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DOE OSTI2021

Gas-Phase Stability of Large Lanthanide:Ligand Clusters Evaluated Using Collision-Induced Dissociation

Introduction In the reprocessing of f-elements present in used nuclear fuels, a variety of diglycolamides (DGA’s) are used as extractants for actinide partitioning. In particular, the Actinide-Lanthanide Separation (ALSEP) process typically utilizes either the N,N,N’,N’-tetraoctyl diglycolamide (TODGA) or N,N,N',N'-tetra-2-ethylhexyl diglycolamide (T2EHDGA) extractant ligands following the partitioning of uranium and plutonium from used nuclear fuel. To better understand fundamental interactions in these processes, covalent bonding of several f-elements with diglycolamides, primarily TODGA, is investigated in the gas phase using nanospray ionization and a quadrupole time-of-flight mass spectrometer. Further, analysis of the identity and relative strength of the cluster is enabled by MS2 isolation and collision induced dissociation. Methods Metal ion cluster analysis was completed using a Bruker (Billerica, MA, USA) mircOTOF-Q II quadrupole time-of-flight mass spectrometer with a CaptiveSpray nanospray ion source. Detection was accomplished using positive ionization mode. Metal: ligand solutions were assembled as 30 µM europium nitrate, samarium nitrate, cerium nitrate, or holmium nitrate and 3 µM DGA in acetonitrile or a 50:50 mixture of acetonitrile: isopropanol. Preliminary data The samarium cluster experiments yielded clusters with a samarium:TODGA ratio of up to 1:7 able to be isolated and evidence of greater ratios present in the mass spectrum. This is surprising, as metal clusters are not expected to have a coordination space able to accommodate this many TODGA ligands, due to its size and tridenticity. Collisional activation of [Sm(TODGA)3]3+ suggested loss of a TODGA radical cation, in addition to ligand fragmentation. In contrast, activation of clusters with higher Sm:TODGA ratios resulted in loss of entire ligands, with no evidence of fragmentation. A lower collision energy was required to remove ligands as the number of bound TODGAs increased, suggesting that in larger clusters, ligands are more delicately complexed to the metal. In addition, several clusters were observed with the composition [Sm(NO3)x(TODGA)n x]+3 x. With a single nitrate ion, clusters with up to six TODGAs were able to be isolated. In a similar pattern to the samarium clusters containing only TODGA, less collision energy was required to eliminate one or more TODGAs with increasing size. Clusters with composition [Sm(NO3)(TODGA)n-1]2+ appeared in lower abundance and were more collisionally stable than [Sm(TODGA)n]3+ clusters. With two nitrate ions, only clusters with a single TODGA were able to be isolated. Analogous europium experiments resulted in similar clusters. Ratios of up to 1:7 Eu:TODGA and clusters with one nitrate and up to five TODGAs were isolated. In clusters with two nitrate ions, only one or two TODGAs were observed to be bound. Similar to samarium, MS2 experiments with the Eu clusters suggested that larger clusters required less collision energy to eliminate TODGA. Europium clusters with the composition [Eu(NO3)(TODGA)n-1]2+ were observed in greater abundance and with greater stability than the equivalent cluster with the composition [Eu(TODGA)n]3+. Novel Aspect These are the first reported Ln:TODGA clusters, allowing us to begin to investigate intrinsic complexation of lanthanides with process-relevant ligands.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

New Tests of Low-Scale Quantum Gravity with Cosmic-Ray Collisions

Cosmic ray collisions at high center of mass energy could enable graviton and black hole production as expected in theories of low-scale quantum gravity, such as extra-dimensions, many species, or some versions of string theory. Here we propose three novel phenomenological tests of these theories. We first consider the collision of cosmic rays with ambient protons, electrons and photons in Active Galactic Nuclei (AGN), finding that high-energy neutrino data from the blazar TXS 0506+056 places a constraint on the fundamental scale of gravity of $M_f \gtrsim 0.3$ TeV, and future high-energy neutrino data could raise this bound to $M_f \gtrsim 200$ TeV. We then point out that collisions of pairs of cosmic rays could occur at a sizable rate in AGN where the accelerated cosmic rays are not collimated, or on supermassive black hole binaries. This consideration could potentially let us test unprecedented large fundamental scales of $M_f \gtrsim 2$ PeV. We further compute the corresponding thermal neutrino emission arising from the Hawking evaporation of black holes produced in cosmic ray collisions, finding a spectrum that clearly differs from that expected in meson decays. Finally, we speculate with an scenario which would produce high-energy neutrino and gamma-ray emission from regions in the sky where no multi-wavelength counterparts would be expected, via graviton propagation from a different brane, which then decays in our Universe.

Ettengruber, Manuel [IPhT, Saclay]↗

DOE OSTI2026

Probing early parton emissions in heavy ion collisions using the Lund jet plane

In scattering experiments, high-virtuality partons, i.e., quarks and gluons, initiate a series of additional parton emissions to create collimated sprays of particles known as jets. This paper presents a measurement of the Lund jet plane (LJP) of high-energy jets produced in lead-lead (PbPb) collisions and compares the results to data for proton-proton (pp) collisions. The LJP is formed by iteratively declustering the constituents of a jet into consecutive emissions and recording the relative transverse momentum ($k_\mathrm{T}$) and angle of the resulting emission with respect to its emitter. The angular distributions of two different $k_\mathrm{T}$ slices of the LJP are investigated for jets with radius parameter of 0.4 and transverse momentum in the range 200$-$1000 GeV. The PbPb (pp) data were recorded by the CMS experiment in 2018 (2017) and correspond to an integrated luminosity of 1.7 nb$^{-1}$ (301 pb$^{-1}$) at a nucleon-nucleon center-of-mass energy of 5.02 TeV. The measurement was designed to test whether the earliest jet emissions are produced before the formation of the quark-gluon plasma (QGP) in PbPb collisions. Within the experimental uncertainties, no significant difference is observed between the angular distribution of high-$k_\mathrm{T}$ emissions in \pp and PbPb collisions, which is consistent with these emissions occurring early in the jet evolution, before substantial interaction with the QGP.

Belyaev, Andrey [Yerevan Phys. Inst.] (ORCID:00000↗

DOE OSTI2023

Search for the chiral magnetic effect in Au+Au collisions at $\sqrt{s_{NN}}$ = 27 GeV with the STAR forward event plane detectors

A decisive experimental test of the Chiral Magnetic Effect (CME) is considered one of the major scientific goals at the Relativistic Heavy-Ion Collider (RHIC) towards understanding the nontrivial topological fluctuations of the Quantum Chromodynamics vacuum. In heavy-ion collisions, the CME is expected to result in a charge separation phenomenon across the reaction plane, whose strength could be strongly energy dependent. The previous CME searches have been focused on top RHIC energy collisions. In this Letter, we present a low energy search for the CME in Au+Au collisions at $\sqrt{s_{NN}}$ = 27 GeV. We measure elliptic flow scaled charge-dependent correlators relative to the event planes that are defined at both mid-rapidity |η| < 1.0 and at forward rapidity 2.1 < |η| < 5.1. We compare the results based on the directed flow plane ( $Ψ$ 1 ) at forward rapidity and the elliptic flow plane ( $Ψ$ 2 ) at both central and forward rapidity. The CME scenario is expected to result in a larger correlation relative to $Ψ$ 1 than to $Ψ$ 2 , while a flow driven background scenario would lead to a consistent result for both event planes. In 10-50% centrality, results using three different event planes are found to be consistent within experimental uncertainties, suggesting a flow driven background scenario dominating the measurement. We obtain an upper limit on the deviation from a flow driven background scenario at the 95% confidence level. This work opens up a possible road map towards future CME search with the high statistics data from the RHIC Beam Energy Scan Phase-II.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

One-center close-coupling approach to two-center rearrangement collisions

Calculations of ionization and electron-capture cross sections in ion-atom collisions usually require solving the Schrödinger equation governing the collision system by expanding the total scattering wave function in a basis of target- and projectile-centered pseudostates. This approach leads to the two-center close-coupling equations which in some cases may become ill-conditioned due to the non-orthogonality of the underlying combined basis. Here we develop a technique which allows to accurately extract the necessary collision information, including that for the rearrangement channels, from the computationally more convenient one-center close-coupling equations which are built from only target-centered pseudostates. The robustness of the method is demonstrated by considering the proton-hydrogen scattering problem across a wide incident energy range. The developed method is then applied to study proton scattering on multielectron target of lithium. Here, the obtained results for the 2s → 2p excitation and the total electron-capture cross sections are in good agreement with corresponding experimental data. It is concluded that the presented technique could be a simpler alternative when integrated cross sections are required.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2020

Bulk properties of the system formed in Au + Au collisions at s N N = 14.5 GeV at the BNL STAR detector

We report systematic measurements of bulk properties of the system created in Au+Au collisions at √ S NN = 14.5 GeV recorded by the STAR detector at the Relativistic Heavy Ion Collider (RHIC). The transverse momentum spectra of π ± , K ± and p(p¯) are studied at mid-rapidity (|y| < 0.1) for nine centrality intervals. The centrality, transverse momentum (p T ), and pseudorapidity (η) 3 dependence of inclusive charged particle elliptic flow (v 2 ), and rapidity-odd charged particles directed flow (v 1 ) results near mid-rapidity are also presented. These measurements are compared with the published results from Au+Au collisions at other energies, and from Pb+Pb collisions at √ S NN =2.76 TeV. The results at √ S NN = 14.5 GeV show similar behavior as established at other energies and fit well in the energy dependence trend. Furthermore, these results are important as the 14.5 GeV energy fills the gap in μ B, which is of the order of 100 MeV, between √ S NN =11.5 and 19.6 GeV. Comparisons of the data with UrQMD and AMPT models show poor agreement in general.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Entanglement enabled intensity interferometry in ultrarelativistic ultraperipheral nuclear collisions

An important tool in studying the subfemtoscale spacetime structure of matter in ultrarelativistic heavy-ion collisions is Hanbury Brown–Twiss (HBT) intensity interferometry of identical particles in the final state of the collisions. We propose that a variant of the entanglement enabled intensity interferometry (𝐸 2 ⁢𝐼 2 ) framework introduced by Cotler and Wilczek can provide a powerful alternative to HBT interferometry in extracting fundamental nonperturbative features of quantum chromodynamics at high energies. We apply this framework to demonstrate that the spatial distributions of color singlet (pomeron) configurations in nuclei are sensitive to measurements of exclusive resonant decays of 𝜌 mesons into 𝜋 ± pairs in ultrarelativistic ultraperipheral nuclear collisions (UPCs) at the Relativistic Heavy Ion Collider and the Large Hadron Collider. A preliminary analysis suggests that the model-independent extraction of pomeron distributions will require careful treatment of the interplay of 𝐸 2 ⁢𝐼 2 in the vector meson exclusive decay with the incoherent cross section for exclusive vector meson production. The 𝐸 2 ⁢𝐼 2 framework developed here is quite general. It can also be employed as a tool to extract information on the spin structure of pomeron couplings as well as enhance the discovery potential for rare odderon configurations from exclusive vector meson decays into few-particle final states both in UPCs and at the Electron-Ion Collider.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRSDate not supplied

COBRA-DDP: Trajectory Generation and Collision Avoidance Augmentations for eVTOL Vehicles

This paper presents a receding horizon model predictive control variation of the combined Bernstein polynomial optimal reciprocal collision avoidance (ORCA) differential dynamic programming (COBRA-DDP) algorithm for AAM vehicles. Collision avoidance in combination with effective trajectory replanning are expected to be core components of AAM vehicles operating within a crowded airspace. This environment necessitates the use of real-time trajectory planning algorithms that are capable of planning around large amounts of stationary and moving obstacles. Previous work on COBRA-DDP demonstrated the capability of the algorithm to produce dynamically feasible trajectories for AAM vehicles and general collision avoidance. This paper improves upon the previous work by increasing the number of stationary and moving obstacles, implementing a variation of COBRA-DDP that lends itself to real-time application. These advancements are demonstrated on a vertical takeoff and landing (VTOL) vehicle simulation with highly nonlinear vehicle dynamics.

COBRA-DDP↗

NASA NTRSDate not supplied

COBRA-DDP: Trajectory Generation and Collision Avoidance Augmentations for eVTOL Vehicles

COBRA-DDP↗

DOE OSTI2020

Measurement of nuclear effects on ψ(2S) production in p-Pb collisions at $ \sqrt{s_{\mathrm{NN}}}$ = 8.16 TeV

Inclusive ψ (2S) production is measured in p-Pb collisions at the centre-of-mass energy per nucleon-nucleon pair $ \sqrt{s_{\mathrm{NN}}} $ = 8.16 TeV, using the ALICE detector at the CERN LHC. The production of ψ (2S) is studied at forward (203 < y cms < 3 . 53) and backward (-4.46 < y cms < -2.96) centre-of-mass rapidity and for transverse momentum p T < 12 GeV/ c via the decay to muon pairs. In this paper, we report the integrated as well as the y cms - and p T -differential inclusive production cross sections. Nuclear effects on ψ (2S) production are studied via the determination of the nuclear modification factor that shows a strong suppression at both forward and backward centre-of-mass rapidities. Comparisons with corresponding results for inclusive J/ ψ show a similar suppression for the two states at forward rapidity (p-going direction), but a stronger suppression for ψ (2S) at backward rapidity (Pb-going direction). As a function of p T , no clear dependence of the nuclear modification factor is found. The relative size of nuclear effects on ψ (2S) production compared to J/ ψ is also studied via the double ratio of production cross sections [ σ ψ (2S) /σ J /ψ ]pPb/[ σ ψ (2S) /σ J /ψ ] pp between p-Pb and pp collisions. The results are compared with theoretical models that include various effects related to the initial and final state of the collision system and also with previous measurements at $ \sqrt{s_{\mathrm{NN}}} $ = 5.02 TeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Evolution of microstructures in radiation fields using a coupled binary-collision Monte Carlo phase field approach

The simulation of radiation effects in materials broadly falls into two categories. At short time and length scales lies the modeling of primary radiation damage, such as point defect creation, energy deposition, and ballistic mixing. This is followed by the modeling at longer time scales of thermally activated microstructure evolution and defect reactions, such as recombination, clustering, and coarsening. The binary collision Monte Carlo method is an established, numerically efficient method for the computation of primary radiation damage. Conversely, the phase field method is a state of the art method for microstructure evolution on longer time and length scales. Here we present a concurrent coupling of these two methods, overcoming the difference between the discrete object Monte Carlo paradigm for primary radiation damage and the continuum field variable approach for microstructure evolution. The coupling is bidirectional, in which the microstructure evolution in the MOOSE finite element frame- work provides the spatial scattering data set for the charged particle trans- port and receives point defect, mass transport, and heat source terms from the simulated collision cascades that contribute to the field variable evolution. The concurrent coupling scheme is implemented in the code Magpie and demonstrated by investigating patterning for a model irradiated immiscible binary alloy. The results from the coupled binary collision Monte Carlo/phase field simulations reproduce the results of analytical models for phase separation, phase mixing, and patterning, supporting the approach and indicating its utility for modeling real materials systems.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Multi-species collisions for delta-f gyrokinetic simulations: Implementation and verification with GENE

we report a multi-species linearized collision operator based on the model developed by Sugama et al. has been implemented in the nonlinear gyrokinetic code, GENE. Such a model conserves particles, momentum, and energy to machine precision, and is shown to have negative definite free energy dissipation characteristics, satisfying Boltzmann’s H-theorem, including for realistic mass ratio. Finite Larmor Radius (FLR) effects have also been implemented into the local version of the code. For the global version of the code, the collision operator has been developed to allow for block-structured velocity space grids, allowing for computationally tractable collisional global simulations. The validity of the collision operator has been demonstrated by relaxation and conservation tests, as well as appropriate benchmarks. The newly implemented operator shall be used in future simulations to study magnetically confined fusion plasma turbulence and transport in more extreme regions with higher collisionality.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Anisotropic fluid dynamical simulations of heavy-ion collisions

We present VAH, a (3+1)–dimensional simulation that evolves the far-from-equilibrium quark-gluon plasma produced in ultrarelativistic heavy-ion collisions with anisotropic fluid dynamics. We solve the hydrodynamic equations on an Eulerian grid using the Kurganov–Tadmor algorithm in combination with a new adaptive Runge–Kutta method. Our numerical scheme allows us to start the simulation soon after the nuclear collision, largely avoiding the need to integrate it with a separate pre-equilibrium dynamics module. We test the code's performance by simulating on the Eulerian grid conformal and non-conformal Bjorken flow as well as conformal Gubser flow, whose (0+1)–dimensional solutions are precisely known. Finally, we compare non-conformal anisotropic hydrodynamics to second-order viscous hydrodynamics in central Pb+Pb collisions and find that the former's longitudinal flow profile responds more consistently to the fluid's gradients along the spacetime rapidity direction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Neural-network based collision operators for the Boltzmann equation

Kinetic gas dynamics in rarefied and moderate-density regimes have complex behavior associated with collisional processes. These processes are generally defined by convolution integrals over a high-dimensional space (as in the Boltzmann operator), or require evaluating complex auxiliary variables (as in Rosenbluth potentials in Fokker-Planck operators) that are challenging to implement and computationally expensive to evaluate. In this work, we develop a data-driven neural network model that augments a simple and inexpensive BGK collision operator with a machine-learned correction term, which improves the fidelity of the simple operator with a small overhead to overall runtime. The composite collision operator has a tunable fidelity and, in this work, is trained using and tested against a direct-simulation Monte-Carlo (DSMC) collision operator.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Healing of nanocracks by collision cascades in nickel

We use molecular dynamics simulations to investigate the interaction between collision cascades and pre-existing nano-cracks in nickel (Ni). We find that collision cascades cause the cracks to heal whenever a cascade initiates a thermal spike whose core overlaps with the crack. Moreover, crack healing affects the distribution of radiation-induced defects generated during a collision cascade: defect clusters, such as dislocations and stacking fault tetrahedra, dominate in the presence of crack healing, while isolated point defects dominate in its absence. Furthermore, this work indicates that irradiation may reduce the number of pre-existing crack-like flaws in metallic components, potentially improving their mechanical resilience.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Continuous evolution of electromagnetic field in heavy-ion collisions

In relativistic heavy-ion collisions the electromagnetic field exists before the hot nuclear matter emergence. Requiring the field continuity, we compute it in the central rapidity region by taking into account the electromagnetic response of the Quark Gluon Plasma. We show that the electromagnetic field is nearly time-independent from about 1 fm/c after the collision until the freezeout. In particular, its value is about 10% of the initial magnitude of the magnetic field. In conclusion, our result provides a theoretical basis for the common assumption that the electromagnetic field produced in relativistic heavy-ion collisions varies slowly with time.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Results on elastic cross sections in proton–proton collisions at $\sqrt{s}$ = 510 GeV with the STAR detector at RHIC

We report results on an elastic cross section measurement in proton–proton collisions at a center-of-mass energy $\sqrt{s}$ = 510 GeV, obtained with the Roman Pot setup of the STAR experiment at the Relativistic Heavy Ion Collider (RHIC). The elastic differential cross section is measured in the four-momentum transfer squared range 0.23 ≤ −t ≤ 0.67 GeV 2 . This is the only measurement of the proton-proton elastic cross section in this t range for collision energies above the Intersecting Storage Rings (ISR) and below the Large Hadron Collider (LHC) colliders. We find that a constant slope B does not fit the data in the aforementioned t range, and we obtain a much better fit using a second-order polynomial for B(t). This is the first measurement below the LHC energies for which the non-constant behavior B(t) is observed. The t dependence of B is also determined using six subintervals of t in the STAR measured t range, and is in good agreement with the phenomenological models. The measured elastic differential cross section dσ/dt agrees well with the results obtained at $\sqrt{s}$ = 540 GeV for proton–antiproton collisions by the UA4 experiment. We also determine that the integrated elastic cross section within the STAR t-range is σ$^{fid}_{el}$ = 462.1 ± 0.9(stat.) ± 1.1(syst.) ± 11.6(scale) μb.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

Multiplicity dependence of K*(892) ± production in pp collisions at $\sqrt{s}$ = 13 TeV

The first results of K*(892) ± production at midrapidity (|y| < 0.5) in pp collisions at $\sqrt{s}$= 13 TeV as a function of the event multiplicity are presented. The K*(892) ± has been reconstructed via its hadronic decay channel K*(892) ± → π ± + K$^0_{\textrm{S}}$ using the ALICE detector at the LHC. For each multiplicity class, the differential transverse momentum (p T ) spectrum, the mean transverse momentum ⟨p T ⟩, the p T -integrated yield (dN/dy), and the ratio of the K*(892) ± to K$^0_{\textrm{S}}$ yields are reported. These are consistent with previous K*(892) 0 resonance results with a higher level of precision. Comparisons with phenomenological models such as PYTHIA6, PYTHIA8, EPOS-LHC, and DIPSY are also discussed. For the first time, a significant K*(892) ± /K$^0_{\textrm{S}}$ suppression in pp collisions is observed at a 7σ level passing from low to high multiplicity events. The ratios of the p T -differential yields of K*(892) ± and K$^0_{\textrm{S}}$ in high and low multiplicity events are also presented along with their double ratio. For p T ≲ 2 GeV/c this double ratio persists below unity by more than 3σ suggesting that the suppression affects mainly low p T resonances. The measured decreasing trend of the K*(892) ± /K$^0_{\textrm{S}}$ ratio with increasing multiplicity, which in heavy-ion collisions is typically attributed to the rescattering of decay particles of the short-lived resonances, is reproduced by the EPOS-LHC model without the use of hadronic afterburners.

Hadronic resonance production↗