In the last few years, the program has started projects in nanomaterial synthesis, microelectronics, advanced x-ray spectroscopy, high-energy-density physics, superconducting magnet technology, machine learning and artificial intelligence, 3D magnetic fields to optimize fusion plasmas, integration of permanent magnets with simple high-field magnets to reduce the cost of producing complex 3D magnetic fields, advanced computational methods for predictive understanding and control of fusion plasma, development of quantum computing algorithms for plasma physics, liquid metal plasma-facing components for fusion reactors, virtual engineering, and plasma-based space propulsion. The program is also the vehicle to recruit and train talented scientists and engineers with the new skills needed to perform the Laboratory’s mission. Many of the new hires through the program go on to become world-class scientists and engineers in their fields. This report provides descriptions and accomplishments of those LDRD projects that were completed during fiscal years 2018 through 2020.

36 MATERIALS SCIENCE↗

Algorithm Determines Wind Speed and Direction from Venturi-Sensor Data

An algorithm computes the velocity of wind from the readings of an instrument like the one described in another Tech Brief. To recapitulate: The sensor has no moving parts and is a compact, rugged means of measuring wind vectors having magnitudes of as much as 300 mph (134 m/s). The sensor includes a Venturi gap bounded by a curved upper and a curved lower surface that are axisymmetric with respect to a vertical axis and mirror-symmetric with respect to a horizontal midplane. One of the curved surfaces is instrumented with multiple ports for measuring dynamic pressures. The sensor also incorporates auxiliary sensors for measuring temperature, relative humidity, and static atmospheric pressure. The design and operation of the sensor are based on the concepts of (1) using Bernoulli's equation (which expresses the relationship among variations of speed, density, and pressure along a streamline) to calculate the speed of the wind from differences among the pressure readings at the various ports; and (2) calculating the direction of the wind from the angular positions of ports selected according to comparisons among their pressure readings. The present algorithm performs these calculations.

Zysko, Jan A.↗

Finite deformation implementation of a mixed-mode single-integral type cohesive zone with reorienting surfaces of separation

To model material ductile failure and crack propagation, cohesive zone elements can be embedded along potential fracture paths in a finite element simulation. When damage criteria are met, elements in the mesh decohere, simulating the formation and propagation of a crack. In this paper, we present a novel computational algorithm based on finite deformation theory, essential to modeling crack initiation and growth in solids undergoing large deformations. This new algorithm was formulated within a Lagrangian frame of reference to extend previous cohesive zone algorithms to include modeling crack growth in finite deformation contexts. The local coordinate system, necessary for defining an embedded cohesive zone, is constructed based upon the current configuration and is updated within the nonlinear iteration process, thereby resulting in the convergence of the solution for a growing crack in a large deformation quasi-static setting. The model’s accuracy was demonstrated by comparing finite element model simulation results with the analytic case of a constant surface separation, as shown in the verification examples. The power and efficacy of the algorithm to capture large deformations during crack growth were then demonstrated with a double cantilever beam example case. It indicates that the model can be applied to a variety of physical circumstances for predicting crack initiation and growth with delamination and fracture.

42 ENGINEERING↗

Antenna analysis using neural networks

Conventional computing schemes have long been used to analyze problems in electromagnetics (EM). The vast majority of EM applications require computationally intensive algorithms involving numerical integration and solutions to large systems of equations. The feasibility of using neural network computing algorithms for antenna analysis is investigated. The ultimate goal is to use a trained neural network algorithm to reduce the computational demands of existing reflector surface error compensation techniques. Neural networks are computational algorithms based on neurobiological systems. Neural nets consist of massively parallel interconnected nonlinear computational elements. They are often employed in pattern recognition and image processing problems. Recently, neural network analysis has been applied in the electromagnetics area for the design of frequency selective surfaces and beam forming networks. The backpropagation training algorithm was employed to simulate classical antenna array synthesis techniques. The Woodward-Lawson (W-L) and Dolph-Chebyshev (D-C) array pattern synthesis techniques were used to train the neural network. The inputs to the network were samples of the desired synthesis pattern. The outputs are the array element excitations required to synthesize the desired pattern. Once trained, the network is used to simulate the W-L or D-C techniques. Various sector patterns and cosecant-type patterns (27 total) generated using W-L synthesis were used to train the network. Desired pattern samples were then fed to the neural network. The outputs of the network were the simulated W-L excitations. A 20 element linear array was used. There were 41 input pattern samples with 40 output excitations (20 real parts, 20 imaginary). A comparison between the simulated and actual W-L techniques is shown for a triangular-shaped pattern. Dolph-Chebyshev is a different class of synthesis technique in that D-C is used for side lobe control as opposed to pattern shaping. The interesting thing about D-C synthesis is that the side lobes have the same amplitude. Five-element arrays were used. Again, 41 pattern samples were used for the input. Nine actual D-C patterns ranging from -10 dB to -30 dB side lobe levels were used to train the network. A comparison between simulated and actual D-C techniques for a pattern with -22 dB side lobe level is shown. The goal for this research was to evaluate the performance of neural network computing with antennas. Future applications will employ the backpropagation training algorithm to drastically reduce the computational complexity involved in performing EM compensation for surface errors in large space reflector antennas.

Smith, William T.↗

Uncertainty in inventories for life cycle assessment: State‐of‐the‐art, challenges, and new technologies

Uncertainty is a critical factor that can hinder the quality and potential applications of life cycle assessment (LCA) results. A prominent source of uncertainty stems from the life cycle inventory (LCI) data. Various methodologies exist to estimate the uncertainty associated with LCI data, primarily based on the widely used structured pedigree matrix approach or the computationally intensive Monte Carlo simulation. This perspective review explores how new technologies (e.g., computational algorithms and data collection methods) from data science and related fields can contribute to identifying, quantifying, and reducing uncertainty in LCI modeling. A brief overview of the sources of uncertainty in LCI modeling and how they are addressed in current LCA practice is provided. Additionally, several new technologies are identified, and the potential benefits of their implementation in reducing uncertainties in LCI modeling are discussed. This perspective review concludes by identifying potential areas that require further development for these technologies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗