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DOE OSTI2024

SPECTER: efficient evaluation of the spectral EMD

The Energy Mover’s Distance (EMD) has seen use in collider physics as a metric between events and as a geometric method of defining infrared and collinear safe observables. Recently, the Spectral Energy Mover’s Distance (SEMD) has been proposed as a more analytically tractable alternative to the EMD. In this work, we obtain a closed-form expression for the Riemannian-like p = 2 SEMD metric between events, eliminating the need to numerically solve an optimal transport problem. Additionally, we show how the SEMD can be used to define event and jet shape observables by minimizing the distance between events and parameterized energy flows (similar to the EMD), and we obtain closed-form expressions for several of these observables. We also present the Specter framework, an efficient and highly parallelized implementation of the SEMD metric and SEMD-derived shape observables as an analogue of the previously-introduced Shaper for EMD-based computations. We demonstrate that computing the SEMD with Specter can be up to a thousand times faster than computing the EMD with standard optimal transport libraries.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2015

Holiday in Lights: Tracking Cultural Patterns in Demand for Energy Services

Successful climate change mitigation will involve not only technological innovation, but also innovation in how we understand the societal and individual behaviors that shape the demand for energy services. Traditionally, individual energy behaviors have been described as a function of utility optimization and behavioral economics, with price restructuring as the dominant policy lever. Previous research at the macro-level has identified economic activity, power generation and technology, and economic role as significant factors that shape energy use. However, most demand models lack basic contextual information on how dominant social phenomenon, the changing demographics of cities, and the sociocultural setting within which people operate, affect energy decisions and use patterns. Here we use high-quality Suomi-NPP VIIRS nighttime environmental products to: (1) observe aggregate human behavior through variations in energy service demand patterns during the Christmas and New Year's season and the Holy Month of Ramadan and (2) demonstrate that patterns in energy behaviors closely track sociocultural boundaries at the country, city, and district level. These findings indicate that energy decision making and demand is a sociocultural process as well as an economic process, often involving a combination of individual price-based incentives and societal-level factors. While nighttime satellite imagery has been used to map regional energy infrastructure distribution, tracking daily dynamic lighting demand at three major scales of urbanization is novel. This methodology can enrich research on the relative importance of drivers of energy demand and conservation behaviors at fine scales. Our initial results demonstrate the importance of seating energy demand frameworks in a social context.

VIIRS night sky↗

NASA NTRS1973

Optimization of multiple target electric propulsion trajectories.

Development of the mathematical basis for the generation of multiple target low-thrust trajectories. The unique trajectory shaping capabilities of electric propulsion make it ideally suited for modifying the path of the spacecraft to effect close encounters of selected asteroids with only slight penalties in performance. Each intermediate encounter with an asteroid involves the optimization of four parameters, the encounter time and the three components of the relative velocity at encounter. A second type of mission amenable to this analysis is that of asteroid or comet sample return missions. For missions of this type, both launch date and division of departure and return flight times are capable of being optimized. Use is made of the traditional calculus of variations to derive the necessary conditions that must be satisfied for both types of missions. In addition, examples are presented of both a Comet Encke rendezvous mission with multiple encounters of the asteroids Aschera and Alekto and also a sample return mission from the asteroid Flora.

Sauer, C. G., Jr.↗

DOE OSTI2026

Routes to high-performance operation in Wendelstein 7-X: turbulence suppression with shaping of the density profile

Steep density gradients generally lead to improved plasma performance in the neoclassically optimized stellarator W7-X. This is evident in the global energy confinement time as well as in the ion temperature and can be explained by a strong reduction of the ion temperature gradient turbulence. Such conditions can experimentally be realized by several methods: injection of cryogenic hydrogen pellets, appropriate combination of neutral beam and electron cyclotron resonance heating (ECRH) and, in some cases, with low power of ECRH after preconditioning of the first wall. The duration of the improved phases is determined by the ability to sustain the steep density gradient, by technical limitations of the involved systems and, eventually, by the plasma stability. This paper gives an overview of relevant experimental results and presents example discharges where the improved confinement conditions could be extended to multiple seconds: up to 4 s using neutral beam injection and from 14 to 40 s with steady state pellet injection. In these plasmas the turbulent thermal diffusivity is reduced by a factor of 3 to 4 in a broad radial range, which allows high ion temperatures of up to 3 keV at the densities of about 1.5 • 10 20 m −3 .

high performance plasma↗

DOE OSTI2022

Invertible Neural Networks for Aerodynamic Design of Wind Turbine Blades

The state-of-the-practice methods for aerodynamic design of wind turbine blads use linearized blade element momentum theory (BEM) to optimize the twist and chord profiles from a pre-selected set of 2D airfoil shapes. In this work, we apply invertible neural network (INN) tools to enable the rapid inverse aerodynamic design of wind turbine blades including component airfoils. The INN is trained on data obtained through the use of robust automated mesh generation and the HAMSTR computational fluid dynamics solver with advanced turbulence and transition models validated for turbine applications. Our design technique is a significant improvement over the state-of-the-practice linearized blade element momentum (BEM) techniques in capturing 3D nonlinear aerodynamic effects that are critical for optimal design of the rotors. This is made possible by developing sparse, invertible neural networks (INNs) for inverse design and optimization that realize a 100x cost reduction compared to adjoint-based computational fluid dynamics (CFD) approaches, while enabling increased robustness of the final design. We demonstrate the INN tool for design of a section of the NREL 5-MW blade. All generated shapes satisfy the desired aerodynamic characteristics, demonstrating the success of the INN approach for inverse design of wind turbine blades.

aerodynamic design↗

NASA NTRS1991

Sensitivity of Space Station Alpha Joint robust controller to structural modal parameter variations

The baseline design of the photovoltaic-array sun-tracking control system is presented with special attention given to the optimization of design variables related to stability and performance. The procedures utilized to attenuate control/structure interaction are described, and controller sensitivity to variations in structural modal parameters is examined. Constrained optimization techniques determine the stability margin and tracking capability, which are then tested for sensitivity to variations in natural frequency, mode-shape amplitudes, and modal-damping ratios. The effect of variations in the modal parameters of the dominant modes on performance indicators is also examined to optimize tracking-performance responsiveness and satisfy the design requirements. It is concluded that accurate on-orbit modal data are necessary to make the reoptimization procedure effective in improving the performance of the control system.

Kumar, Renjith R.↗

DOE OSTI2022

Combining PCA and nonlinear fitting of peak models to re-evaluate C 1s XPS spectrum of cellulose

Cellulose is an example of a material that responds to XPS by the creation of new chemistry not present in the as-received sample. While improvements in instrumentation may be seen in general as beneficial to surface science, recent studies have shown that the consequences for some materials are detrimental. Here, in this work, these problems are illustrated through an analysis of cellulose spectra obtained during a degradation study. C 1s spectra are decomposed into two well-formed component curves that are open to chemical interpretation. In particular, a component-curve representative of pure cellulose is obtained as well as a second component curve that implies cellulose is degraded through the creation of carbon chemistry involving C—O, C$=$O and O—C$=$O. Since cellulose is a crystalline material, formed through the alignment of molecules under the influence of hydrogen bonds, the analysis and findings presented in this paper are relevant to any material analyzed by XPS whose properties are dependent on hydrogen bonds. The analysis techniques are based on an informed vectorial approach, which extracts directly from data spectral shapes that are used to monitor sample degradation via linear least squares optimization. Related mathematics of Principal Component Analysis and linear analysis are presented.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Computational and Experimental Evaluation of Peroxide Oxidants for Amine-Peroxide Redox Polymerization

Amine–peroxide redox polymerization (APRP) is the prevalent method for producing radical-based polymers in the many industrial and medical applications where light or heat activation is impractical. We recently developed a detailed description of the APRP initiation process through a combined computational and experimental effort to show that APRP proceeds through SN2 attack by the amine on the peroxide, followed by the rate-determining homolysis of the resulting intermediate. Using this new mechanistic understanding, a variety of peroxides were computationally predicted to initiate APRP with fast kinetics. In particular, the rate of APRP initiation can be improved by radical and anion stabilization through increased p-electron conjugation or by increasing the electrophilicity of the peroxy bond through the addition of electron-withdrawing groups. On the other hand, the addition of electron-donating groups lowered the initiation rate. These design principles enabled the computational prediction of several new peroxides that exhibited improved initiation rates over the commonly used benzoyl peroxide. For example, the addition of nitro groups (NO2) to the para positions of benzoyl peroxide resulted in a theoretical radical generation rate of 1.9 × 10–9 s–1, which is ~150 times faster than the 1.3 × 10–11 s–1 radical generation rate observed with unsubstituted benzoyl peroxide. These accelerated kinetics enabled the development of a redox-based direct-writing process that exploited the extremely rapid reactivity of an optimized redox pair with a custom inkjet printer, capable of printing custom shapes from polymerizing resins without heat or light. Furthermore, the application of more rapid APRP kinetics could enable the acceleration of existing industrial processes, make new industrial manufacturing methods possible, and improve APRP compatibility with biomedical applications through reduced initiator concentrations that still produce rapid polymerization rates.

functional polymers↗

DOE OSTI2026

Architecting the Third Dimension of Electrochemical Energy Storage

Three-dimensional (3D) architectural design has emerged as a powerful strategy to push electrochemical energy storage (EES) devices beyond the intrinsic limitations of conventional two-dimensional (2D) electrodes. While planar architectures enable high packing density and mature manufacturing, they suffer from limited ion transport and low active-material loading. In contrast, 3D architectures introduce low-tortuosity networks and high surface area that enhance charge and mass transport while supporting thick, high mass-loading electrodes. However, their practicality remains hindered by challenges in volumetric density, mechanical stability, and large-scale manufacturability. Here, this Perspective examines the key evaluation and design principles that govern 3D device performance. We discuss the fundamental trade-offs between porosity, volumetric density, and mechanical stability that shape 3D design and highlight emerging strategies for integrating materials engineering, structural optimization, device integration, computational modeling, and scalable manufacturing. By aligning structural functionality with manufacturability, 3D architectures can evolve from laboratory prototypes to commercially viable energy storage systems.

25 ENERGY STORAGE↗

DOE OSTI2024

The long road to ignition: An eyewitness account

This paper reviews the many twists and turns in the long journey that culminated in ignition in late 2022 using the laser heated indirect-drive approach to imploding DT filled targets at the National Ignition Facility (NIF), located at the Lawrence Livermore National Laboratory (LLNL). We describe the early origins of the Laser Program at LLNL and key developments such as the paradigm shifting birth of high energy density physics (HEDP) studies with lasers, changes in choice of laser wavelength, and the development of key diagnostics and computer codes. Fulfilling the requirements of the multi-faceted Nova Technical Contract was a necessary condition for the approval of the NIF, but more importantly, the end of the Cold War and the cessation of nuclear testing were key catalysts in that approval, along with the ready-and-waiting field of HEDP. The inherent flexibility of the field of laser driven inertial confinement fusion played a fundamental role in achieving success at the NIF. We describe how the ultimately successful ignition target design evolved from the original “point design” target, through the lessons of experiment. All key aspects of that original design changed: The capsule's materials and size were changed; the hohlraum's materials, size, laser entrance hole size, and gas fills were also all changed, as were the laser pulse shapes that go along with all those changes. The philosophy to globally optimize performance for stability (by raising the adiabat and thus lowering the implosion convergence) was also key, as was progress in target fabrication, and in increasing NIF's energy output. The persistence of the research staff and the steadfast backing of our supporters were also necessary elements in this success. We gratefully acknowledge seven decades of researcher endeavors and four decades of the dedicated efforts of many hundreds of personnel across the globe who have participated in NIF construction, operation, target fabrication, diagnostic, and theoretical advances that have culminated in ignition.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Increasing the power of weak lensing data with multipole-based intrinsic alignment estimators

ABSTRACT It has long been known that galaxy shapes align coherently with the large-scale density field. Characterizing this effect is essential to interpreting measurements of weak gravitational lensing, the deflection of light from distant galaxies by matter overdensities along the line of sight, as it also produces coherent galaxy alignments that we wish to interpret in terms of a cosmological model. Existing direct measurements of intrinsic alignments using galaxy samples with high-quality shape and redshift measurements typically use well-understood but sub-optimal projected estimators, which do not make good use of the information in the data when comparing those estimators to theoretical models. We demonstrate a more optimal estimator, based on a multipole expansion of the correlation functions or power spectra, for direct measurements of galaxy intrinsic alignments. We show that even using the lowest order multipole alone increases the significance of inferred model parameters using simulated and real data, without any additional modelling complexity. We apply this estimator to measurements of parameters of the non-linear alignment model using data from the Sloan Digital Sky survey, demonstrating consistent results with a factor of ∼2 greater precision in parameter fits to intrinsic alignments models. This result is functionally equivalent to quadrupling the survey area, but without the attendant costs – thereby demonstrating the value in using this new estimator in current and future intrinsic alignments measurements using spectroscopic galaxy samples.

Astronomy & Astrophysics↗

DOE OSTI2023

Combined Dimensional and Topology Optimization of Synchronous Machine Rotors Using a Material Density Interpolation Method

This article presents a magneto-structural combined dimensional and topology optimization technique for interior permanent magnet synchronous machine (IPMSM) and wound field synchronous machine (WFSM) rotors. Dimensional changes to the permanent magnet (PM) and rotor winding location or size are accomplished by interpolating or projecting a smoothed Heaviside rectangular function representing the presence of PM material onto the IPMSM rotor design domain mesh, whereas the presence of copper material for WFSM rotor is interpolated in the same manner. A density based Solid Isotropic Material with Penalization (SIMP) topology optimization approach is then used to vary the presence of electrical steel in mesh elements to form flux barriers around the PM. The proposed method enforces a defined shape for the PM without requiring the mesh in the design domain to be deformed. Four examples are presented to demonstrate the technique: Two flat bar IPMSM, one V-shaped IPMSM, and a WFSM. Here, a comparative study is performed on one of the flat bar IPMSMs using Metamodel of Optimal Prognosis (MOP) based method.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS1987

Navier Stokes solution of the flowfield over ice accretion shapes

The numerical simulation of flow about ice accretion shapes has been accomplished by solving the Navier-Stokes equations using MacCormack's explicit finite difference scheme. The computations were performed on a CRAY-XMP computer. The influence of turbulence is taken into account by means of an algebraic eddy-viscosity model. In order to optimize the grid spacing and to achieve near orthogonality at the surface of the complex ice shapes, a hyperbolic grid generation scheme is utilized. Particular attention is given to the heat transfer process for which good agreement between the numerical and experimental results is achieved. In addition, liquid water droplet trajectories are coupled within the flowfield along with the resulting collection efficiencies using a parabolized Navier-Stokes formulation.

Scott, J. N.↗

NASA NTRS1994

Interface Shape and Convection During Solidification and Melting of Succinonitrile

An experimental study was conducted of the crystal growth of succinonitrile during solidification, melting, and no-growth conditions using a horizontal Bridgman furnace and square glass ampoule. For use as input boundary conditions to numerical codes, thermal profiles on the outside of the ampoule at five locations around its periphery were measured along the ampoule's length. Temperatures inside the ampoule were also measured. The shapes of the s/l interface in various two dimensional planes were quantitatively determined. Though interfaces were nondendritic and noncellular, they were not flat, but were highly curved and symmetric in only one unique longitudinal y-z plane (at x=O). The shapes of the interface were dominated by the primary longitudinal flow cell characteristic of shallow cavity flow in horizontal Bridgman; this flow cell was driven by the imposed furnace temperature gradient and caused a 'radical' thermal gradient such that the upper half of the ampoule was hotter than the bottom half. We believe that due to the strong convection, the release of latent heat does not significantly influence the thermal conditions near the interface. We hope that the interface shape and thermal data presented in this paper can be used to optimize crystal growth processes and validate numerical models.

Degroh, Henry C., III↗

NASA NTRS2006

Modeling and Correcting the Time-Dependent ACS PSF

The ability to accurately measure the shapes of faint objects in images taken with the Advanced Camera for Surveys (ACS) on the Hubble Space Telescope (HST) depends upon detailed knowledge of the Point Spread Function (PSF). We show that thermal fluctuations cause the PSF of the ACS Wide Field Camera (WFC) to vary over time. We describe a modified version of the TinyTim PSF modeling software to create artificial grids of stars across the ACS field of view at a range of telescope focus values. These models closely resemble the stars in real ACS images. Using 10 bright stars in a real image, we have been able to measure HST s apparent focus at the time of the exposure. TinyTim can then be used to model the PSF at any position on the ACS field of view. This obviates the need for images of dense stellar fields at different focus values, or interpolation between the few observed stars. We show that residual differences between our TinyTim models and real data are likely due to the effects of Charge Transfer Efficiency (CTE) degradation. Furthermore, we discuss stochastic noise that is added to the shape of point sources when distortion is removed, and we present MultiDrizzle parameters that are optimal for weak lensing science. Specifically, we find that reducing the MultiDrizzle output pixel scale and choosing a Gaussian kernel significantly stabilizes the resulting PSF after image combination, while still eliminating cosmic rays/bad pixels, and correcting the large geometric distortion in the ACS. We discuss future plans, which include more detailed study of the effects of CTE degradation on object shapes and releasing our TinyTim models to the astronomical community.

Rhodes, Jason↗

NASA NTRS2015

Fairing Separation Analysis Using SepTOOL

This document describes the relevant equations programmed in spreadsheet software, SepTOOL, developed by ZIN Technologies, Inc. (ZIN) to determine the separation clearance between a launch vehicle payload fairing and remaining stages. The software uses closed form rigid body dynamic solutions of the vehicle in combination with flexible body dynamics of the fairing, which is obtained from flexible body dynamic analysis or from test data, and superimposes the two results to obtain minimum separation clearance for any given set of flight trajectory conditions. Using closed form solutions allows SepTOOL to perform separation calculations several orders of magnitude faster compared to numerical methods which allows users to perform real time parameter studies. Moreover, SepTOOL can optimize vehicle performance to minimize separation clearance. This tool can evaluate various shapes and sizes of fairings along with different vehicle configurations and trajectories. These geometries and parameters are inputted in a user friendly interface. Although the software was specifically developed for evaluating the separation clearance of launch vehicle payload fairings, separation dynamics of other launch vehicle components can be evaluated provided that aerodynamic loads acting on the vehicle during the separation event are negligible. This document describes the development of SepTOOL providing analytical procedure and theoretical equations whose implementation of these equations is not disclosed. Realistic examples are presented, and the results are verified with ADAMS (MSC Software Corporation) simulations. It should be noted that SepTOOL is a preliminary separation clearance assessment software for payload fairings and should not be used for final clearance analysis.

fairings↗

NASA NTRS2021

Hot Isostatic Pressing for Reduction of Defects in Additively Manufactured Inconel-718 Preliminary Simulation Approach and Results

Selective laser melting (SLM) of Inconel-718 (IN718) is a promising advanced manufacturing technology; however, challenges exist for fracture-critical parts where pores induced during the manufacturing process reduce fatigue life of the material. Hot isostatic pressing (HIP) is a common post processing technique used to reduce the part porosity by exposing parts to high temperature and pressures. Pore closure depends on the pore shape, trapped gas, and HIP parameters, and the process can only be optimized by understanding the effect of these variables. An analysis capability is described to better understand the conditions necessary for pore closure, and the effect of several variables on porosity are explored and compared to a baseline case. The importance of valid material response models is identified as a significant factor in model accuracy; especially the creep material response model which, in the baseline case, predicts that creep strain accounts for 87.7% of the total strain at the conclusion of the HIP cycle. Lessons learned are described, in addition to future work including model validation.

Joshua M Fody↗

NASA NTRS1988

Optimal location of actuators for correcting distortions due to manufacturing errors in large truss structures

A continuum approximation to the calculation of the statistical properties of the corrected shape of a beam truss is presented, and results of a comparison with the exact statistical analysis were found to be very good. In addition, the position of the actuators was optimized to minimize the weighted rms of the distortion using the continuum analysis. The optimal design is shown to be 13.6 percent better than a uniform design for a parabolic weighting function. It was also found that actuators located on the beam face elements were more effective than actuators located on the diagonal elements.

Burdisso, R.↗