Oak Ridge National Laboratory

ZAPS: Zone-Averaged Accelerated Pebble Bed Simulator

Conference paper presented at PHYSOR 2026 - The International Conference on Physics of Reactors. Published in Proceedings of PHYSOR 2026 International Conference. ISBN: 979-12-81583-46-7. Conference website: https://www.physor2026.org/. Session: R01. Core Analysis Methods. Paper...

Epitaxially Integrated Electro‐Optic KNbO 3 Thin Films on Silicon

ABSTRACT The absence of a native electro‐optic effect in silicon remains a fundamental limitation for integrated photonics, motivating the integration of ferroelectric oxides as active materials. Here, we report the first epitaxial integration of KNbO 3 thin films on silicon, est...

Isotope- and Element-Resolved Analysis of (Trans)uranium Content of Curium Targets for Heavy-Actinide Production after Intense Neutron Irradiation in the High Flux Isotope Reactor

Abstract Curium is the heaviest element resulting from nuclear power generation and is present in spent nuclear fuel. Macroscopic amounts of transcurium elements are produced by high thermal-neutron flux irradiation of curium targets in a complex process involving many neutron ca...

LLMs can assist with proposal selection at large user facilities

Abstract We explore how large language models (LLMs) can enhance the proposal selection process at large user facilities, offering a scalable, consistent, and cost-effective alternative to traditional human review. Proposal selection depends on assessing the relative strength amo...

Ensemble Score Filter with Image Inpainting for Data Assimilation in Tracking Surface Quasi-geostrophic Dynamics with Partial Observations

Abstract. Data assimilation plays a pivotal role in understanding and predicting turbulent systems within geoscience and weather forecasting, where data assimilation is used to address three fundamental challenges, i.e., high-dimensionality, nonlinearity, and partial observations...

Antiferroelectric hafnia down to the 2D limit

Antiferroelectricity is a material property characterized by alternating electric dipoles spontaneously ordered in antiparallel directions. Antiferroelectrics are promising for energy storage, solid-state cooling, and memory technologies; however, these materials are scarce, and...

Frequency-dependent shear and bulk viscosity of aqueous and non-aqueous lithium battery electrolytes

Transverse ultrasound was used to examine the frequency-dependent shear viscosities of three lithium bis(trifluoromethanesulfonyl)imide-based electrolytes: aqueous, non-aqueous, and hybrid aqueous-organic solutions. Frequency-dependent bulk viscosities of two of the electrolytes...

Development and preliminary validation of a Nek5000-based magnetohydrodynamics solver for fusion blanket relevant liquid metal and molten salt flows

Modern magnetically confined fusion reactor designs depend heavily on the efficient operation of breeding blankets, where magnetohydrodynamics (MHD) plays a central role in shaping coolant dynamics and performance. Accurate simulations are critical to understanding the interplay...

Structure of Li3YCl6 and Its Effect on Lithium Ionic Conductivity

Abstract Halide-based Li+ solid-state electrolytes have garnered renewed interest in recent years, mainly because of their significantly improved Li+ ionic conductivity and excellent stability against high-voltage cathodes. Numerous studies have reported that synthetic conditions...

Proteomics and characterization of lignocellulosic carbohydrate utilization for Thermoanaerobacterium thermosaccharolyticum reveals two thermophilic Gram-positive polysaccharide utilization loci

Saccharolytic bacteria are of increasing interest due to their importance in human health and the environment. In particular, their abilities to utilize diverse plant polysaccharides make them attractive candidate organisms for production of lignocellulosic biofuels. Thermoanaero...

Beta Atlas: Charting Global Production of Nonconventional β − -Emitters for Targeted Radiopharmaceutical Therapy—Part 1

β-minus particle (β−)–emitting radionuclides have long been central to targeted radiopharmaceutical therapy. Interest in expanding their repertoire beyond conventional options has grown over time, as the need for radionuclides with different emission profiles and theranostic pote...

WSINDy for model predictive control with applications to fusion, drones and chaos

Abstract The control of complex dynamical systems remains a fundamental challenge in science and engineering, where strong nonlinearities, the presence of noise and computational constraints often pose significant obstacles in traditional control approaches. Recent advances in da...

Activating Photoreaction of Indazole Metastable-State Photoacid through Two-Photon Excitation

Abstract The photoreaction and functionalities of metastable state photoacids (mPAHs) have been examined almost exclusively through one-photon excitation so far. Here, we report two-photon excited fluorescence measurements on an aqueous solution of a highly water-soluble indazole...

Artificial Intelligence Across the PET Reconstruction Pipeline: An Update

PET reconstruction has evolved from analytic and iterative physics-based methods toward hybrid approaches that increasingly incorporate artificial intelligence (AI). As digital detectors, long-axial FOV systems, and time-of-flight technology increase data richness and computation...

Molecular dynamics based study on the effects of cation size on the local structure and diffusion in polymerized ionic liquids

We have used coarse-grained molecular dynamics simulations to understand the effect of cation size on ion diffusion in polymerized ionic liquids at temperatures well above the glass transition temperature of the polymers. We investigated dependencies of the diffusion constant on...

AI-coupled HPC Workflow Applications, Middleware and Performance

AI integration is revolutionizing the landscape of HPC simulations, enhancing the importance, use, and performance of AI-coupled HPC workflows. This paper surveys the diverse and rapidly evolving field of AI-driven HPC and provides a common conceptual basis for understanding such...

Convergence guarantee for linearly-constrained combinatorial optimization with a quantum alternating operator ansatz

We present a quantum alternating operator ansatz (QAOA + ) that solves a class of linearly constrained optimization problems by evolving a quantum state within a Hilbert subspace of feasible problem solutions. Our main focus is on a class of problems with a linear constraint cont...

Fingerprinting Superconductors by Disentangling Andreev and Quasiparticle Currents Across Tunable Tunnel Junctions

ABSTRACT Tunneling Andreev reflection (TAR) spectroscopy provides a new approach to identify superconducting pairing symmetry at the atomic scale. Using atomistic superconducting transport simulations, we reveal the mechanism by which TAR can distinguish between pairing symmetrie...

ToxCompl Completion of the DrugMatrix Toxicogenomics Database: An Integrated Resource for Toxicological Hypothesis Generation

The DrugMatrix database contains systematically generated toxicogenomics data from short-term in vivo studies for over 600 chemicals. However, most potential endpoints are missing due to a lack of experimental measurements. Therefore, we leveraged matrix factorization and machine...

The Role of Intrinsic Defects in the Structural Transition of Superconducting La3Ni2O7: A Many-Body DMC Prediction

Abstract The pressure-induced structural phase transitions of the superconducting Ruddlesden–Popper nickelate La3Ni2O7 remain under active debate. While the Amam phase is generally identified as the non-superconducting ambient-pressure structure, several higher-symmetry phases ha...