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At least 109 records · Page 6

GEAR-MC and Differential-Operator Methods Applied to Electron-Photon Transport in the Integrated TIGER Series

The sensitivity analysis algorithms that have been developed by the radiation transport community in multiple neutron transport codes, such as MCNP and SCALE, are extensively used by fields such as the nuclear criticality community. However, these techniques have seldom been considered for electron transport applications. In the past, the differential-operator method with the single scatter capability has been implemented in Sandia National Laboratories’ Integrated TIGER Series (ITS) coupled electron-photon transport code. This work is meant to extend the available sensitivity estimation techniques in ITS by implementing an adjoint-based sensitivity method, GEAR-MC, to strengthen its sensitivity analysis capabilities. To ensure the accuracy of this method being extended to coupled electron-photon transport, it is compared against the central-difference and differential-operator methodologies to estimate sensitivity coefficients for an experiment performed by McLaughlin and Hussman. Energy deposition sensitivities were calculated using all three methods, and the comparison between them has provided confidence in the accuracy of the newly implemented method. Unlike the current implementation of the differential-operator method in ITS, the GEAR-MC method was implemented with the option to calculate the energy-dependent energy deposition sensitivities, which are the sensitivity coefficients for energy deposition tallies to energy-dependent cross sections. The energy-dependent cross sections could be the cross sections for the material, elements in the material, or reactions of interest for the element. Further, these sensitivities were compared to the energy-integrated sensitivity coefficients and exhibited a maximum percentage difference of 2.15%.

42 ENGINEERING↗

Probing transverse momentum dependent structures with azimuthal dependence of energy correlators

We study the azimuthal angle dependence of the energy-energy correlators $\langle \mathcal{E}\left({\widehat{n}}_{1}\right)\mathcal{E}\left({\widehat{n}}_{2}\right)\rangle $ in the back-to-back region for e + e - annihilation and deep inelastic scattering (DIS) processes with general polarization of the proton beam. We demonstrate that the polarization information of the beam and the underlying partons from the hard scattering is propagated into the azimuthal angle dependence of the energy-energy correlators. In the process, we define the Collins-type EEC jet functions and introduce a new EEC observable using the lab-frame angles in the DIS process. Furthermore, we extend our formalism to explore the two-point energy correlation between hadrons with different quantum numbers ${\mathbb{S}}_{i}$ in the back-to-back limit $\langle {\mathcal{E}}_{{\mathbb{S}}_{1}}\left({\widehat{n}}_{1}\right){\mathcal{E}}_{{\mathbb{S}}_{2}}\left({\widehat{n}}_{2}\right)\rangle $. We find that in the Operator Product Expansion (OPE) region the nonperturbative information is entirely encapsulated by a single number. Using our formalism, we present several phenomenological studies that showcase how energy correlators can be used to probe transverse momentum dependent structures.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Temperature-dependent solvent reorganization entropies, free energies, and transition dipole strengths for the photoexcitation of Reichardt’s dye B30

Absorption spectra of the solvatochromic dye 2,6-diphenyl-4-2,4,6-triphenyl-1-pyridinophenolate (B30) were measured in seven solvents of varying polarity over temperature ranging from each solvent’s freezing point to 300 K. The excitation energies and their variances allowed calculations of the solvent reorganization energies, reorganization free energies and reorganization entropies as functions of temperature. The entropies of solvent packing around the chromophore are found to make major contributions to the reorganization free energies. The variances of the excitation energies depend only weakly on temperature, in disagreement with an expression that is often used for solvent reorganization free energies. Polar solvents reduce the transition dipole strength of B30’s long-wavelength absorption band, probably because interactions with the solvent enhance the charge-transfer character of the transition. The dipole strength drops further at low temperatures.

Chemistry↗

Case studies of the time-dependent potential energy surface for dynamics in cavities

Here, the exact time-dependent potential energy surface driving the nuclear dynamics was recently shown to be a useful tool to understand and interpret the coupling of nuclei, electrons, and photons in cavity settings. Here, we provide a detailed analysis of its structure for exactly solvable systems that model two phenomena: cavity-induced suppression of proton-coupled electron-transfer and its dependence on the initial state, and cavity-induced electronic excitation. We demonstrate the inadequacy of simply using a weighted average of polaritonic surfaces to determine the dynamics. Such a weighted average misses a crucial term that redistributes energy between the nuclear and the polaritonic systems, and this term can in fact become a predominant term in determining the nuclear dynamics when several polaritonic surfaces are involved. Evolving an ensemble of classical trajectories on the exact potential energy surface reproduces the nuclear wavepacket quite accurately, while evolving on the weighted polaritonic surface fails after a short period of time. The implications and prospects for application of mixed quantum-classical methods based on this surface are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Assessment of the polygeneration approach in wastewater treatment plants for enhanced energy efficiency and green hydrogen/ammonia production

Wastewater treatment plants (WWTPs) offer opportunities to optimize resource utilization and enhance energy efficiency. Here, this study provides a comprehensive analysis of using the polygeneration approach in WWTPs to reduce grid energy dependence, optimize energy distribution, and utilize surplus energy for hydrogen (H 2 ) and ammonia (NH 3 ) production. Several models were employed, including photovoltaic (PV) cells, parabolic trough collectors (PTCs), steam methane reforming, and polymer electrolyte membranes, to assess the feasibility of this approach. Three scenarios were evaluated and compared: Scenario 1 (Baseline) represents the current situation, Scenario 2 maximizes the Net Present Value (NPV), and Scenario 3 minimizes NH 3 production costs. Real data from As-Samra WWTP in Jordan was used to accurately assess the feasibility of each scenario. The results show that Scenario 2 offers the highest profitability and efficiency, with a NPV of 87.48 million USD and an annual NH 3 production of 15,417 tons, reducing both grid dependency and biogas fuel consumption. Both Scenarios 2 and 3 demonstrate the ability to meet thermal demands efficiently while generating significant revenue from NH 3 production. Scenario 3, in particular, achieves competitive H 2 and NH 3 production costs. Environmentally, Scenario 2 significantly reduces annual greenhouse gas emissions by 12.66 kilotons of CO 2eq , with near-zero carbon intensity for thermal energy due to solar reliance. In conclusion, the polygeneration approach offers a promising pathway for WWTPs to achieve greater sustainability, economic gains, and reduced environmental impact, providing valuable insights for decision-makers.

42 ENGINEERING↗

Evidence of Mass Ordering of Charm and Bottom Quark Energy Loss in Au+Au Collisions at RHIC

Abstract Partons traversing the strongly interacting medium produced in heavy-ion collisions are expected to lose energy depending on their color charge and mass. We measure the nuclear modification factors for charm- and bottom-decay electrons, defined as the ratio of yields, divided by the number of binary nucleon–nucleon collisions, in $$\sqrt{s_{\textrm{NN}}}=200$$ s NN = 200 GeV Au+Au collisions to p + p collisions ( $$R_{\textrm{AA}}$$ R AA ), or in central to peripheral Au+Au collisions ( $$R_{\textrm{CP}}$$ R CP ). We find the bottom-decay electron $$R_{\textrm{AA}}$$ R AA and $$R_{\textrm{CP}}$$ R CP to be significantly higher than those of charm-decay electrons. Model calculations including mass-dependent parton energy loss in a strongly coupled medium are consistent with the measured data. These observations provide evidence of mass ordering of charm and bottom quark energy loss when traversing through the strongly coupled medium created in heavy-ion collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Gray two-moment neutrino transport: Comprehensive tests and improvements for supernova simulations

Aims. In this work we extended an energy-integrated neutrino transport method to facilitate efficient, yet precise, modeling of compact astrophysical objects. We particularly focus on core-collapse supernovae. Methods. We implemented a gray neutrino-transport framework from the literature into FLASH and performed a detailed evaluation of its accuracy in core-collapse supernova simulations. Based on comparisons with results from simulations using energy-dependent neutrino transport, we incorporated several improvements to the original scheme. Results. Our analysis shows that our gray neutrino transport method successfully reproduces key aspects from more complex energy-dependent transport across a variety of progenitors and equations of state. We find both qualitative and reasonable quantitative agreement with multi-group M1 transport simulations. However, the gray scheme tends to slightly favor shock revival. In terms of gravitational wave and neutrino signals, there is a good alignment with the energy-dependent transport, although we find 15–30% discrepancies in the average energy and luminosity of heavy-lepton neutrinos. Simulations using the gray transport are around four times faster than those using energy-dependent transport.

Astronomy & Astrophysics↗

Evaluation of neutron dosimetry capabilities with the MC-15 portable multiplicity counter

This work proposes a preliminary neutron dose rate estimation method for a neutron multiplicity detector through measurement- and simulation-based analyses. Uncharacterized neutron-emitting sources may be encountered in situations such as nuclear emergency response, safeguards, and treaty verification. These circumstances may present irradiation risk to personnel conducting field assay, search, and characterization measurements. It is therefore of interest to provide a field neutron dosimetry capability with the existing neutron multiplicity counting (NMC) capabilities. To date, no commercially-available neutron detection systems are capable of both accurate NMC and real-time neutron dosimetry. This work will focus on estimating dose rate using input from a single fielded NMC called the MC-15. The energy-dependent neutron detection efficiency response of the MC-15 was quantified in monoenergetic neutron simulations and evaluated in response to two neutron-emitting sources and to a polyethylene-moderated source. The results were compared to existing neutron dosimeters and established the proof of concept for further investigation of the MC-15 for dose estimation. Measurement results were also replicated in simulations; additional simulations were then conducted to expand upon the limited empirical data. The initial empirical results provided a conversion factor appropriate for use when measuring 252 Cf neutrons that is independent of polyethylene shielding presence and thickness. The simulated data sets were then used to evaluate a fit equation allowing estimation of the neutron dose rate for less restricted geometric configurations and dependent only on the distance between the source and the detector. Additionally, the energy dependence of the efficiency response indicates that further empirical evaluations could provide energy-dependent conversion factors for broader neutron dosimetry capabilities with a wider range of neutron-emitting sources.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Delving into the depths of NGC 3783 with XRISM II. Cross-calibration of X-ray instruments used in the large, multi-mission observational campaign

Context. Accurate X-ray spectroscopic measurements are fundamental for deriving basic physical parameters of the most abundant baryon components in the Universe. The plethora of X-ray observatories currently operational enables a panchromatic view of the high-energy emission of celestial sources. However, uncertainties in the energy-dependent calibration of the instrument transfer functions (e.g. the effective area, energy redistribution, or gain) can limit - and historically, did limit - the accuracy of X-ray spectroscopic measurements. Aims. We revised the status of the cross-calibration among the scientific payload on board four operation missions: Chandra, NuSTAR, XMM-Newton, and the recently launched XRISM. XRISM carries the micro-calorimeter Resolve, which yields the best energy resolution at energies ≥2 keV. For this purpose, we used the data from a 10-day-long observational campaign targeting the nearby active galactic nucleus NGC 3783, carried out in July 2024. Methods. We present a novel model-independent method for assessing the cross-calibration status that is based on a multi-node spline of the spectra with the highest-resolving power (XRISM/Resolve in our campaign). We also estimated the impact of the intrinsic variability of NGC 3783 on the cross-calibration status due to the different time coverages of participating observatories and performed an empirical reassessment of the Resolve throughput at low energies. Results. Based on this analysis, we derived a set of energy-dependent correction factors of the observed responses, enabling a statistically robust analysis of the whole spectral dataset. They will be employed in subsequent papers describing the astrophysical results of the campaign. Aims. We revised the status of the cross-calibration among the scientific payload on board four operation missions: Chandra, NuSTAR, XMM-Newton, and the recently launched XRISM. XRISM carries the micro-calorimeter Resolve, which yields the best energy resolution at energies ≥2 keV. For this purpose, we used the data from a 10-day-long observational campaign targeting the nearby active galactic nucleus NGC 3783, carried out in July 2024. Methods. We present a novel model-independent method for assessing the cross-calibration status that is based on a multi-node spline of the spectra with the highest-resolving power (XRISM/Resolve in our campaign). We also estimated the impact of the intrinsic variability of NGC 3783 on the cross-calibration status due to the different time coverages of participating observatories and performed an empirical reassessment of the Resolve throughput at low energies. Results. Based on this analysis, we derived a set of energy-dependent correction factors of the observed responses, enabling a statistically robust analysis of the whole spectral dataset. They will be employed in subsequent papers describing the astrophysical results of the campaign.

Active Galactic Nuclei, individual: NGC 3783↗

Toward monochromated sub-nanometer UEM and femtosecond UED

A preliminary design of a mega-electron-volt (MeV) monochromator with 10 –5 energy spread for ultrafast electron diffraction (UED) and ultrafast electron microscopy (UEM) is presented. Such a narrow energy spread is advantageous in both the single shot mode, where the momentum resolution in diffraction is improved, and the accumulation mode, where shot-to-shot energy jitter is reduced. In the single-shot mode, we numerically optimized the monochromator efficiency up to 13% achieving 1.3 million electrons per pulse. In the accumulation mode, to mitigate the efficiency degradation caused by the shot-to-shot energy jitter, an optimized gun phase yields only a mild reduction of the single-shot efficiency, therefore the number of accumulated electrons nearly proportional to the repetition rate. Inspired by the recent work of Qi et al. (Phys Rev Lett 124:134803, 2020), a novel concept of applying reverse bending magnets to adjust the energy-dependent path length difference has been successfully realized in designing a MeV monochromator to achieve the minimum energy-dependent path length difference between cathode and sample. Thanks to the achromat design, the pulse length of the electron bunches and the energy-dependent timing jitter can be greatly reduced to the 10 fs level. The introduction of such a monochromator provides a major step forward, towards constructing a UEM with sub-nm resolution and a UED with ten-femtosecond temporal resolution. The one-to-one mapping between the electron beam parameter and the diffraction peak broadening enables a real-time nondestructive diagnosis of the beam energy spread and divergence. The tunable electric–magnetic monochromator allows the scanning of the electron beam energy with a 10 –5 precision, enabling online energy matching for the UEM, on-momentum flux maximizing for the UED and real-time energy measuring for energy-loss spectroscopy. A combination of the monochromator and a downstream chicane enables “two-color” double pulses with femtosecond duration and the tunable delay in the range of 10 to 160 fs, which can potentially provide an unprecedented femtosecond time resolution for time resolved UED.

36 MATERIALS SCIENCE↗

Extension of the discrete generalized multigroup method using SPH factors

The discrete generalized multigroup (DGM) method provides a way to treat the energy dependence of neutron transport similarly to the standard multigroup approximation. However, DGM uses an orthogonal basis to retain the energy dependence in higher-order terms. Using correction factors similar to traditional Superhomogénéisation (SPH) factors, the DGM method may be extended to produce cross sections that are homogenized over both space and energy. Additionally, since some fine-group energy dependence is retained, the resulting homogenized cross sections are more problem-independent than cross sections homogenized by SPH factors alone. In particular, a 44-group set of cross sections is collapsed to approximately a 1% error in the pincell fission densities for a test problem using three DOF per coarse energy group.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

3D multi-system Bayesian calibration with energy conservation to study rapidity-dependent dynamics of nuclear collisions

Considerable information about the early-stage dynamics of heavy ion collisions is encoded in the rapidity dependence of measurements. To leverage the large amount of experimental data, we perform a systematic analysis using three-dimensional hydrodynamic simulations of multiple collision systems — large and small, symmetric and asymmetric. Specifically, we perform fully 3D multi-stage hydrodynamic simulations initialized by a parameterized model for rapidity-dependent energy deposition, which we calibrate on the hadron multiplicity and anisotropic flow coefficients. We utilize Bayesian inference to constrain properties of the early- and late-time dynamics of the system, and highlight the impact of enforcing global energy conservation in our 3D model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Modeling the Dynamics of Energetic Protons in Earth's Inner Magnetosphere

Recently, Van Allen Probes data have revealed the interesting energy-dependent dynamics of energetic protons in Earth's inner magnetosphere. To quantify the role of radial diffusion and charge exchange to the observed energy-dependent dynamics of ring current protons, a 1D radial diffusion model with charge exchange loss is implemented. The observed proton flux over the long-term period of November 2012 to September 2013 is first converted to phase space densities, which are then simulated by our model driven by an outer boundary condition at L* = 5.5 derived from the data. The simulation results show that our model generally captures the transport and acceleration of energetic protons at μ = 30, 50, and 80 MeV/G and K = 0.11 G 1/2 R E , suggesting that radial diffusion is the dominant source mechanism for >75 keV protons at L* = 3.5–5.5. Additionally, the observed fast decay of protons at lower μ and slow decay at higher μ are well captured by the model, demonstrating the dominant role of charge exchange in explaining the observed energy-dependent proton decay. For higher μ protons, prompt losses of protons on the time scale of hours are observed over a wide range of L*, which is too fast to be explained by charge exchange. Some of the prompt losses at high L* regions are reproduced by the model with outward radial diffusion to the outer boundary. However, many prompt losses observed at lower L* regions are not captured by the model, which could be due to other loss mechanisms including electromagnetic ion cyclotron wave scattering and field line curvature scattering.

79 ASTRONOMY AND ASTROPHYSICS↗

An uncertainty quantification method relevant to material test reactors

Within material test reactor calculations, energy dependent flux and reaction rate uncertainties are typically not quantified when performing as-run analyses to determine the neutron field experienced by the experiment. When high fidelity Monte-Carlo codes are used in such analyses, straight forward methods to calculate output uncertainties are not available, instead expert opinion is used to postulate computational uncertainties. New methods to propagate uncertainties through these high fidelity simulations are available when sufficient computational power is available. A tool is developed here for sampling any part of an MCNP input from random distributions to determine output uncertainties based on those inputs. Another tool is developed to sample nuclear data cross-section in ACE format using multi-group nuclear data covariances. The Total Monte-Carlo Method and Gesellschaft für Anlagen-und Reaktorsicherheit method (GRS) are implemented and compared to one another as well as MCNP sensitivity and uncertainty calculations. The methods were applied to the Godiva critical sphere k-eigenvalue, the UAM pin-cell benchmark energy dependent flux and reaction rates, and the Advanced Test Reactor energy dependent flux within an experimental location. Furthermore, the two methods agree well, with GRS allowing for an order of magnitude speedup for reaction rate uncertainty calculations and several orders of magnitude for eigenvalue uncertainty calculations.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Spectrum Unfolding with the MC-15

The Multiplicity Counter 15 tube detector or MC-15 is an optimized detector designed for use in the field. It is composed of 15 3 He tubes embedded in high density polyethylene (HDPE). Recent work has explored expanding the use of the MC-15 beyond multiplicity counting to neutron dosimetry applications. Knowledge of the neutron energy spectrum information is required to use a detector as a neutron dosimeter. The MC-15 tube layout is shown in Figure 1. The unique layout makes it possible to use the detector for neutron spectroscopy via spectrum unfolding. Spectrum unfolding requires (1) energy dependence of the detector response, (2) a detector response matrix that precisely quantifies the response to mono-energetic neutrons, (3) an initial guess spectrum, (4) an unfolding algorithm, and (5) measured data (counts in the case of the MC-15). An energy dependent detector response matrix (DRM) can be constructed by considering either each of the three rows of 3 He tubes as a distinct detector or each individual tube as a distinct detector. The HDPE separating the 3 He in the MC-15 provides the distinct energy dependent response for the rows and individual tubes. In this report we detail the development of detector response matrices for the MC-15 and the application of the Los Alamos Unfolding Code (LUC) to both simulated and measured data. Three MC-15 orientations were studied: (1) standard orientation with the MC-15 front facing the source, (2) standard orientation with Cd sheet, (3) 90° orientation with the side of the MC-15 facing the source.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗