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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Improving the five-point bootstrap

We present a new algorithm for the numerical evaluation of five-point conformal blocks in d-dimensions, greatly improving the efficiency of their computation. To do this we use an appropriate ansatz for the blocks as a series expansion in radial coordinates, derive a set of recursion relations for the unknown coefficients in the ansatz, and evaluate the series using a Padé approximant to accelerate its convergence. We then study the 〈σσϵσσ〉 correlator in the 3d critical Ising model by truncating the operator product expansion (OPE) and only including operators with conformal dimension below a cutoff ∆ ⩽ ∆cutoff. We approximate the contributions of the operators above the cutoff by the corresponding contributions in a suitable disconnected five-point correlator. Using this approach, we compute a number of OPE coefficients with greater accuracy than previous methods.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

A bilevel multistage stochastic self-scheduling model with indivisibilities for trading in the continuous intraday electricity market

In this paper, we study the profit maximization problem of a virtual power plant trading in the continuous intraday electricity market. Our virtual power plant model is compatible with renewable, and thermal assets, covering a range of virtual power plants currently participating in energy markets. We model the trading problem as a bilevel multistage stochastic program. The upper level of the problem accounts for the profit maximization of the virtual power plant with explicit modeling of the technical constraints of the operational status of the thermal power plant including minimum start-up and shut-down times, ramp-up and ramp-down rates, and minimum generation level. The upper level also decides which continuous and indivisible (fill-or-kill) orders are submitted to the market. The lower-level problem accounts for the clearing of the continuous intraday market, i.e., matching of buy and sell orders. Because of the presence of fill-or-kill orders, the lower-level problem is mixed-integer, which prevents its direct conversion to a single-level problem using duality. In order to solve this challenging problem, we develop a convex-hull extended formulation for the lower-level problem, apply duality theory to obtain a single-level stochastic equivalent formulation, and employ McCormick envelopes to turn the problem into a multistage stochastic mixed-integer linear problem, which we solve using the stochastic dual dynamic integer programming algorithm. We conduct numerical experiments and analyze the optimal trading behavior of a virtual power plant trading in an ideal continuous market without arbitrage.

Bilevel multistage stochastic programming problem↗
DOE OSTI2024

On the role of Battery Energy Storage Systems in the day-ahead Contingency-Constrained Unit Commitment problem under renewable penetration

The integration of variable Renewable Energy Sources (vRES) to alleviate greenhouse gas emissions has introduced significant challenges for power systems operations. These challenges include high levels of uncertainty due to the intermittence associated with vRES and therefore impose the need to devise a reliable and cost-effective day-ahead unit commitment and power and reserves scheduling for real-time operations. Also, this increasing penetration of vRES requires higher ramping capabilities from units originally designed for other purposes (e.g., base-load generation), which might be exacerbated during contingency states. Hence, in this work, we propose a methodology to address the day-ahead Contingency-Constrained Unit Commitment (CCUC) problem that leverages the participation of Battery Energy Storage Systems (BESSs) to address load-following and post-contingency management, therefore alleviating the ramping burden on conventional thermal generators. To do so, we formulate a three-level optimization problem that represents the decision-making process of obtaining the least-cost commitment, generation and reserves scheduling, while restricting the Conditional Value-at-Risk (CVaR) of the system imbalance at real-time operations to user-defined tolerance levels. In addition, we devise a computationally efficient solution approach for the proposed problem based on the Column-and Constraint Generation (CCG) algorithmic framework. Two numerical experiments are conducted to empirically illustrate the benefits of the proposed methodology. Key results indicate a reduction in real-time ramping needs and a better usage of the system resources, with a reduction in the overall system commitment levels and reserve scheduling costs when compared to a benchmark case in which storage is not available.

Moreira, Alexandre↗
DOE OSTI2025

Quantum Electrodynamics Coupled-Cluster at Scale: High-Performance Implementation for Complex Systems

Coupled-cluster theory (CC) is a highly accurate and versatile method for simulating complex interactions within quantum systems. The extension of CC theory to model mixed electron-photon processes with quantum electrodynamics (QED) has improved our capability to predict cavity-modified chemistry, a field where photons are used as cost-effective and eco-friendly alternatives to catalyze/inhibit chemical reactions. However, calculations with CC methods, even without incorporating QED effects, are often prohibitively expensive. Simulations of larger systems require scalable infrastructures that exist for traditional CC methods but not for QED-CC methods. As such, we present a GPU-enabled, high-performance, open-source implementation of the quantum electrodynamics coupled-cluster method with single and double excitations (QED-CCSD) within the ExaChem quantum chemistry software package. ExaChem relies on the Tensor Algebra for Many-body Methods (TAMM) infrastructure: a parallel heterogeneous tensor library designed to achieve scalable performance on modern heterogeneous supercomputing platforms. Furthermore, we discuss theoretical foundations, algorithmic details, and numerical benchmarks to showcase the larger systems that ExaChem can simulate and how the integration of photonic degrees-of-freedom alters their ground-state properties.

Basis sets↗
DOE OSTI2024

Grover-QAOA for 3-SAT: quadratic speedup, fair-sampling, and parameter clustering

Abstract The SAT problem is a prototypical NP-complete problem of fundamental importance in computational complexity theory with many applications in science and engineering; as such, it has long served as an essential benchmark for classical and quantum algorithms. This study shows numerical evidence for a quadratic speedup of the Grover Quantum Approximate Optimization Algorithm (G-QAOA) over random sampling for finding all solutions to 3-SAT (All-SAT) and Max-SAT problems. G-QAOA is less resource-intensive and more adaptable for these problems than Grover’s algorithm, and it surpasses conventional QAOA in its ability to sample all solutions. We show these benefits by classical simulations of many-round G-QAOA on thousands of random 3-SAT instances. We also observe G-QAOA advantages on the IonQ Aria quantum computer for small instances, finding that current hardware suffices to determine and sample all solutions. Interestingly, a single-angle-pair constraint that uses the same pair of angles at each G-QAOA round greatly reduces the classical computational overhead of optimizing the G-QAOA angles while preserving its quadratic speedup. We also find parameter clustering of the angles. The single-angle-pair protocol and parameter clustering significantly reduce obstacles to classical optimization of the G-QAOA angles.

Zhang, Zewen (ORCID:000000032258613X)↗
DOE OSTI2024

New approach to QCD final-state evolution in processes with massive partons

We present an algorithm for massive parton evolution which is based on the differentially accurate simulation of soft-gluon radiation by means of a nontrivial azimuthal angle dependence of the splitting functions. The kinematics mapping is chosen such as to reflect the symmetry of the final state in soft-gluon radiation and collinear splitting processes. We compute the counterterms needed for a fully differential next-to-leading order matching and discuss the analytic structure of the parton shower in the next-to-leading logarithmic limit. We implement the new algorithm in the numerical code Alaric and present a first comparison to experimental data. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Universal energy-speed-accuracy trade-offs in driven nonequilibrium systems

The connection between measure theoretic optimal transport and dissipative nonequilibrium dynamics provides a language for quantifying nonequilibrium control costs, leading to a collection of thermodynamic speed limits, which rely on the assumption that the target probability distribution is perfectly realized. This is almost never the case in experiments or numerical simulations, so here we address the situation in which the external controller is imperfect. We obtain a lower bound for the dissipated work in generic nonequilibrium control problems that (1) is asymptotically tight and (2) matches the thermodynamic speed limit in the case of optimal driving. Along with analytically solvable examples, we refine this imperfect driving notion to systems in which the controlled degrees of freedom are slow relative to the nonequilibrium relaxation rate, and identify independent energy contributions from fast and slow degrees of freedom. Furthermore, we develop a strategy for optimizing minimally dissipative protocols based on optimal transport flow matching, a generative machine learning technique. Furthermore, this latter approach ensures the scalability of both the theoretical and computational framework we put forth. Crucially, we demonstrate that we can compute the terms in our bound numerically using efficient algorithms from the computational optimal transport literature and that the protocols we learn saturate the bound.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Robust A-Optimal Experimental Design for Sensor Placement in Bayesian Linear Inverse Problems

Optimal design of experiments for Bayesian inverse problems has recently gained wide popularity and attracted much attention, especially in the computational science and Bayesian inversion communities. An optimal design maximizes a predefined utility function that is formulated in terms of the elements of an inverse problem, an example being optimal sensor placement for parameter identification. The state-of-the-art algorithmic approaches following this simple formulation generally overlook misspecification of the elements of the inverse problem, such as the prior or the measurement uncertainties. This work presents an efficient algorithmic approach for designing optimal experimental design schemes for Bayesian linear inverse problems such that the optimal design is robust to misspecification of elements of the inverse problem. Specifically, we consider a worst-case scenario approach for the uncertain or misspecified parameters, formulate robust objectives, and propose an algorithmic approach for optimizing such objectives. Furthermore, both relaxation and stochastic solution approaches are discussed with detailed analysis and insight into the interpretation of the problem and the proposed algorithmic approach. Extensive numerical experiments to validate and analyze the proposed approach are carried out for sensor placement in a parameter identification problem.

Bayesian inverse problems↗
NASA NTRS1972

Space shuttle guidance, navigation and control equation document no. 4: Precision state and filter weighting matrix extrapolation

The Precision State and Filter Weighting Matrix Extrapolation Routine is described which provides the capability to extrapolate any spacecraft geocentric state vector either backwards or forwards in time through a force field consisting of the earth's primary central-force gravitational attraction and a superimposed perturbing acceleration. The routine also provides the capability of extrapolating the filter-weighting matrix along the precision trajectory. This matrix is a square root form of the error covariance matrix and contains statistical information relative to the accuracies of the state vectors and certain other optionally estimated quantities. The routine is a cooled algorithm for the numerical solution of modified forms of the basic differential equations which are satisfied by the geocentric state vector of the spacecraft's center of mass and by the filter-weighting matrix.

Robertson, W. M.↗
NASA NTRS1972

Precision state and filter weighting matrix extrapolation, revision 3

The matrix extrapolation routine presented is a coded algorithm for the numerical solution of modified forms of the basic differential equations which are satisfied by the geocentric state vector of a spacecraft's center of mass and by the filter-weighting matrix. The equations are described in detail and the various input and output variables designated. The capability is thus established to extrapolate any spacecraft's geocentric state vector, either backwards or forwards in time, through a force field consisting of the earth's primary central-force gravitational attraction, and a superimposed perturbing acceleration.

Robertson, W. M.↗
NASA NTRS1974

Satellite-tracking and earth-dynamics research programs

Observations and research progress of the Smithsonian Astrophysical Observatory are reported. Satellite tracking networks (ground stations) are discussed and equipment (Baker-Nunn cameras) used to observe the satellites is described. The improvement of the accuracy of a laser ranging system of the ground stations is discussed. Also, research efforts in satellite geodesy (tides, gravity anomalies, plate tectonics) is discussed. The use of data processing for geophysical data is examined, and a data base for the Earth and Ocean Physics Applications Program is proposed. Analytical models of the earth's motion (computerized simulation) are described and the computation (numerical integration and algorithms) of satellite orbits affected by the earth's albedo, using computer techniques, is also considered. Research efforts in the study of the atmosphere are examined (the effect of drag on satellite motion), and models of the atmosphere based on satellite data are described.

Source record↗
NASA NTRS1976

Four-dimensional guidance problem with control delays

This paper, assuming steady wind and zero sideslip, presents a discrete-time mathematical model to obtain a control law and three-dimensional flight path to guide an aircraft in a given time from a given initial state (position, velocity and heading) to a prescribed final state subject to the constraints on airspeed acceleration, and pitch and bank angles of the aircraft. For ease in implementing the control law, the control inputs are assumed to be delayed and are applied in a sequential fashion. The guidance problem is formulated as a discrete nonlinear optimal control problem with time delays in dynamics and a cost functional of Bolza form. With a quadratic penalty function to handle terminal constraints on velocity and heading, a solution technique to the control problem based on conjugate gradient algorithm is investigated. Numerical examples are presented to illustrate the applicability of this approach to solution of a terminal area guidance problem in an automated air traffic control environment.

Nagarajan, N.↗
NASA NTRS1976

Additional comments on 'Multistage least-squares parameter estimation'

The purpose of this correspondence is to call attention to other solutions to the problem addressed in the above paper, that of adding or deleting parameters or measurements from a given linear model. The solution algorithms proposed in the article are numerically ill-conditioned and are less efficient, in terms of both computational and storage requirements, than the methods described here. Several numerically stable, compact, flexible, and efficient algorithms for analyzing the parameter estimation problem are described and others are referenced.

Bierman, G. J.↗
NASA NTRS1979

Magnetometer bias determination and attitude determination for near-earth spacecraft

A simple linear-regression algorithm is used to determine simultaneously magnetometer biases, misalignments, and scale factor corrections, as well as the dependence of the measured magnetic field on magnetic control systems. This algorithm has been applied to data from the Seasat-1 and the Atmosphere Explorer Mission-1/Heat Capacity Mapping Mission (AEM-1/HCMM) spacecraft. Results show that complete inflight calibration as described here can improve significantly the accuracy of attitude solutions obtained from magnetometer measurements. This report discusses the difficulties involved in obtaining attitude information from three-axis magnetometers, briefly derives the calibration algorithm, and presents numerical results for the Seasat-1 and AEM-1/HCMM spacecraft.

Lerner, G. M.↗
NASA NTRS1981

Calculation of two-dimensional inlet flow fields by an implicit method including viscous effects: User's manual

Inlet flow fields for airbreathing missiles are calculated by the adaptation of a two dimensional computational method developed for the flow around airfoils. A supersonic free stream is assumed to allow the forebody calculation to be uncoupled from the inlet calculation. The inlet calculation employs an implicit, time marching finite difference procedure to solve the thin layer Navier-Stokes equations formulated in body fitted coordinates. The mathematical formulation of the problem and the solution algorithm are given. Numerical stability and accuracy as well as the initial and boundary conditions used are discussed. Instructions for program use and operation along with the overall program logic are also given.

Biringen, S.↗
NASA NTRS1981

Studies in astronomical time series analysis. I - Modeling random processes in the time domain

Several random process models in the time domain are defined and discussed. Attention is given to the moving average model, the autoregressive model, and relationships between and combinations of these models. Consideration is then given to methods for investigating pulse structure, procedures of model construction, computational methods, and numerical experiments. A FORTRAN algorithm of time series analysis has been developed which is relatively stable numerically. Results of test cases are given to study the effect of adding noise and of different distributions for the pulse amplitudes. A preliminary analysis of the light curve of the quasar 3C 272 is considered as an example.

Scargle, J. D.↗
NASA NTRS1982

Comment on 'Time-optimal orbit transfer trajectory for solar sail spacecraft'

An analytic proof is presented to show that the orbital transfer times of an earth-to-Mars solar-sail propelled spacecraft trajectory as calculated by Jayaraman (1980) are incorrect. In particular, different boundary conditions are defined, which indicate that a minimization of the Hamiltonian, which Jayaraman used, can yield the wrong stationary solution. Transfer times are calculated using a neighboring extremal algorithm based on numerical differentiation in conjunction with Krogh's variable order, variable step size integrator, resulting in a transfer time of 322 days at 2 mm/sec-sq, with endpoint restraints satisfied to within 1/1 billion. Finally, it is concluded that minimization of flight time is secondary in importance to maximization of delivered payload and minimization of overall mission cost and risk.

Wood, L. J.↗