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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

QCD jets in a hot and dense medium: A study of shower formation time and collision kernels

With the use of , a model which considers evolving QCD jets against a fluid dynamical background, it is shown that the introduction of formation time to the parton shower after the initial hard scattering is essential for a simultaneous description of charged hadron and jet R A A . This inclusion also improves jet shape ratios at small angle and jet fragmentation function ratios of leading charged hadrons. The framework is then aimed at a study of the leading-order, next-to-leading-order, and nonperturbative collision kernels. Sizable differences in the modification of jet substructure observables, i.e., jet shape and fragmentation functions, are observed. Such differences are caused by the difference in the radiation rates of relatively soft gluons that survive in the evolution in medium. Published by the American Physical Society 2025

Modarresi-Yazdi, Rouzbeh (ORCID:0000000290377447)↗
DOE OSTI2024

AMPX Developments in FY2023 [Slides]

This presentation deals with AMPX development in FY2023 focused on preparing for the release and testing of ENDF/B-VIII.1. It includes updates for Thermal Scattering Law in ENDF/B-VIII.1. The presentation finishes with touching on resolution of a SCALE Issue with thermal kernels and photonuclear physics support.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Meshless discretization of the discrete-ordinates transport equation with integration based on Voronoi cells

The time-dependent, gray, linear radiation transport equation is discretized using the meshless local Petrov-Galerkin method with reproducing kernels. The integration is performed using a Voronoi tessellation, which creates a partition of unity that only depends on the position and extent of the kernels. The resolution of the integration automatically follows the particles and requires no manual adjustment. The discretization includes streamline-upwind Petrov-Galerkin stabilization to prevent oscillations and improve numerical conditioning. The angular quadrature is selectively refineable to increase angular resolution in chosen directions. The time discretization is done using backward Euler. The transport solve for each direction and the solve for the scattering source are both done using Krylov iterative methods. The results indicate first-order convergence in time and second-order convergence in space for linear reproducing kernels.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Hardware-Accelerated Ray Tracing of CAD-Based Geometry for Monte Carlo Radiation Transport

Monte Carlo radiation transport (MCRT) methods have been used to simulate radiation environments for many decades by tracking individual particles through a model to accumulate statistical information. MCRT geometry is historically formed using the constructive solid geometry (CSG). Recently, significant work has been performed to support simulations using computer-aided design (CAD)-based tessellated surfaces to support highly complex geometries. Ray tracing acceleration data structures from the rendering and visualization community are applied to accelerate particle tracking in CAD-based models. Despite these efforts, CSG representations provide the superior performance in surface intersection operations during particle flight. Concurrently, pseudo Monte Carlo methods have become prevalent in rendering applications to support more realistic models for scattering media, motivating innovations that are advantageous for MCRT simulations. Finally, the authors’ work extends these innovations by employing Intel’s Embree ray tracing kernel within a geometry toolkit for Monte Carlo to improve the simulation performance using CAD-based models by factors of 1.5 to 2.

42 ENGINEERING↗
DOE OSTI2025

Scattering Observables from Few-Body Densities and Compton Scattering on $^6$Li

The dynamics of scattering on light nuclei is numerically expensive using standard methods. Fortunately, recent developments allow one to factor the relevant quantities for a given probe into a convolution of an n -body Transition Density Amplitude (TDA) and the interaction kernel for a given probe. These TDAs depend only on the target, and not the probe; they are calculated once for each set of kinematics and can be used for different interactions.\ % in the same kinematics. The kernels depend only on the probe, and not on the target; they can be reused for different targets and different kinematics. The calculation of TDAs becomes numerically difficult for more than four nucleons, but we discuss a new solution through the use of a Similarity Renormalization Group transformation, and a subsequent back-transformation. This technique allows for extending the TDA method to heavier nuclei such as 6 Li. We present preliminary results for Compton scattering on 6 Li and compare with available data, anticipating an upcoming, more thorough study. We also discuss ongoing extensions to pion-photoproduction and other reactions on light nuclei.

Long, Alexander [George Washington University, Was↗
DOE OSTI2025

Explosive Soot Challenge (Final Report)

This project assembled a broad ensemble of modeling and experimentation tools to study the morphological and optical properties of detonation soots in explosive fireballs. A gram-scale hemispherical high explosive was studied in a low-pressure controlled environment using in-situ experimentation with diffusely illuminated visible absorption spectroscopy, particle sizing through light scattering techniques, and post-test collections with subsequent morphological analysis. Hydrocode modeling was performed to replicate the detonation flow observations, and subsequent aerosol kinetics models provided particle size distributions and extinction coefficients from the hydrocode results. Experimentally observed soot morphologies agreed with expectation from the literature - a bimodal distribution was found, brought upon by the particles growing to a size where their inertia and fluid wakes are non-negligible. The aerosol kinetics model did not replicate the observed bimodal size distribution for lack of a coagulation kernel to represent the behavior. To recover particulate optical properties, a spectrally resolved absorption spectroscopy method termed Spectral diffuse back-illuminated extinction imaging (SBI-EI) was developed and implemented on two explosive types. Inverting the absorption spectra using a Kramers-Kronig consistent method yielded the complex index of refraction for the soots produced by the explosives. This method resulted in an unrealistic index of refraction for one of the two explosives, and this is suspected to be due to the model neglecting scattering brought upon by the large particle sizes observed. In addition to the core work, three additional studies were performed in parallel. These investigated the impact of scattering on diffuse absorption spectroscopy, studied how soots oxidate and sublimate in a well-controlled shock tube, and laid the theoretical groundwork for a new collision kernel to replicate the bimodal size distribution from the observations. Summaries of these efforts are included at the end of this report.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2021

Gaussian process regression constrained by boundary value problems

We develop a framework for Gaussian processes regression constrained by boundary value problems. The framework may be applied to infer the solution of a well-posed boundary value problem with a known second-order differential operator and boundary conditions, but for which only scattered observations of the source term are available. Scattered observations of the solution may also be used in the regression. The framework combines co-kriging with the linear transformation of a Gaussian process together with the use of kernels given by spectral expansions in eigenfunctions of the boundary value problem. Furthermore, it benefits from a reduced-rank property of covariance matrices. We demonstrate that the resulting framework yields more accurate and stable solution inference as compared to physics-informed Gaussian process regression without boundary condition constraints.

42 ENGINEERING↗
DOE OSTI2023

Using Numba for GPU acceleration of Neutron Beamline Digital Twins

Digital twins of neutron instruments using Monte Carlo ray tracing have proven to be useful in neutron data analysis and verifying instrument and sample designs. However, these simulations can become quite complex and computationally demanding with tens of billions of neutrons. In this paper, we present a GPU accelerated version of MCViNE using Python and Numba to balance user extensibility with performance. Numba is an open-source just-in-time (JIT) compiler for Python using LLVM to generate efficient machine code for CPUs and GPUs with NVIDIA CUDA. The JIT nature of Numba allowed complex instrument kernels to be generated easily. Initial simulations have shown a speedup between 200-1000x over the original CPU implementation. The performance gain with Numba enables more sophisticated data analysis and impacts neutron scattering science and instrument design.

Kendrick, Coleman↗
DOE OSTI2026

A mechanistic, multiscale model for predicting Pd penetration in TRISO fuels using BISON

TRistructural ISOtropic (TRISO) particles use silicon carbide (SiC) as the primary structural member and barrier against metallic fission product (FP) release. palladiums (PDs), produced by fission in the fuel kernel, can diffuse to and chemically interact with the SiC layer, degrading its structural integrity and ability to contain radioactive FPs. Existing temperature-dependent correlations for predicting Pd penetration rely on experimental data with significant scatter due to varying conditions, potentially complicating ongoing fuel qualification and licensing efforts for advanced reactors that would subject TRISO fuels to operating conditions outside of those examined in the experiments. A mechanistic model of Pd production, transport, and reaction is developed in this work to better understand and predict PD attack of SiC in TRISO particles. molecular dynamicss (MDs) simulations are utilized to calculate the Pd diffusivity in SiC grain bulk and grain boundaries. A mesoscale phase-field diffusion model, informed by the MD diffusivities, is used to develop a reduced order model (ROM) for the effect of SiC microstructure on the Pd penetration rate. The engineering scale BISON model calculates Pd production and transport, utilizing the ROM to predict penetration rates consistent with experimental data. This novel mechanistic ROM captures the effect of temperature, microstructure, and irradiation history on Pd penetration. In conclusion, these new capabilities are expected to support ongoing qualification and licensing efforts associated with near-term TRISO-fueled reactor applications.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Generalizations of the double-copy: the KLT bootstrap

We formulate a new program to generalize the double-copy of tree amplitudes. The approach exploits the link between the identity element of the “KLT algebra” and the KLT kernel, and we demonstrate how this leads to a set of KLT bootstrap equations that the double-copy kernel has to satisfy in addition to locality constraints. We solve the KLT bootstrap equations perturbatively to find the most general higher-derivative corrections to the 4- and 5-point field theory KLT kernel. The new kernel generalizes the string KLT kernel and its associated monodromy relations. It admits new color-structures in the effective theories it double-copies. It provides distinct generalized KK and BCJ relations for the left and right single-color theories and is in that sense a ‘heterotic’-type double-copy. We illustrate the generalized double-copy in detail for 4d Yang-Mills theory with higher-derivative corrections that produce dilaton-axion-gravity with local operators up order ∇ 10 R 4 . Finally, we initiate a search for new double-copy kernels.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

The soaring kite: a tale of two punctured tori

We consider the 5-mass kite family of self-energy Feynman integrals and present a systematic approach for constructing an ε-form basis, along with its differential equation pulled back onto the moduli space of two tori. Each torus is associated with one of the two distinct elliptic curves this family depends on. We demonstrate how the locations of relevant punctures, which are required to parametrize the full image of the kinematic space onto this moduli space, can be extracted from integrals over maximal cuts. A boundary value is provided such that the differential equation is systematically solved in terms of iterated integrals over g-kernels and modular forms. Then, the numerical evaluation of the master integrals is discussed, and important challenges in that regard are emphasized. In an appendix, we introduce new relations between g-kernels.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Efficacy of the symmetry-adapted basis for ab initio nucleon-nucleus interactions for light- and intermediate-mass nuclei

We study the efficacy of a new ab initio framework that combines the symmetry-adapted (SA) no-core shell-model approach with the resonating group method (RGM) for unified descriptions of nuclear structure and reactions. We obtain ab initio neutron-nucleus interactions for 4 He, 16 O, and 20 Ne targets, starting with realistic nucleon-nucleon potentials. We discuss the effect of increasing model space sizes and symmetry-based selections on the SA-RGM norm and direct potential kernels, as well as on phase shifts, which are the input to calculations of cross sections. We demonstrate the efficacy of the SA basis and its scalability with particle numbers and model space dimensions, with a view toward ab initio descriptions of nucleon scattering and capture reactions up through the medium-mass region.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Unpolarized transverse momentum dependent parton distributions of the nucleon from lattice QCD

We present a first lattice QCD calculation of the unpolarized nucleon’s isovector transverse-momentum-dependent parton distribution functions (TMDPDFs), which are essential to predict observables of multiscale, semi-inclusive processes in the standard model. We use a N f = 2 + 1 + 1 MILC ensemble with valence clover fermions on a highly improved staggered quark (HISQ) sea to compute the quark momentum distributions in a large-momentum nucleon on the lattice. The state-of-the-art techniques in renormalization and extrapolation in the correlation distance on the lattice are adopted. The perturbative kernel up to next-to-next-to-leading order is taken into account, and the dependence on the pion mass and the hadron momentum is explored. Our results are qualitatively comparable with phenomenological TMDPDFs, which provide an opportunity to predict high energy scatterings from first principles. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2022

High performance sparse multifrontal solvers on modern GPUs

Here, we have ported the numerical factorization and triangular solve phases of the sparse direct solver STRUMPACK to GPU. STRUMPACK implements sparse LU factorization using the multifrontal algorithm, which performs most of its operations in dense linear algebra operations on so-called frontal matrices of various sizes. Our GPU implementation off-loads these dense linear algebra operations, as well as the sparse scatter–gather operations between frontal matrices. For the larger frontal matrices, our GPU implementation relies on vendor libraries such as cuBLAS and cuSOLVER for NVIDIA GPUs and rocBLAS and rocSOLVER for AMD GPUs. For the smaller frontal matrices we developed custom CUDA and HIP kernels to reduce kernel launch overhead. Overall, high performance is achieved by identifying submatrix factorizations corresponding to sub-trees of the multifrontal assembly tree which fit entirely in GPU memory. The multi-GPU setting uses SLATE (Software for Linear Algebra Targeting Exascale) as a modern GPU-aware replacement for ScaLAPACK. On 4 nodes of SUMMIT the code runs ~10X faster when using all 24 V100 GPUs compared to when it only uses the 168 POWER9 cores. On 8 SUMMIT nodes, using 48 V100 GPUs, the sparse solver reaches over 50TFlop/s. Compared to SuperLU, on a single V100, for a set of 17 matrices our implementation is faster for all but one matrix, and is on average 5X (median 4X) faster

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Constraints on a massive double-copy and applications to massive gravity

We propose and study a BCJ double-copy of massive particles, showing that it is equivalent to a KLT formula with a kernel given by the inverse of a matrix of massive bi-adjoint scalar amplitudes. For models with a uniform non-zero mass spectrum we demonstrate that the resulting double-copy factors on physical poles and that up to at least 5-particle scattering, color-kinematics duality satisfying numerators always exist. For the scattering of 5 or more particles, the procedure generically introduces spurious singularities that must be cancelled by imposing additional constraints. When massive particles are present, color-kinematics duality is not enough to guarantee a physical double-copy. As an example, we apply the formalism to massive Yang-Mills and show that up to 4-particle scattering the double-copy construction generates physical amplitudes of a model of dRGT massive gravity coupled to a dilaton and a two-form with dilaton parity violating couplings. We show that the spurious singularities in the 5-particle double-copy do not cancel in this example, and the construction fails to generate physically sensible amplitudes. We conjecture sufficient constraints on the mass spectrum, which in addition to massive BCJ relations, guarantee the absence of spurious singularities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Measurement of the angle between jet axes in pp collisions at $ \sqrt{s}$ = 5.02 TeV

This article reports measurements of the angle between differently defined jet axes in pp collisions at $\sqrt{s}$ = 5.02 TeV carried out by the ALICE Collaboration. Charged particles at midrapidity are clustered into jets with resolution parameters R = 0.2 and 0.4. The jet axis, before and after Soft Drop grooming, is compared to the jet axis from the Winner-Takes-All (WTA) recombination scheme. The angle between these axes, ΔR axis , probes a wide phase space of the jet formation and evolution, ranging from the initial high-momentum-transfer scattering to the hadronization process. The ΔR axis observable is presented for 20 < $p^{ch jet}_{T}$ < 100 GeV/c, and compared to predictions from the PYTHIA 8 and Herwig 7 event generators. The distributions can also be calculated analytically with a leading hadronization correction related to the non-perturbative component of the Collins-Soper-Sterman (CSS) evolution kernel. Comparisons to analytical predictions at next-to-leading-logarithmic accuracy with leading hadronization correction implemented from experimental extractions of the CSS kernel in Drell-Yan measurements are presented. The analytical predictions describe the measured data within 20% in the perturbative regime, with surprising agreement in the non-perturbative regime as well. These results are compatible with the universality of the CSS kernel in the context of jet substructure.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Scattering theory in noncanonical phase space: A Drift-Kinetic collision operator for weakly collisional plasmas

After developing a scattering theory for grazing collisions in general noncanonical phase spaces, we introduce a guiding center collision operator in five-dimensional phase space designed for plasma regimes characterized by long wavelengths (relative to the Larmor radius), low frequencies (relative to the cyclotron frequency), and weak collisionality (where repeated Coulomb collisions induce cumulatively small changes in particle magnetic moment). The collision operator is fully determined by the noncanonical Hamiltonian structure of guiding center dynamics and exhibits a metriplectic structure, ensuring the conservation of particle number, momentum, energy, and interior Casimir invariants. It also satisfies an H-theorem, allowing for deviations from an equilibrium Maxwellian distribution due to the nontrivial kernel of the noncanonical guiding center Poisson tensor, spanned by the magnetic moment. We propose that this collision operator and its underlying mathematical structure may offer valuable insight into the study of turbulence, transport, and self-organizing phenomena in both laboratory and astrophysical plasmas.

Hamiltonian mechanics↗
DOE OSTI2024

A double copy from twisted (co)homology at genus one

We study the twisted (co)homology of a family of genus-one integrals — the so called Riemann-Wirtinger integrals. These integrals are closely related to one-loop string amplitudes in chiral splitting where one leaves the loop-momentum, modulus and all but one puncture un-integrated. While not actual one-loop string integrals, they share many properties and are simple enough that the associated twisted (co)homologies have been completely characterized [1]. Using intersection numbers — an inner product on the vector space of allowed differential forms — we derive the Gauss-Manin connection for two bases of the twisted cohomology providing an independent check of [2]. We also use the intersection index — an inner product on the vector space of allowed contours — to derive a double-copy formula for the closed-string analogues of Riemann-Wirtinger integrals (one-dimensional integrals over the torus). Similar to the celebrated KLT formula between open- and closed-string tree-level amplitudes, these intersection indices form a genus-one KLT-like kernel defining bilinears in meromorphic Riemann-Wirtinger integrals that are equal to their complex counterparts.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗