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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Optimizing time integration for accurate recovery of shockwave interface location in radiography

We present simulations and experiments of time integrated radiographic imaging of a moving 1D shock wave front and a quantitative method for determining the statistical error in locating the shock front as a function of integration time and noise in the radiograph. We discuss the trade-off between increasing motion blur, which leads to decreased shock front location certainty, and increasing signal-to-noise, which leads to improved image quality with increasing integration time. We find an optimum integration time between a short integration time, where noise limits the error, and a long integration time, where motion blurring limits the error. This methodology can be used to tune experimental configurations to obtain the highest quality radiograph for a given experimental configuration.

Bremsstrahlung↗
DOE OSTI2025

Advancing simulations of coupled electron and phonon nonequilibrium dynamics using adaptive and multirate time integration

Electronic structure calculations in the time domain provide a deeper understanding of nonequilibrium dynamics in materials. The real-time Boltzmann equation (rt-BTE), used in conjunction with accurate interactions computed from first principles, has enabled reliable predictions of coupled electron and lattice dynamics. However, the timescales and system sizes accessible with this approach are still limited, with two main challenges being the different timescales of electron and phonon interactions and the cost of computing collision integrals. As a result, only a few examples of these calculations exist, mainly for two-dimensional (2D) materials. Here we leverage adaptive and multirate time integration methods to achieve a major step forward in solving the coupled rt-BTEs for electrons and phonons. Relative to conventional (non-adaptive) time-stepping, our approach achieves a 10x speedup for a target accuracy, or greater accuracy by 3–6 orders of magnitude for the same computational cost, enabling efficient calculations in both 2D and bulk materials. This efficiency is showcased by computing the coupled electron and lattice dynamics in graphene up to ~100 ps, as well as modeling ultrafast lattice dynamics and thermal diffuse scattering maps in bulk materials (silicon and gallium arsenide). In addition to improved efficiency, our adaptive method can resolve the characteristic rates of different physical processes, thus naturally bridging different timescales. This enables simulations of longer timescales and provides a framework for modeling multiscale dynamics of coupled degrees of freedom in matter. Our work opens new opportunities for quantitative studies of nonequilibrium physics in materials, including driven lattice dynamics with phonons coupled to electrons, spin, and other degrees of freedom.

Yao, Jia [California Institute of Technology (CalT↗
DOE OSTI2025

Moment-based adaptive time integration for thermal radiation transport

Here, in this paper we develop a framework for moment-based adaptive time integration of deterministic multifrequency thermal radiation transpot (TRT). We generalize our recent semi-implicit-explicit (IMEX) integration framework for gray TRT to multifrequency TRT, and also introduce a semi-implicit variation that facilitates higher-order integration of TRT, where each stage is implicit in all components except opacities. To appeal to the broad literature on adaptivity with Runge–Kutta methods, we derive new embedded methods for four asymptotic preserving IMEX Runge–Kutta schemes we have found to be robust in our previous work on TRT and radiation hydrodynamics. We then use a moment-based high-order-low-order representation of the transport equations. Due to the high dimensionality, memory is always a concern in simulating TRT. We form error estimates and adaptivity in time purely based on temperature and radiation energy, for a trivial overhead in computational cost and memory usage compared with the base second order integrators. We then test the adaptivity in time on the tophat and Larsen problem, demonstrating the ability of the adaptive algorithm to naturally vary the timestep across 4–5 orders of magnitude, ranging from the dynamical timescales of the streaming regime to the thick diffusion limit.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Measurement of the time-integrated 𝐶⁢𝑃 asymmetry in 𝐷 0 → 𝜋 0 ⁢𝜋 0 decays at Belle II

We measure the time-integrated 𝐶⁢𝑃 asymmetry, 𝐴 𝐶⁢𝑃 , in 𝐷 0 → 𝜋 0 ⁢𝜋 0 decays reconstructed in 𝑒 + ⁢𝑒 − → $𝑐⁢\bar{𝑐}$ events collected by Belle II during 2019–2022. The data corresponds to an integrated luminosity of 428 fb −1 . The 𝐷 0 decays are required to originate from the flavor-conserving 𝐷 *+ → 𝐷 0 ⁢𝜋 + decay to determine the charm flavor at production time. Control samples of 𝐷 0 → 𝐾 − ⁢𝜋 + decays, with or without an associated pion from a 𝐷 *+ decay, are used to correct for detection asymmetries. The result, 𝐴 𝐶⁢𝑃 ⁡(𝐷 0 → 𝜋 0 ⁢𝜋 0 ) = (0.30 ± 0.72 ± 0.20)%, where the first uncertainty is statistical and the second systematic, is consistent with 𝐶⁢𝑃 symmetry.

CP violation↗
DOE OSTI2026

New Time Integrators and Capabilities in SUNDIALS Versions 6.2.0-7.4.0

SUNDIALS is a well-established numerical library that provides robust and efficient time integrators and nonlinear solvers. This article overviews several significant improvements and new features added over the last 3 years to support scientific simulations run on high-performance computing systems. Notably, three new classes of one-step methods have been implemented: low storage Runge–Kutta, symplectic partitioned Runge–Kutta, and operator splitting. In addition, we describe new timestep adaptivity support for multirate methods, adjoint sensitivity analysis capabilities for explicit Runge–Kutta methods, additional options for Anderson acceleration in nonlinear solvers, and improved error handling and logging.

Computer science↗
DOE OSTI2025

Measurement of the time-integrated C P asymmetry in D 0 → K S 0 K S 0 decays using Belle and Belle II data

We measure the time-integrated C P asymmetry in D 0 → K S 0 K S 0 decays reconstructed in e + e − → c c ¯ events collected by the Belle and Belle II experiments. The corresponding data samples have integrated luminosities of 980 and 428 fb − 1 , respectively. The D 0 decays are required to originate from the D * + → D 0 π + decay, which determines the charm flavor at production time. A control sample of D 0 → K + K − decays is used to correct for production and detection asymmetries. The result, ( − 1.4 ± 1.3 ( stat ) ± 0.1 ( syst ) ) % , is consistent with previous determinations and with C P symmetry. Published by the American Physical Society 2025

Adachi, I. (ORCID:0000000322870173)↗
DOE OSTI2025

Measurement of the time-integrated 𝐶⁢𝑃 asymmetry in 𝐷 0 → 𝐾$^{0}_{S}$𝐾$^{0}_{S}$ decays using opposite-side flavor tagging at Belle and Belle II

We measure the time-integrated 𝐶⁢𝑃 asymmetry in 𝐷 0 → 𝐾$^{0}_{S}$𝐾$^{0}_{S}$ decays reconstructed in 𝑒 + ⁢𝑒 − → $c\bar{c}$ events collected by the Belle and Belle II experiments. The corresponding data samples have integrated luminosities of 980 and 428 fb −1 , respectively. To infer the flavor of the 𝐷 0 meson, we exploit the correlation between the flavor of the reconstructed decay and the electric charges of particles reconstructed in the rest of the 𝑒 + ⁢𝑒 − → $c\bar{c}$ event. This results in a sample which is independent from any other previously used at Belle or Belle II. The result, 𝐴 𝐶⁢𝑃 ⁡(𝐷 0 → 𝐾$^{0}_{S}$𝐾$^{0}_{S}$)=(1.3±2.0±0.2)%, where the first uncertainty is statistical and the second systematic, is consistent with previous determinations and with 𝐶⁢𝑃 symmetry.

CP violation↗
DOE OSTI2025

Time-domain all-frequency stable formulation for low-frequency electromagnetic simulation with Newmark-β time integration

An implicitly Coulomb-gauged A-ϕ formulation has previously been proposed and validated for finite ele- ment simulations of low-frequency and multiscale electromag- netic problems in the frequency domain. This formulation has demonstrated numerical stability across all frequencies, with its accuracy, efficiency, and iterative convergence established in various frequency-domain scenarios. However, direct time- domain computation is often preferable for wideband electro- magnetic problems and is typically indispensable in nonlinear and multiphysics simulations. In this work, the A-ϕ formulation is extended to the time domain. By incorporating the well-known Newmark-β time integration scheme, the proposed formulation is validated through capacitive and inductive test cases. The results confirm the solution’s accuracy and demonstrate the formulation’s stability in the time domain.

Mekonnen, Minyechil↗
DOE OSTI2026

Multibody for Everybody (M4E) - A Linearization Approach to Enable Frequency Domain Analysis, Time Integration and Control Co-Design

1.1 Background/Objectives: Marine energy represents a promising yet underexploited source of power. To increase the harvested power, significant efforts have been made to improve wave energy converter (WEC) modeling capabilities and optimize power take-off (PTO) performance; however, these efforts have often treated WEC dynamics, PTO design, and controller development sequentially. In contrast, control co-design (CCD) is emerging as a promising strategy to address these issues directly, creating a growing need for fast analysis tools suitable for repeated simulation and parametric studies [1]. To support this need, this work presents the Multibody for Everybody (M4E) [2] linearization module, which employs a symbolic toolbox to provide deeper insight of WEC design parameters. The objective is to demonstrate that a minimal-coordinate linearization of articulated WEC dynamics can provide accurate wave response predictions and substantial computational savings relative to nonlinear time-domain simulation, while preserving compatibility with broader wave-energy analysis workflows, enabling CCD. 1.2 Approach/Activities: The proposed approach linearizes the equations of motion, generated by M4E, in minimal coordinates about a selected operating point and combines the resulting system with frequencydomain hydrodynamic terms to incorporate the reduced mass, damping, stiffness, and forcing operators. The linearized model is used for both impedance-based response amplitude operator (RAO) prediction and rapid regular-wave time integration. The methodology is demonstrated on a single-flap device and a FOSWEC configuration, with linearized M4E responses compared against the corresponding nonlinear M4E simulations and WEC-Sim results. Regular-wave time histories, RAO trends, and runtime differences are assessed. The framework is also compatible with broader wave-energy workflows, including coupling to WecOptTool, although that capability is not the focus of this work [3]. 1.3 Results/Lessons: The linearized M4E model reproduces key regularwave response characteristics such as integration and Response Amplitude over multiple frequencies. This module matches nonlinear M4E and WEC-Sim results while substantially reducing integration cost. Thus, the proposed framework can serve as a rapid analysis layer for articulated WEC design, parameter studies, and controls-oriented workflows. The analysis is most appropriate in the near-equilibrium regime, about the linearization point.

16 TIDAL AND WAVE POWER↗
DOE OSTI2025

Sylvester-preconditioned adaptive-rank implicit time integrators for advection-diffusion equations with variable coefficients

Here, we consider the adaptive-rank integration of multi-dimensional time-dependent advection-diffusion partial differential equations (PDEs) with variable coefficients. We employ a standard finite-difference method for spatial discretization coupled with high-order diagonally implicit Runge-Kutta temporal schemes. The discrete equation is a generalized Sylvester equation (GSE), which we solve with a projection-based adaptive-rank algorithm structured around two key strategies: (i) constructing dimension-wise subspaces using a novel atypical extended Krylov strategy, and (ii) efficiently solving the basis coefficient matrix with a preconditioned GMRES solver. The low-rank decomposition is performed in 2D using SVD and with high-order SVD (HOSVD) in 3D to represent the tensor in a compressed Tucker format. For d-dimensional problems (here, d = 2 or 3), the computational complexity and memory storage of the approach are found numerically to scale as and $\mathscr{O}(Nr^2) + \mathscr{O} (r^{d+1})$ and $\mathscr{O}(Nr) + \mathscr{O} (r^{d})$, respectively, with the one-dimensional resolution and the maximal rank during the Krylov iteration (which we find to be largely independent of on our numerical examples). We present numerical examples that illustrate the advertised properties of the algorithm.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Time-integrated Southern-sky Neutrino Source Searches with 10 yr of IceCube Starting-track Events at Energies Down to 1 TeV

In the IceCube Neutrino Observatory, a signal of astrophysical neutrinos is obscured by backgrounds from atmospheric neutrinos and muons produced in cosmic-ray interactions. IceCube event selections used to isolate the astrophysical neutrino signal often focus on the morphology of the light patterns recorded by the detector. The analyses presented here use the new IceCube Enhanced Starting Track Event Selection (ESTES), which identifies events likely generated by muon–neutrino interactions within the detector geometry, focusing on neutrino energies of 1–500 TeV with a median angular resolution of 1.4°. Selecting for starting-track events filters out not only the atmospheric-muon background but also the atmospheric-neutrino background in the southern sky. This improves IceCube’s muon–neutrino sensitivity to southern-sky neutrino sources, especially for Galactic sources that are not expected to produce a substantial flux of neutrinos above 100 TeV. In this work, the ESTES sample was applied for the first time to search for astrophysical sources of neutrinos, including a search for diffuse neutrino emission from the Galactic plane. No significant excesses were identified from any of the analyses; however, constraining limits are set on the hadronic emission from TeV gamma-ray Galactic plane objects and models of the diffuse Galactic plane neutrino flux.

Abbasi, R. [Loyola University, Chicago, IL (United↗
DOE OSTI2025

Fully implicit crystal plasticity models representing orientations with modified Rodrigues parameters

Here, this work describes a crystal plasticity formulation combining several mathematical, numerical, and implementation choices to produce a highly efficient model. Specifically, the key choices in the implementation are (1) representing orientations with modified Rodrigues parameters, (2) implementing a fully coupled implicit time integration for the elastic stretch, the crystal orientations, and the model internal variables, (3) implementing the model in the NEML2 constitutive modeling framework, based on PyTorch, to vectorize the calculations and port the computation to GPUs and other hardware accelerators, and (4) an exact implementation of the consistent tangent matrix, even for arbitrary coupling to other field variables beyond the displacements, like temperature, neutron fluence, etc. The first two features of the model are, to our knowledge, novel. The paper considers each of these choices individually as well as the final model as a whole. This includes a full description of modified Rodrigues parameters, their advantages over other representations of orientations, the mathematical formulae and tools required to implement a model with modified Rodrigues parameters, and a detailed description of the geometry of the space of modified Rodrigues parameters (in an appendix). It also includes a description of a fully implicit time integration scheme for the orientations and the advantages in representing orientations with modified Rodrigues parameters in implementing such a model. The work then assess, via numerical examples, the advantages of fully coupled implicit time integration versus more common decoupled and explicit time integration schemes. These studies demonstrate the computational advantages of fully coupled integration versus other time integration algorithms, though the performance of the competing models depends on the complexity of the underlying single crystal model. The study concludes by demonstrating that the choice of time integration method affects the sharpness of the predicted texture, with explicit methods for integrating the orientations overestimating texture sharpness and implicit methods underestimating texture sharpness.

Crystal plasticity↗
DOE OSTI2026

Efficient and flexible multirate temporal adaptivity

In this work we present two new families of multirate time step adaptivity controllers, that are designed to work with embedded multirate infinitesimal (MRI) time integration methods for adapting time steps when solving problems with multiple time scales. We compare these controllers against competing approaches on two benchmark problems, showing that the proposed methods offer dramatically improved performance and flexibility. The combination of embedded MRI methods and the proposed controllers enable adaptive simulations of problems with a potentially arbitrary number of time scales, achieving high accuracy while maintaining low computational cost. Additionally, we introduce a new set of embeddings for the family of explicit multirate exponential Runge–Kutta (MERK) methods of orders 2 through 5, resulting in the first-ever fifth-order embedded MRI method. Finally, we compare the performance of a wide range of embedded MRI methods on our benchmark problems to provide guidance on how to select an appropriate MRI method and multirate controller.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

“Frameworks, Algorithms and Scalable Technologies for Mathematics (FASTMath) SciDAC Institute” (Final Technical Report)

SMU personnel formed a portion of the overall “Time Integration” team within the FASTMath SciDAC-5 Institute, and we interacted very closely with team members from collaborating institutions. The major goals of our team within the FASTMath institute may be categorized into two groups: the development of advanced and application-aware time integration methods and software, and close interactions with DOE application scientists to facilitate their use of these new methods and software. The two goals are intimately linked, since our research and development of novel tools is informed by the needs of our application partners, who in turn benefit from subsequent mathematical and software advances. While the SMU personnel collaborated with the rest of the Time Integration FASTMath team on most of our shared deliverables within the larger FASTMath institute, SMU personnel primarily contributed to the following subset of those goals: ● expanding capabilities for higher-order and solve-decoupled multirate methods, ● enhancing support for temporal adaptivity within multirate methods, and ● adding structure-aware time integration methods. Each of these goals focused both on intellectual contributions through journal articles or research presentations, and on enhancements to the open-source SUNDIALS library of time integrators and nonlinear solvers, of which the SMU PI Reynolds is a core developer.

97 MATHEMATICS AND COMPUTING↗