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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Advanced System Thermal Fluids Solver Development for SAM

This work summarizes a feasibility study on testing numerical algorithms that are suitable and efficient for advanced system analysis code development under the mutli-physics framework, MOOSE. The key is the implementation of a high-order one-dimensional staggered-grid finite volume method (SG-FVM), and its direct interaction with the linear/nonlinear solver, PETSc. Leveraging the existing capabilities of the SAM code, significant code coverages were established in the finite volume method code. This in turn allows for a suite of test problems with different problem sizes and levels of complexity to be used to quantify the performance improvement of the finite volume method code. As evidently shown in this study, the implemented SG-FVM demonstrated superior performance improvement against a direct finite element method implementation through MOOSE for the wide range of selected problems. On two computer systems, the speedup was observed to be significant, with at least one order of magnitude of solving time reduction. In addition, for a complex reactor model, transient simulation was performed using the finite volume method code, the results of which agree very well with the reference results from the finite element method code. Overall, this study demonstrates a successful feasibility study on the proposed numerical algorithms and software structure to support advanced system analysis tool development. In this work, short-term priority development and testing items were identified, and long-term code adoption and integration plans were made for the eventual deployment of the finite volume method in the SAM code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Construction of approximate invariants for non-integrable Hamiltonian systems

We present a method to construct high-order polynomial approximate invariants (AI) for non integrable Hamiltonian dynamical systems, and apply it to a modern ring-based particle accelerator. Taking advantage of a special property of one-turn transformation maps in the form of a square matrix, AIs can be constructed order-by-order iteratively. Evaluating AI with simulation data, we observe that AI’s fluctuation is actually a measure of chaos. Through minimizing the fluctuations, the stable region of long-term motions, i.e., the dynamic aperture of the accelerator, could be enlarged.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Addendum to SAND2023-09604 Xyce lumped-element transmission line model verification to support Empire-Cable cable SGEMP analyses

This report supplements the Verification of Empire-Cable SAND report by expanding on the use of Xyce to simulate the coupling to a transmission line cable model. While Empire-Cable solves its governing equations on a high-order, finite-element mesh with an an implicit-in-time formulation, Xyce must use a first order graph for the circuit and explicit-in-time approach to be compatible with non-linear electrical device models. Thus, given the different solution methodologies in Xyce as compared to Empire-Cable, the convergence rates are expected to be different but the overall quality of the solution should be the same. The original four canonical problems studied in the Empire-Cable verification report are replicated here running in Xyce using transmission line modeling parameters from the verification report. Overall, agreement between the codes is excellent with Xyce’s convergence rates being limited mostly to first order due to the circuit network approximation of a transmission line being a first order approximation.

42 ENGINEERING↗
DOE OSTI2025

Explicit block encodings of boundary value problems for many-body elliptic operators

Simulation of physical systems is one of the most promising use cases of future digital quantum computers. In this work we systematically analyze the quantum circuit complexities of block encoding the discretized elliptic operators that arise extensively in numerical simulations for partial differential equations, including high-dimensional instances for many-body simulations. When restricted to rectangular domains with separable boundary conditions, we provide explicit circuits to block encode the many-body Laplacian with separable periodic, Dirichlet, Neumann, and Robin boundary conditions, using standard discretization techniques from low-order finite difference methods. To obtain high-precision, we introduce a scheme based on periodic extensions to solve Dirichlet and Neumann boundary value problems using a high-order finite difference method, with only a constant increase in total circuit depth and subnormalization factor. We then present a scheme to implement block encodings of differential operators acting on more arbitrary domains, inspired by Cartesian immersed boundary methods. We then block encode the many-body convective operator, which describes interacting particles experiencing a force generated by a pair-wise potential given as an inverse power law of the interparticle distance. This work provides concrete recipes that are readily translated into quantum circuits, with depth logarithmic in the total Hilbert space dimension, that block encode operators arising broadly in applications involving the quantum simulation of quantum and classical many-body mechanics.

Kharazi, Tyler [University of California, Berkeley↗
DOE OSTI2025

Toward Higher-order Accuracy in Self-gravitating Hydrodynamics

High-order algorithms have emerged in numerical astrophysics as a promising avenue to reduce truncation error (proportional to a power of the linear resolution Δ x ) with only a moderate increase to computational expense. Significant effort has been placed in the development of finite-volume algorithms for (magneto)hydrodynamics; however, state-of-the-art astrophysical simulations tightly couple a plenitude of physics, additionally including gravity, photon transport, cosmic-ray transport, chemistry, and/or diffusion, to name a few. Algorithms frequently operator-split this additional physics (often a first-order error in time) and/or adopt a model wherein their evaluation is limited to second-order accuracy in space. In this work, we present a fourth-order-accurate finite-volume scheme for self-gravitating hydrodynamics on a uniform Cartesian grid. The method supplies source terms for the gravitational acceleration ( ρ g ) and gravitational energy release ( ρ v · g ) associated with fourth-order-accurate solutions to the Poisson equation. Our scheme (1) guarantees the conservation of total linear momentum while (2) decreasing (in proportion to Δ x 4 ) the effects of spurious heating and/or cooling associated with truncation error in the gravity. We demonstrate expected convergence rates for the algorithm by measuring errors in test problems evolving self-gravity modified linear waves and 3D polytropic equilibria. We test robustness of the algorithm by integrating an induced “inside-out” adiabatic collapse. We also discuss a method to smoothly downgrade the solution to second-order spatial accuracy to avoid spurious overshoots near steep density and/or pressure gradients.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

thornado+FLASH-X: A Hybrid Discontinuous Galerkin–Implicit-explicit and Finite-volume Framework for Neutrino-radiation Hydrodynamics in Core-collapse Supernovae

We present neutrino-transport algorithms implemented in the toolkit for high-order neutrino-radiation hydrodynamics (thornado) and their coupling to self-gravitating hydrodynamics within the adaptive mesh refinement–based multiphysics simulation framework FLASH-X. thornado, developed primarily for simulations of core-collapse supernovae (CCSNe), employs a spectral, six-species two-moment formulation with algebraic closure and special-relativistic observer corrections accurate to $\mathcal{O}(v/c)$, and uses discontinuous Galerkin (DG) methods for phase-space discretization combined with implicit-explicit time stepping. A key development is a nonlinear neutrino–matter coupling algorithm based on nested fixed-point iteration with Anderson acceleration, enabling fully implicit treatment of collisional processes, including energy-coupling interactions such as neutrino–electron scattering and pair production. Coupling to finite-volume (FV) hydrodynamics is achieved through a hybrid DG-FV representation of the fluid variables and operator-split evolution within FLASH-X. The implementation is verified using basic transport tests with idealized opacities and relaxation and deleptonization problems with tabulated microphysics. Spherically symmetric CCSN simulations demonstrate accuracy and robustness of the coupled scheme, including close agreement with the CCSN simulation code Chimera. An axisymmetric CCSN simulation further demonstrates the viability of DG-based neutrino transport for multidimensional supernova modeling within FLASH-X. thornado’s neutrino-transport solver is GPU-enabled using OpenMP offloading or OpenACC, and all CCSN applications included in this work use the GPU implementation. Together, these results establish a foundation for future enhancements in physics fidelity, numerical algorithms, and computational performance, for increasingly realistic large-scale CCSN simulations.

Endeve, Eirik [Oak Ridge National Laboratory (ORNL↗
DOE OSTI2026

Stochastic tensor contraction for quantum chemistry

Many computational methods in ab initio quantum chemistry are formulated in terms of high-order tensor contractions, whose cost determines the size of system that can be studied. We introduce stochastic tensor contraction to perform such operations with greatly reduced cost, and present its application to the gold-standard quantum chemistry method, coupled cluster theory with up to perturbative triples. For total energy errors more stringent than chemical accuracy, we reduce the computational scaling to that of mean-field theory, while starting to approach the mean-field absolute cost, thereby challenging the existing cost-to-accuracy landscape. Benchmarks against state-of-the-art local correlation approximations further show that we achieve an order-of-magnitude improvement in both total computation time and error, with significantly reduced sensitivity to system dimensionality and electron delocalization. We conclude that stochastic tensor contraction is a powerful computational primitive to accelerate a wide range of quantum chemistry.

Chemical Physics (physics.chem-ph)↗
DOE OSTI2026

Disentangling High Harmonic Generation from Surface and Bulk States of a Topological Insulator

The discovery of topological phases has introduced a new dimension to materials science. Three-dimensional (3D) topological insulators (TIs) are a remarkable class of matter that is insulating in the bulk while hosting conductive topological surface states (TSSs) with unique charge and spin properties. High-order harmonic generation (HHG) has emerged as a powerful tool to probe condensed matter systems by providing insights into their electronic structure and dynamic behavior. Here, we investigate HHG in the prototype 3D-TI Bi$_2$Se$_3$. We demonstrate that the contributions of bulk and surface states to the harmonic emission can be controlled by tuning the thickness of thin film samples. An ultrathin (6 nm) film substantially enhances HHG from the surface states, while the bulk states dominate HHG in a thicker (50 nm) film. By applying a quasi-static terahertz perturbing field, we disentangle the bulk and surface responses and reveal the significant impact of the surface states' shift vector and Berry curvature on HHG. Our study provides effective methods for isolating the optical responses of TSSs from those of the bulk, which opens the door to resolving an ongoing debate regarding whether it is possible to reliably extract topological signatures in HHG.

Atomic Physics (physics.atom-ph)↗
NASA NTRS1967

Modeling with Liapunov functions.

Behavior of high-order linear control systems analyzed using liapunov second method, by finding low-order model with closely approximate response behavior of high order linear control systems analyzed, using Liapunov second method, by finding low order model with closely approximate response

LIAPUNOV FUNCTION↗
NASA NTRS1970

Discrete control of linear distributed systems with application to the deformable primary mirror of a large orbiting telescope

One of the more significant technological problems associated with the orbital operation of large astronomical telescope's is the fabrication and maintenance of the primary mirror surface to the tolerance required for diffraction-limited performance. An interesting approach to the solution of this problem involves continuously measuring and automatically correcting the optical surface of a thin deformable mirror by means of discrete actuators located on its rear surface: The realization of diffraction-limited performance from a telescope in space by this method rests on the ability of the designer to achieve extremely accurate control of a highly complex, interacting, multivariable system. This paper presents the results of a detailed study of the discrete control of linear distributed systems with specific application to the design of a practical controller for a plant representative of a telescope primary mirror for an orbiting astronomical observatory. The problem of controlling the distributed plant is treated by employing modal techniques to represent variations in the optical figure. Distortion of the mirror surface, which arises primarily from thermal gradients, is countered by actuators working against a backing structure to apply a corrective force distribution to the controlled surface. Each displacement actuator is in series with a spring attached to the mirror by means of a pad intentionally introduced to restrict the excitation of high-order modes. Control is then exerted over a finite number (equal.to the number of actuators) of the most significant modes. Through the application of the modal expansion technique the mirror equation of motion is transformed tb a set of uncoupled, linear, time-invariant, ordinary differential equations. The desired dynamic response and static accuracy may then be achieved by the application of classical single-variable design techniques. The formulation of a quadratic performance index which incorporates a measure of image quality permits determination of the trade-off between the-number of actuators and optical purity. A criterion for defining actuator placement and pad size is presented which minimizes the tendency of the controller to excite the unmonitored modes.

Jeremiah F Creedon↗
NASA NTRS1970

Discrete control of linear distributed systems with application to the deformable primary mirror of a large orbiting telescope

The results are presented of a detailed study of the discrete control of linear distributed systems with specific application to the design of a practical controller for a plant representative of a telescope primary mirror for an orbiting astronomical observatory. The problem of controlling the distributed plant is treated by employing modal techniques to represent variations in the optical figure. Distortion of the mirror surface, which arises primarily from thermal gradients, is countered by actuators working against a backing structure to apply a corrective force distribution to the controlled surface. Each displacement actuator is in series with a spring attached to the mirror by means of a pad intentionally introduced to restrict the excitation of high-order modes. Control is exerted over a finite number of the most significant modes.

Creedon, J. F.↗
NASA NTRS1973

Quasi-monochromatic measurements of homogeneous arc plasmas.

The refined diagnostic information obtainable by high-order spectrometry is illustrated by the results of quantitative measurements of a few rotational lines of OH in the ultraviolet spectrum of water-vapor plasmas generated in a wall-stabilized arc. Because of the high spectral and spatial resolution achieved in end-on measurements, the emission and also the absorption coefficients pertaining to homogeneous arc regions were obtained directly from measured line spectra - although the absorption was not measured explicitly - leading to the occupation of the upper and the lower state for the transition. The gas temperature was determined from the halfwidth of the Doppler-broadened rotational lines. The measured resolving power of the spectrometer was of the order of 400,000 in these measurements.

Klein, L.↗
NASA NTRS1973

Intermediate energy nucleon-deuteron elastic scattering

The adequacy of a multiple scattering description of nucleon-deuteron scattering at intermediate energy is examined. Although the multiple-scattering series is expected to converge slowly, model calculations indicate that the higher-order multiple-scattering terms contribute only to the low-order partial waves. The first two terms, nucleon exchange and single scattering, are assumed to describe the high-order partial waves completely. It is assumed that the deuteron is coupled only to the nucleon channel and that the internal structure is adequately defined by a nonrelativistic wave function.

Wilson, J. W.↗
NASA NTRS1974

Hypersonic flows generated by parabolic and paraboloidal shock waves

A computer algorithm has been developed to determine the blunt-body flowfields supporting symmetric parabolic and paraboloidal shock waves at infinite free-stream Mach number. Solutions are expressed in an analytic form as high-order power series, in the coordinate normal to the shock, whose coefficients can be determined exactly. Analytic continuation is provided by the use of Pade approximations. Test cases provide solutions of very high accuracy. In the axisymmetric case for gamma equals 715 the solution has been found far downstream, where it agrees with the modified blast-wave results. For plane flow, on the other hand, a limit line appears within the shock layer, a short distance past the sonic line, suggesting the presence of an imbedded shock. Local solutions in the downstream limit are discussed.

Schwartz, L. W.↗
NASA NTRS1974

GOAL - A test engineer oriented language

The development of a test engineer oriented language has been under way at the Kennedy Space Center for several years. The result of this effort is the Ground Operations Aerospace Language, GOAL, a self-documenting, high-order language suitable for coding automatic test, checkout and launch procedures. GOAL is a highly readable, writable, retainable language that is easily learned by nonprogramming oriented engineers. It is sufficiently powerful for use at all levels of Space Shuttle ground processing, from line replaceable unit checkout to integrated launch day operations. This paper will relate the language development, and describe GOAL and its applications.

Mitchell, T. R.↗
NASA NTRS1975

A formulation consideration for orthogonal collocation procedures

Numerical instabilities often arise in the use of high-ordered collocation approximations for numerically solving parabolic partial differential equations. These problems may be reduced by formulations involving evaluation of collocation polynomials rather than combination of the polynomials into a power series. As an illustration, two formulations using shifted Legendre polynomials of order 26 and less are compared.

Lashmet, P. K.↗
NASA NTRS1976

Multistep methods of numerical integration using back-corrections

A class of linear multistep methods is proposed for the solution of the equations of motion of certain dynamical systems encountered in celestial mechanics and astrodynamics. These methods are distinguished from the classical predictor-corrector methods in that they permit 'back-corrections' of the solution to be made. As the integration advances in time, the numerical solution is corrected or improved at certain points in the past. The enhanced numerical stability of these methods allows the meaningful application of high-order algorithms. Consequently, step sizes larger than those attainable with the classical methods may be adopted, and greater overall efficiency may be realized. These methods are applied to the problem of determining the orbit of an artificial satellite, and the results are compared with those obtained using classical methods.

Feagin, T.↗
NASA NTRS1975

Stabilization of large-scale systems - A spinning flexible spacecraft

Stabilization of high-order constant systems by multilevel control is proposed in the framework of the decomposition-aggregation method for stability analysis of large-scale systems. An 11-order linear model of a spinning flexible spacecraft is stabilized by the method using both the passive and the active stabilization devices. The method can take advantage of the special structural features of the model to provide the best estimate of the stability region for an important parameter which couples the wobble and the spin motion of the spacecraft.

Siljak, D. D.↗