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At least 361 records · Page 20

Neural network approaches for parameterized optimal control

Here, we consider numerical approaches for deterministic, finite-dimensional optimal control problems whose dynamics depend on unknown or uncertain parameters. We seek to amortize the solution over a set of relevant parameters in an offline stage to enable rapid decision-making and be able to react to changes in the parameter in the online stage. To tackle the curse of dimensionality arising when the state and/or parameter are high-dimensional, we represent the policy using neural networks. We compare two training paradigms: First, our model-based approach leverages the dynamics and definition of the objective function to learn the value function of the parameterized optimal control problem and obtain the policy using a feedback form. Second, we use actor-critic reinforcement learning to approximate the policy in a data-driven way. Using an example involving a two-dimensional convection-diffusion equation, which features high-dimensional state and parameter spaces, we investigate the accuracy and efficiency of both training paradigms. While both paradigms lead to a reasonable approximation of the policy, the model-based approach is more accurate and considerably reduces the number of PDE solves.

97 MATHEMATICS AND COMPUTING↗

Image-Based Failure Assessment of Li-Ion Batteries

In energy storage materials, strong electrochemical-mechanical coupling and highly anisotropic material properties contribute to the formation and propagation of micro-cracking during charge/discharge cycling, resulting in reduced performance and service life. In this work, a digital twin is created to investigate the performance of a heterogeneous Li-ion battery cathode and simulate degradation accumulation. Pixel-based model construction is used to represent the complex material geometries from microstructural images supplied by the National Renewable Energy Laboratory (NREL). Because of the expected large deformation and crack opening, the reproducing kernel particle method (RKPM), a meshfree method with discretization at the image pixels, is used to approximate the field variables: electrostatic potential, concentration, and displacement. An interface modified reproducing kernel (IM-RK) is constructed by scaling a smooth kernel function with an interface-distance function to achieve strategic discontinuity types (i.e. weak discontinuities for strain discontinuities and strong discontinuities for cracks) and alleviate Gibbs oscillations near these transition zones. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. IM-RK is additionally used to inform how crack evolution in turn affects the coupled electro-chemo-mechanical behavior of the Li-ion battery cathode.

image-based modeling↗

Origin of the Low-Energy Enhancement of the γ-Ray Strength Function

The low-energy enhancement (LEE) in γ-ray strength functions has been experimentally identified in a large number of nuclei during the past two decades; however, the origin of the enhancement is not fully understood. Building on previous theoretical work, we investigate the LEE and its relation to the scissors mode (SM) with an independent theoretical approach. We apply a novel angular-momentum-projected shell-model method that explicitly endows degrees of freedom to describe the scissors motion. Taking the recently measured γ-ray strength functions in Neodymium isotopes as examples, we find that the LEE arises from a quasi-free scissors motion appearing only in weakly-deformed nuclei, which can be viewed as an approximate free-rotation of neutrons with respect to protons. This leads us to propose a new type of collective motion, scissors rotation, to contrast the scissors vibration widely known in well-deformed nuclei. The observed LEE is naturally interpreted as the first evidence for this collective excitation mode.

Collective models↗

Field redefinitions and infinite field anomalous dimensions

Field redefinitions are commonly used to reduce the number of operators in the Lagrangian by removing redundant operators and transforming to a minimal operator basis. We give a general argument that such field redefinitions, while leaving the S-matrix invariant and consequently finite, lead not only to infinite Green’s functions, but also to infinite field anomalous dimensions γ ϕ . These divergences cannot be removed by counterterms without reintroducing redundant operators.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Integrated Off-gas System: A Preconceptual Design of an Integrated Off-Gas Treatment System

The U.S. has a vested interest in the advancement of nuclear energy to achieve aggressive net-zero goals, with reprocessing and recycling of used nuclear fuels (UNF) playing a vital role. It will not be possible to meet U.S. regulatory requirements without robust off-gas treatment, so it is crucial to advance treatment technologies to facilitate the design of future reprocessing facilities. For many years, teams of researchers across the U.S. Department of Energy (DOE) National Laboratory complex have been investigating off-gas treatment technologies for the capture and removal of volatile radionuclides (i.e., 85 Kr, Xe, 14 C, and 129 I) and oxides of nitrogen (NO X ) that are produced from reprocessing. These investigations have been focused on developing individual technologies for the capture of Kr, Xe, iodine, and CO 2 . Capture technologies for each constituent were tested independently from one another by utilizing nonradioactive surrogates to simulate simplified off-gas streams. The tests have been relatively small, laboratory-scale experiments of up to approximately 1 L/minute total gas flow rate. To increase the readiness of these technologies for deployment, an integrated test system with a larger-scale capacity is needed to bridge the gap between promising bench scale and fully scalable UNF reprocessing off-gas treatment. This document contains the goals, design basis, functional requirements, preconceptual design, and cost estimates for an integrated off-gas demonstration system for the capture and removal of NO x , Kr, Xe, CO 2 , and iodine at 10× higher throughput than earlier laboratory studies. The order-of-magnitude cost estimate for this system is approximately $\$$886,000. Next phases include conceptual design, detailed design, fabrication, and commissioning.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Optical and Plasmonic Properties of High-Electron-Density Epitaxial and Oxidative Controlled Titanium Nitride Thin Films

The present paper reports on the fabrication, detailed structural characterizations, and theoretical modeling of titanium nitride (TiN) and its isostructural oxide derivative, titanium oxynitride (TiNO) thin films that have excellent plasmonic properties and that also have the potential to overcome the limitation of noble metal and refractory metals. The TiNO films deposited at 700 °C in high vacuum conditions have the highest reflectance (R = ~ 95%), largest negative dielectric constant (ε 1 = –161), and maximal plasmonic figure of merit (FoM = –ε 1 /ε 2 ) of 1.2, followed by the 600 °C samples deposited in a vacuum (R = ~ 85%, ε 1 = –145, FoM = 0.8) and 700 °C–5 mTorr sample (R = ~ 82%, ε 1 = –8, FoM = 0.3). To corroborate our experimental observations, we calculated the phonon dispersions and Raman active modes of TiNO by using the virtual crystal approximation. From the experimental and theoretical studies, a multilayer optical model has been proposed for the TiN/TiNO epitaxial thin films for obtaining individual complex dielectric functions from which many other optical parameters can be calculated. The advantages of oxide derivatives of TiN are the continuation of similar free electron density as in TiN and the acquisition of additional features such as oxygen-dependent semiconductivity with a tunable bandgap.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Analytic solutions of the DGLAP evolution and theoretical uncertainties

The energy dependence for the singlet sector of Parton Distributions Functions (PDFs) is described by an entangled pair of ordinary linear differential equations. Although there are no exact analytic solutions, it is possible to provide approximated results depending on the assumptions and the methodology adopted. These results differ in their sub-leading, neglected terms and ultimately they are associated with different treatments of the theoretical uncertainties. In this work, a novel analytic approach in Mellin space is presented and a new methodology for obtaining closed and exponentiated analytic solutions is devised. Different results for the DGLAP evolution at Next-Leading-Order are compared, discussing advantages and disadvantages for each solution. The generalizations to higher orders are addressed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Tethered Balloon Observations of Vertically Resolved Aerosol Size Distributions during the U.S. DOE ARM CoURAGE and BNF Campaigns

This dataset contains vertically resolved aerosol particle number size distributions measured using a miniature Scanning Electrical Mobility Spectrometer (mSEMS) deployed aboard the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) Tethered Balloon System (TBS) during the 2025 Coast-Urban-Rural Atmospheric Gradient Experiment (CoURAGE) and Bankhead National Forest (BNF) field campaigns. The mSEMS measured aerosol size distributions over approximately 10–300 nm during repeated TBS vertical profiles through the atmospheric boundary layer. The dataset provides measurements of particle number size distributions as a function of particle diameter, altitude, and time and supports investigation of aerosol vertical structure, elevated ultrafine and Aitken-mode particle layers, boundary-layer evolution, and residual-layer processes.

ARM↗

Measurement report: A comparison of ground-level ice-nucleating-particle abundance and aerosol properties during autumn at contrasting marine and terrestrial locations

Abstract. Ice-nucleating particles (INPs) are an essential class of aerosols found worldwide that have far-reaching but poorly quantified climate feedback mechanisms through interaction with clouds and impacts on precipitation. These particles can have highly variable physicochemical properties in the atmosphere, and it is crucial to continuously monitor their long-term concentration relative to total ambient aerosol populations at a wide variety of sites to comprehensively understand aerosol–cloud interactions in the atmosphere. Hence, our study applied an in situ forced expansion cooling device to measure ambient INP concentrations and test its automated continuous measurements at atmospheric observatories, where complementary aerosol instruments are heavily equipped. Using collocated aerosol size, number, and composition measurements from these sites, we analyzed the correlation between sources and abundance of INPs in different environments. Toward this aim, we have measured ground-level INP concentrations at two contrasting sites, one in the Southern Great Plains (SGP) region of the United States with a substantial terrestrially influenced aerosol population and one in the Eastern North Atlantic Ocean (ENA) region with a primarily marine-influenced aerosol population. These measurements examined INPs mainly formed through immersion freezing and were performed at a ≤ 12 min resolution and with a wide range of heterogeneous freezing temperatures (Ts above −31 °C) for at least 45 d at each site. The associated INP data analysis was conducted in a consistent manner. We also explored the additional offline characterization of ambient aerosol particle samples from both locations in comparison to in situ data. From our ENA data, on average, INP abundance ranges from ≈ 1 to ≈ 20 L−1 (−30 °C ≤ T ≤ −20 °C) during October–November 2020. Backward air mass trajectories reveal a strong marine influence at ENA with 75.7 % of air masses originating over the Atlantic Ocean and 96.6 % of air masses traveling over open water, but analysis of particle chemistry suggests an additional INP source besides maritime aerosols (e.g., sea spray aerosols) at ENA. In contrast, 90.8 % of air masses at the SGP location originated from the North American continent, and 96.1 % of the time, these air masses traveled over land. As a result, organic-rich SGP aerosols from terrestrial sources exhibited notably high INP abundance from ≈ 1 to ≈ 100 L−1 (−30 °C ≤ T ≤ −15 °C) during October–November 2019. The probability density function of aerosol surface area-scaled immersion freezing efficiency (ice nucleation active surface site density; ns) was assessed for selected freezing temperatures. While the INP concentrations measured at SGP are higher than those of ENA, the ns(T) values of SGP (≈ 105 to ≈ 107 m−2 for −30 °C ≤ T ≤ −15 °C) are reciprocally lower than ENA for approximately 2 orders of magnitude (≈ 107 to ≈ 109 m−2 for −30 °C ≤ T ≤ −15 °C). The observed difference in ns(T) mainly stems from varied available aerosol surface areas, Saer, from two sites (Saer,SGP > Saer,ENA). INP parameterizations were developed as a function of examined freezing temperatures from SGP and ENA for our study periods.

54 ENVIRONMENTAL SCIENCES↗

Characterizing Artificial Viscosity Parameters with Approximate Symmetries

We are often faced with trying to capture the physics of compressible shocks, which are governed by the Euler equations. However, Euler shocks are formally discontinuous at the shock front (translating to a step-function behavior of rel evant flow variables). This poses a practical problem for codes with finite-sized grid elements. As a result, one must make a concession in simulating the be havior of shocks within a discrete framework. In particular, we must blur, or ‘regularize’ Euler shocks so that they may be captured on a finite grid.

97 MATHEMATICS AND COMPUTING↗

Helicity evolution at small x : quark to gluon and gluon to quark transition operators

We include the quark to gluon and gluon to quark shock-wave transition operators into the small Bjorken-x evolution equations for helicity in the flavor-singlet channel derived earlier in [1,2,3]. While such transitions do not affect the large-N c version of the evolution equations for helicity, the large-N c & N f equations are affected. (N c and N f are the numbers of quark colors and flavors, respectively.) We derive the corresponding corrected large-N c & N f equations for the polarized dipole amplitudes contributing to the flavor-singlet quark and gluon helicity distributions in the double-logarithmic approximation (DLA), resumming powers of α s ln 2 (1/x) with αs the strong coupling constant. We solve these equations iteratively and extract the polarized splitting functions up to four loops. We show that our splitting functions agree with the fixed-order perturbative calculations up to and including the existing three-loops results [4,5,6,7]. Similar to the large-Nc helicity evolution in the shock-wave approach [8], our large-N c & N f small-x splitting functions agree with those obtained in the infrared evolution equations framework from [9, 10] up to three loops, but appear to slightly disagree at four loops.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Numerical Analysis of Offshore Wind-Farm-Induced Drag Effects on Coastal Upwelling Dynamics

Wind farms extract momentum from the atmospheric flow, generating wind-speed deficits both within the plant, and extending downstream. When located offshore, these deficits modulate air-sea coupling, potentially impacting coastal upwelling in sensitive regions. We investigate impacts of wind farms on coastal upwelling using kilometre-scale, three-way-coupled simulations with the coupled ocean-atmosphere-wave-sediment transport system for the US West Coast. Wind-farm effects are represented by a generalised turbine drag formulation, an idealised, height-dependent body force whose magnitude is systematically varied. This approach isolates the leading-order fluid-dynamical response in a realistic coastal configuration. The atmospheric adjustment exhibits an approximately linear relation between drag force and wind-speed deficit, with wakes that expand downstream and increase in magnitude as drag increases. An empirical orthogonal function analysis of sea-surface-temperature anomalies reveals the emergence of a canonical dipole pattern under strong drag forcing. Subsurface diagnostics show consistent shoaling of the mixed layer and suppressed upward velocities in areas near wind-farm region, accompanied by compensating enhancements of shoaling closer to the coast. These results identify turbine drag as a control parameter in assessing interactions between wind-farm wake and coastal upwelling and provide scaling relationships for understanding offshore wind-farm effects on the coastal circulation dynamics.

16 TIDAL AND WAVE POWER↗

Understanding Majorana braiding in superconductors with a fixed total number of particles

Mean-field one-dimensional topological superconductors host edge Majorana zero modes (MZMs) that encode a topologically protected ground-state degeneracy and enable robust braiding operations within this subspace. Mean-field states lack definite particle number and thus cannot represent isolated systems. Nevertheless, projecting them onto fixed particle number can yield good approximations to an isolated superconductor ground state. In earlier work [Sajith et al., Phys. Rev. B 109, 184509 (2024)] we showed that the projected Kitaev wave function of a single wire preserves some important mean-field features, such as the zero-energy spectral peaks near the wire edges. However, uniqueness of the fixed-number ground state does not allow for any nontrivial operations in the ground-state subspace. To overcome this limitation, here we consider the case of multiple wires with a conserved total charge, using the same approach. In the limit of vanishing interwire coupling, this system has a macroscopic ground-state degeneracy. We show how this degeneracy is resolved by coherent single-particle tunneling, and identify special many-body states which play the same role as the MZM parity states in the mean field. In this work, we demonstrate how braiding operations can be implemented and discuss both intrinsic and extrinsic limits on their fidelity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

QCD splitting functions beyond kinematical limits

We present a systematic decomposition of QCD splitting functions into scalar dipole radiators and pure splitting remainders up to second order in the strong coupling. The individual components contain terms that are formally subleading in soft or collinear scaling parameters, but well understood and universal due to their origin in scalar QCD. The multipole radiator functions which we derive share essential features of the known double-soft and one-loop soft gluon currents, and are not based on kinematical approximations.

Campbell, John M. [Fermilab] (ORCID:00000002136193↗

Quantum Hamilton-Jacobi theory, spectral path integrals, and exact WKB analysis

We propose a new way to perform path integrals in quantum mechanics by using a quantum version of Hamilton-Jacobi (HJ) theory. In classical mechanics, Hamilton-Jacobi theory is a powerful formalism, however, its utility is not explored in quantum theory beyond approximation schemes. The canonical transformation enables one to set the new Hamiltonian to constant or zero, but keeps the information about solution in Hamilton’s characteristic function. To benefit from this in quantum theory, one must work with a formulation in which classical Hamiltonian is used. This uniquely points to phase space path integral. However, the main variable in HJ formalism is energy, not time. Thus, we are led to consider the Fourier transform of the path integral, the spectral path integral Z ˜ ( E ) . The evaluation of path integrals reduces to determining the quantum Hamilton characteristic functions (which can be achieved via an asymptotic analysis) and a discrete sum over the quantum period lattice, generalizing Gutzwiller’s sum. Published by the American Physical Society 2025

Türe, Mustafa (ORCID:0009000975968618)↗

Tracing the Cosmic Evolution of the Cool Circumgalactic Medium of Luminous Red Galaxies with DESI Year 1 Data

We investigate the properties of the cool circumgalactic medium (CGM) of massive galaxies and their cosmic evolution. By using the year 1 dataset of luminous red galaxies (LRGs) and QSOs from the Dark Energy Spectroscopic Instrument survey, we construct a sample of approximately 600,000 galaxy-quasar pairs and measure the radial distribution and kinematics of the cool gas traced by Mg II absorption lines as a function of galaxy properties from redshift 0.4 to redshift 1.2. Our results show that the covering fraction of the cool gas around LRGs increases with redshift, following a trend similar to the global evolution of galaxy star formation rate. At small radii (< 0.3rvir), the covering fraction anti-correlates with stellar mass, suggesting that mass-dependent processes suppress the cool gas content in the inner region. In addition, we measure the gas dispersion by modeling the velocity distribution of absorbers with a narrow and a broad components -- sigma_n ~ 160 and sigma_b ~ 380 km/s -- and quantify their relative contributions. The results show that the broad component becomes more prominent in the outer region, and its relative importance in the central region grows with increasing stellar mass. Finally, we discuss possible origins of the cool gas around massive galaxies, including the contribution of satellite galaxies and the precipitation scenario.

Chang, Yu-Ling [Taiwan, Natl. Taiwan U.] (ORCID:00↗

DIF3D-VARIANT 12.0: Updates and New Features

The DIF3D code has been a workhorse of fast reactor analysis work at Argonne National Laboratory for over 40 years. In 1995, a transport option called VARIANT was added to DIF3D to improve the flux solutions for fast reactor problems which we term DIF3D-VARIANT today. DIF3D-VARIANT performs nodal neutron transport calculations using P N or SP N theory in Cartesian and hexagonal two- and three-dimensional geometries. The limited computing capabilities of the time restricted DIF3D-VARIANT to use at most a 6 th order spatial approximation combined with a P3 flux approximation and P1 scattering kernel for a 33 group structure on most studied reactor problems. Computer capabilities have increased steadily since 1995 and today much larger space-angle-energy approximations are possible. This manuscript serves as an update to the theory section of the original DIF3D-VARIANT manual and details more than twenty years of changes made to DIF3D to make version 12 which was released on November 1 st , 2024. The primary focus of the initial work was to extend the space-angle approximations available in DIF3D-VARIANT such that the error due to transport approximations could be better understood. This work was started and completed in 2002 and marked the official version 10. Unfortunately, those higher order approximations could not be used at that time due to the memory constraints of the BPOINTER part of DIF3D (limited to 2 GB). In version 11, completed in 2012, BPOINTER was circumvented in DIF3D-VARIANT for the largest arrays by introducing a Fortran 90 module called LMA (Large Memory Array). This seamlessly replaces all of the functionality of the BPOINTER concept, but it allows 64 bit addressing for every array such that they can be larger than 2 GB. It is now common for DIF3D-VARIANT jobs to consume 50 GB of memory on modern workstations when using high order space-angle approximations and a large number of groups. Many improvements were made to version 11 from 2012 to 2022 when work to create version 12 started. For version 12, several parts of DIF3D were updated to improve performance and thread parallelism was introduced to further reduce the runtime. Numerous minor bugs were discovered in DIF3D-VARIANT as part of the process of creating the perturbation and sensitivity code PERSENT. All of these algorithmic problems were identified in the transition from version 10 to version 11 which prevented DIF3D-VARIANT from running efficiently and reliably. Firstly, the coarse mesh rebalance scheme would routinely diverge and a study detailed in this report demonstrates how it was also typically not effective. This is not a failure of the coarse mesh rebalance methodology, but a failure of its implementation in DIF3D-VARIANT for hexagonal geometries. The fission source extrapolation algorithm was also found to be unreliable on larger group structure problems, leading to divergence in some cases and a negligible improvement in performance overall. Finally, the “Omega” acceleration applied to the partial current solver routine of DIF3D-VARIANT was found to cause DIF3D-VARIANT to converge to the wrong answer. To resolve these issues, both the coarse mesh rebalance and fission source extrapolation were permanently disabled in version 11. The Tchebychev acceleration was put in as a temporary reliable alternative but it is generally inferior to coarse mesh rebalance or coarse mesh finite difference. For the Omega acceleration, the factor was restricted to guarantee that it would not cause follow-on errors in PERSENT. Due to limited funding to support maintenance and development of DIF3D in the last 10 years, no effort was spent since to resolve the outer iteration acceleration. Except for the threading work, all of the changes discussed in this manuscript refer to changes made between version 10 and version 11. Performance comparisons are done to demonstrate the improvements from version 9 to version 12. As will be demonstrated, the updated versi

22 GENERAL STUDIES OF NUCLEAR REACTORS↗