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All sources NASA NTRS DOE OSTI

DOE OSTI2024

Computing the Instantaneous Collision Probability between Satellites using Characteristic Function Inversion

The probability that two satellites overlap in space at a specified instant of time is called their instantaneous collision probability. Assuming Gaussian uncertainties and spherical satellites, this probability is the integral of a Gaussian distribution over a sphere. This paper shows how to compute the probability using an established numerical procedure called characteristic function inversion. The collision probability in the short-term encounter scenario is also evaluated with this approach, where the instant at which the probability is computed is the time of closest approach between the objects. Python and R code is provided to evaluate the probability in practice. Overall, the approach has been established for over fifty years, is implemented in existing software, does not rely on analytical approximations, and can be used to evaluate two and three dimensional collision probabilities.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Electrochemical loading enhances deuterium fusion rates in a metal target

Nuclear fusion research for energy applications aims to create conditions that release more energy than required to initiate the fusion process1. To generate meaningful amounts of energy, fuels such as deuterium need to be spatially confined to increase the collision probability of particles2, 3–4. We therefore set out to investigate whether electrochemically loading a metal lattice with deuterium fuel could increase the probability of nuclear fusion events. Here we report a benchtop fusion reactor that enabled us to bombard a palladium metal target with deuterium ions. These deuterium ions undergo deuterium–deuterium fusion reactions within the palladium metal. We showed that the in situ electrochemical loading of deuterium into the palladium target resulted in a 15(2)% increase in deuterium–deuterium fusion rates. This experiment shows how the electrochemical loading of a metal target at the electronvolt energy scale can affect nuclear reactions at the megaelectronvolt energy scale.

Chen, Kuo-Yi↗

DOE OSTI2024

Performance Improvements of the Griffin Solvers in FY24

The Griffin code is a MOOSE-based reactor physics application jointly developed by Idaho National Laboratory and Argonne National Laboratory under the Department of Energy Office of Nuclear Energy Nuclear Energy Advanced Modeling and Simulation Program. This fiscal year, we have made significant efforts to improve the performance of transport solver options and cross-section generation for the efficient use of Griffin in advanced reactor applications. For the HFEM-PN solver, the residual evaluations of HFEM kernels were optimized by utilizing the pre- computed averaged cross sections for individual elements. Numerical integration involving the evaluation of basis functions at quadrature points was bypassed by facilitating precomputed element mass matrices for response matrices. Red-black iterations were improved by introducing a new generalized minimum residual based solver. The memory usage of response matrix storage was significantly reduced by applying basis function rotations on interfaces and calculating volumetric odd-parity moments on the fly. Additionally, the adjoint flux and transient calculation capabilities of the HFEM-PN solver were successfully implemented and verified using the TWIGL benchmark problem. For the DFEM-SN solver, memory footprint and computation time were significantly reduced by not treating angular flux vectors as the MOOSE nonlinear system vectors. Specifically for IQS, scalar adjoint weighting was introduced to further eliminate angular adjoint flux storage in the MOOSE auxiliary system. It was demonstrated through the three-dimensional Advanced Burner Test Reactor core problem that the memory usage for transient calculations with the IQS method was reduced by over 7.5× compared to before the optimizations. For the self-shielding application programming interface, a new double-heterogeneity treatment method, named the Bell Function-Based Analytic Two-Region Slowing Down Method, was developed to efficiently flux-volume homogenize TRISO particles with the matrix. Additionally, optimizations were made to hyper- fine group (HFG) slowing down calculations by pretabulating collision probability coefficients and grouping isotopes, significantly reducing the computational time for calculating scattering sources per HFG. Lastly, the pin power reconstruction module was extended to account for temporal behavior in a microreactor analysis problem, specifically for a control drum transient. Verification tests for each of these improvements demonstrated significant performance enhancements and memory reduction.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Inefficacy of mallard flight responses to approaching vehicles

Vehicle collisions with birds are financially costly and dangerous to humans and animals. To reduce collisions, it is necessary to understand how birds respond to approaching vehicles. We used simulated (i.e., animals exposed to video playback) and real vehicle approaches with mallards (Anas platyrynchos) to quantify flight behavior and probability of collision under different vehicle speeds and times of day (day vs. night). Birds exposed to simulated nighttime approaches exhibited reduced probability of attempting escape, but when escape was attempted, fled with more time before collision compared to birds exposed to simulated daytime approaches. The lower probability of flight may indicate that the visual stimulus of vehicle approaches at night (i.e., looming headlights) is perceived as less threatening than when the full vehicle is more visible during the day; alternatively, the mallard visual system might be incompatible with vehicle lighting in dark settings. Mallards approached by a real vehicle exhibited a delayed margin of safety (both flight initiation distance and time before collision decreased with speed); they are the first bird species found to exhibit this response to vehicle approach. Our findings suggest mallards are poorly equipped to adequately respond to fast-moving vehicles and demonstrate the need for continued research into methods promoting effective avian avoidance behaviors.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2026

Strangeness enhancement at its extremes: multiple (multi-)strange hadron production in pp collisions at $\sqrt{s}=5.02$ TeV

The probability to observe a specific number of strange and multi-strange hadrons (nS), denoted as P(nS), is measured by ALICE at midrapidity (|y| < 0.5) in $$\sqrt{s}=5.02$$ TeV proton-proton (pp) collisions, dividing events into several multiplicity-density classes. Exploiting, for the first time, a technique based on counting the number of strange-particle candidates event-by-event, this measurement allows one to extend the study of strangeness production beyond the mean of the distribution. This constitutes a new test bench for production mechanisms, probing events with a large imbalance between strange and non-strange content. The analysis of a large-statistics data sample makes it possible to extract P(nS) up to a maximum nS of 7 for $${\text{K}}_{\text{S}}^{0}$$, 5 for Λ and $$\overline{\Lambda }$$, 4 for Ξ− and $${\overline{\Xi } }^{+}$$, and 2 for Ω− and $${\overline{\Omega } }^{+}$$. From this, the probability of producing strange hadron multiplets per event is calculated, thereby enabling the extension of the study of strangeness enhancement to extreme situations where several strange quarks hadronize in a single event at midrapidity. Moreover, comparing hadron combinations with different u and d quark compositions and equal overall s quark content, the contribution to the enhancement pattern coming from non-strangeness related mechanisms is isolated. The results are compared with state-of-the-art phenomenological models implemented in commonly used Monte Carlo event generators, including PYTHIA 8 Monash 2013, PYTHIA 8 with QCD-based Color Reconnection and Rope Hadronization (QCD-CR + Ropes), and EPOS LHC, which incorporates both partonic interactions and hydrodynamic evolution. These comparisons show that the new approach dramatically enhances the sensitivity to the different underlying physics mechanisms modeled by each generator.

Abualrob, I J↗

DOE OSTI2026

Molecular dynamics simulations of reflection and sputtering behavior of boron under deuterium ion irradiation

Boronization is a commonly used method of wall conditioning in fusion reactors. The application of boron films to the plasma-facing materials results in enhanced plasma performance due to the reduction of intrinsic impurities. This is primarily driven by a reduction in oxygen content that is chemically trapped in the boron film. The reactive nature of these boron films also raises questions concerning interactions with hydrogen isotopes. In this work, boron-deuterium interactions were studied using molecular dynamics (MD). Reactive force field potentials were used to model the chemical interactions between B and D. An amorphous boron substrate was irradiated by D atoms at varying incident energies, 10 eV < E i < 150 eV and angles, 0° < α < 85°. The reflection probability was calculated and compared to results from the commonly-used binary collision approximation (BCA) method. This comparison found that the BCA underestimated the reflection probability at E i < 35 eV and α > 45 ∘ . The source of this discrepancy was found to be the surface binding energy model. The BCA calculation with an isotropic surface binding energy model was more closely aligned to the MD result. This, in combination with a correction function based on the MD results allows for corrections to the reflection probability of deuterium impinging on boron surfaces. The sputtering of the substrate material was also studied. While this study did not contain sufficient events to quantitatively describe the sputtering behavior, some qualitative results emerged: namely, chemical sputtering of B and D-containing molecules (BD, BD 2 , BD 3 ) at low ( < 20 eV) incident deuterium energies. This result suggests that chemical sputtering could be a significant factor in limiting boron coating lifetime when exposed to lower ion energies, such as those in detached plasmas. The results show that chemical interactions should be taken into account when modeling the interactions between D ions and B surfaces.

Boron↗

DOE OSTI2025

Probability Density Function for the spatial and intensity distribution of neutron-induced defects in Silicon

The ability to model semiconductor device degradation under neutron irradiation depends upon having a robust modeling capability for the neutron-induced collision cascades as well as a means to analytically fit the resulting probability distributions of defect production and ionizing energy deposition for purposes of extrapolation to low-probability, high-consequence scenarios. In this paper, the widely-utilized binary collision approximation codes MARLOWE and SRIM are deployed in conjunction with a critical examination of their parameterizations as benchmarked against higher-fidelity molecular dynamics simulations. A simple 3-parameter form described by the Generalized Logistic Distribution is shown to be a good fit to Frenkel pair and ionization intensity distributions in bulk silicon. The BCA codes are then applied to simulate cascades in 5 nm layers of a representative gate-all-around nanosheet transistor, where joint probability distributions of threshold levels of damage to multiple layers are evaluated.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Real-time scattering in Ising field theory using matrix product states

We study scattering in Ising field theory (IFT) using matrix product states and the time-dependent variational principle. IFT is a one-parameter family of strongly coupled nonintegrable quantum field theories in 1+1 dimensions, interpolating between massive free fermion theory and Zamolodchikov's integrable massive 𝐸 8 theory. Particles in IFT may scatter either elastically or inelastically. In the postcollision wave function, particle tracks from all final-state channels occur in superposition; processes of interest can be isolated by projecting the wave function onto definite particle sectors, or by evaluating energy density correlation functions. Using numerical simulations we determine the time delay of elastic scattering and the probability of inelastic particle production as a function of collision energy. We also study the mass and width of the lightest resonance near the 𝐸 8 point in detail. Close to both the free fermion and 𝐸 8 theories, our results for both elastic and inelastic scattering are in good agreement with expectations from form-factor perturbation theory. Using numerical computations to go beyond the regime accessible by perturbation theory, we find that the high-energy behavior of the two-to-two particle scattering probability in IFT is consistent with a conjecture of Zamolodchikov. Our results demonstrate the efficacy of tensor-network methods for simulating the real-time dynamics of strongly coupled quantum field theories in 1+1 dimensions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Relaxation times for disoriented isospin condensates in high energy heavy ion collisions

Fluctuations between charged and neutral kaons measured by the ALICE Collaboration in Pb-Pb collisions at the CERN Large Hadron Collider (LHC) exceed conventional explanations. Previously it was shown that if the scalar condensate is accompanied by an electrically neutral isospin-1 field then the combination can produce large equilibrium fluctuations where ⟨$\overline{𝑢}$ ⁢𝑢⟩≠⟨ $\overline{𝑑}$𝑑⟩. Hadronizing strange and antistrange quarks might then strongly fluctuate between charged ($\overline{𝑢}$⁢𝑠 or $\overline{𝑠}$⁢𝑢) and neutral (𝑑⁢$\overline{𝑠}$⁢ or 𝑠⁢$\overline{𝑑}$) kaons. Here, we estimate the times for the condensates to achieve their equilibrium probability distributions within causal volumes in high energy heavy ion collisions. This is achieved by modeling the temperature dependence of the condensates, mesonic collective excitations, decay rates of the associated fields, and employing the Langevin and Fokker-Planck equations. Within this model, we find that the equilibration times are short compared with the expansion time, making disoriented isospin condensates a viable explanation for the anomalous fluctuations observed at the LHC.

Quark-gluon plasma↗

DOE OSTI2025

Sticking Coefficients of Fusion Reactor Impurities from Molecular Dynamics Simulations for the Design of Cryopumps

A cryopump can be utilized as an impurity removal component of a direct internal recirculation (DIR) system for the fusion fuel cycle. The DIR facilitates a low fuel inventory by continuously pumping unburnt fuel while removing impurities from the fusion exhaust stream. A cryopump can target multiple impurity species by maintaining a temperature lower than the gas triple-point temperature that promotes desublimation. The desublimation/condensation of gases in cryopumps can be characterized by the sticking coefficient, which is defined as the probability for a gas particle to stick to a (cryo-)surface upon collision. The sticking coefficient is one of the important design/operation parameters for cryopumps, and it depends on a variety of surface and gas properties. Here, in this study, molecular dynamics simulations were utilized to estimate the sticking coefficients of typical fusion gas impurity species N 2 , CO 2 , and CH 4 over a Cu surface for a range of gas temperatures and surface coverages. The molecular dynamics study showed that the sticking coefficients for gases decrease with an increase in gas temperature. The presence of a single full monolayer of condensate on the metallic surface showed an adverse effect on the sticking of gases; however the sticking improved with two full monolayers of condensate on the surface. The sticking of gases over the mixed condensate on a surface was more favorable than the condensate of the same species for N 2 and CH 4 , with an exception for CO 2 , which showed a decrease in sticking over the mixed condensate.

cryopump↗

DOE OSTI2024

Systematic Local Simulations of Fast Neutrino Flavor Conversions with Scattering Effects

We investigate the dynamics of fast neutrino flavor conversions (FFCs) in the one-dimensional (1D) and zero-dimensional (0D) models, in which spatial advection is considered and ignored, respectively. In this study, we employ snapshots obtained by our self-consistent, realistic Boltzmann-neutrino-radiation-hydrodynamics simulations. We show that the FFC growth rate is considerably larger in the 1D model than in the 0D model, as expected from the previous linear analysis results. We find that the momentum space dimension does not significantly influence the neutrino transition probability in 1D models. On the other hand, in the 0D model without collisions, the FFC depends on the momentum space, and the azimuthal angle dependence breaks the periodicity of the FFC. Our study demonstrates that collisional instability can lead to further flavor conversions on a long timescale in 1D models after the asymptotic state of FFC has been reached. Such an effect should be taken into consideration when the fast and collisional flavor instabilities coexist.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Intrinsic charm and the 𝐷 + − 𝐷 − asymmetry produced in proton-proton collisions

We investigate the contribution of the charm-anticharm (𝑐⁢$\overline{𝑐}$) asymmetry of the proton eigenstate obtained from QCD lattice gauge to the asymmetry of 𝐷 + , 𝐷 − and 𝐷 0 , $\overline{𝐷}$ 0 mesons produced in 𝑝⁢𝑝 collisions at large Feynman variables 𝑥. It is shown that an important tool for establishing the intrinsic charm (IC) content of the proton is the charm hadron-antihadron asymmetry formed in 𝑝⁢𝑝 collisions. Predictions for the asymmetry as a function of 𝑥 for different IC probabilities are presented. We show that the interference of the intrinsic |𝑢⁢𝑢⁢𝑑⁢𝑐⁢$\overline{𝑐}$⟩ Fock state with the standard contribution from the perturbative QCD evolution leads to a large 𝐷 + ⁢𝐷 − asymmetry at large Feynman 𝑥.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Analytic Sensitivity Coefficients for Bethe's Solution of the Neutron Slowing Down Equation

Neutron slowing down theory is used to derive expressions for the sensitivity coefficients of the neutron collision density in a hydrogenous infinite medium with respect to the fixed source, scattering probability, and macroscopic nuclear cross sections. Analytic expressions for Bethe’s solution of the neutron slowing down equation are derived for the constant cross section approximation with a point, uniform, and gamma lethargy spectrum. Analytic expressions for the corresponding sensitivity coefficients are derived and used to verify Monte Carlo neutron transport calculations.

Analytic Benchmark↗

DOE OSTI2025

Identification of tau leptons using a convolutional neural network with domain adaptation

A tau lepton identification algorithm,DeepTau, based on convolutional neural network techniques, has been developed in the CMS experiment to discriminate reconstructed hadronic decays of tau leptons (τ h ) from quark or gluon jets and electrons and muons that are misreconstructed as τ h candidates. The latest version of this algorithm, v2.5, includes domain adaptation by backpropagation, a technique that reduces discrepancies between collision data and simulation in the region with the highest purity of genuine τh candidates. Additionally, a refined training workflow improves classification performance with respect to the previous version of the algorithm, with a reduction of 30–50% in the probability for quark and gluon jets to be misidentified as τ h candidates for given reconstruction and identification efficiencies. This paper presents the novel improvements introduced in theDeepTau algorithm and evaluates its performance in LHC proton-proton collision data at √(s) = 13 and 13.6 TeV collected in 2018 and 2022 with integrated luminosities of 60 and 35 fb -1 , respectively. Techniques to calibrate the performance of the τ h identification algorithm in simulation with respect to its measured performance in real data are presented, together with a subset of results among those measured for use in CMS physics analyses.

Large detector-systems performance↗

DOE OSTI2025

Photonuclear tomography in ultraperipheral heavy-ion collisions

We present a theoretical investigation of photonuclear tomography as a novel technique for probing the internal structure of nuclei. In this approach, ultraperipheral heavy-ion collisions (UPCs) serve as a source of intense fluxes of virtual photons, which induce coherent production of vector mesons. By analyzing the probabilities and cross sections of these photon-induced processes, we propose a methodology for reconstructing the spatial distribution of nucleons within the nucleus. Our framework provides a systematic way to access information on the nuclear geometry probed in UPCs, offering new opportunities for studies of nuclear structure using particle production as a probe. Numerical calculations for selected examples illustrate the feasibility and potential of this method.

particle & resonance production↗

DOE OSTI2025

Bayesian reconstruction of anisotropic flow fluctuations at fixed impact parameter

The cumulants of the distribution of anisotropic flow are measured accurately in Pb+Pb collisions at the LHC as a function of centrality classifiers (charged multiplicity and/or transverse energy). Using Bayesian inference, we reconstruct from these measurements the probability distribution of anisotropic flow in the ``theorists' frame'' where the impact parameter has a fixed magnitude and orientation, up to ∼70% centrality. The variation of flow fluctuations with impact parameter displays direct evidence of viscous damping, which is larger for higher Fourier harmonics, in line with expectations from hydrodynamics. We use intensive measures of non-Gaussian flow fluctuations, which have reduced dependence on centrality. Here, we infer from ATLAS data the magnitude of these intensive non-Gaussianities in each Fourier harmonic. They provide data-driven estimates of response coefficients to initial anisotropies, without resorting to any specific microscopic model of initial conditions. These estimates agree with viscous hydrodynamic calculations.

Bayesian methods↗

DOE OSTI2024

Assessment of Bird Strike Likelihood to Refine Bird Strike Risk Models

In its most basic form, bird strike risk is comprised of a frequency component that reflects the likelihood of a collision and a severity component that reflects the cost (monetary or otherwise) of the incident. The bird strike risk model currently used by United State Department of Agriculture (USDA) Wildlife Services to evaluate the risk posed by individual bird species at airports and establish priorities for management was developed in 2018. The model uses airport-specific data on the number of reported strikes for a species recorded in the Federal Aviation Administration (FAA)’s National Wildlife Strike Database as a measure of frequency and the species’ relative hazard score as a measure of severity. The model was tested against independent data, found to perform well overall, and is being implemented widely across the United States. However, the model has limitations, including that species known to pose risk to aircraft locally, but not present in the strike record database, are not reflected as a major component of risk. Standard bird survey methodology commonly used at airports (e.g. point counts or transects) potentially can be used to complement wildlife strike records to calculate frequency or relative abundance of species. However, these methods generally focus on airport-wide population estimation and often ignore vital information that contributes to the true likelihood of a strike, such as use of runway protection zones and other critical areas, and spatial and temporal overlap with departing or approaching aircraft. As such, a more detailed understanding of space use by birds across landcovers and population fluctuations across the year is needed to accurately estimate the likelihood of bird strikes at airports. In this manuscript, we will review the extant risk model, including a discussion on its limitations. We then discuss approaches for refining our understanding of strike likelihood and briefly touch on needs for estimating probability of strike severity (cost).

bird strike, aircraft collision, damage by wildlif↗

DOE OSTI2024

Semi-Lagrangian nodal discontinuous Galerkin method for the BGK model

In this work, we propose a semi-Lagrangian (SL) nodal discontinuous Galerkin (DG) solver for the BGK equation. The BGK model was introduced by Bhatnagar, Gross, and Krook [1] as a relaxation model for the fundamental Boltzmann equation [5], which describes the kinetic dynamic of rarefied gases with a probability distribution function. The challenges of designing efficient numerical schemes for the Boltzmann equation mainly come from its high dimensionality and complicated nonlinear collision operator. The BGK model gains interests since it has much lower computational cost, due to the relatively simple structure of the relaxation operator in replacement of the collision operator, while simultaneously preserving several important physical properties, such as macroscopic quantities and dissipation of entropy.

97 MATHEMATICS AND COMPUTING↗