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DOE OSTI2026

Status of conceptual horizontal splitter design for FFA@CEBAF energy upgrade

Jefferson Lab’s Continuous Electron Beam Accelerator Facility (CEBAF) is currently investigating the feasibility of upgrading its maximum operating energy using Fixed-Field Alternating-gradient (FFA) recirculating arcs to increase the total number of recirculations the beam through the pair of LINACs. These FFA arcs will be composed of permanent magnets, with small Panofsky-style multipole correctors. Horizontal splitters are needed to control the beam parameters through these FFA arcs. The geometrical and physical constraints, as well as the beam matching requirements are very restrictive, complicating the design. This work will show the current status of the most mature design, which includes matching solutions, as well as options for extraction of the beam.

Accelerator Physics↗

DOE OSTI2026

Design progress for the 22 GeV CEBAF energy upgrade

In this work we examine the progress made in the design of the proposed FFA upgrade to the Continuous Electron Beam Accelerator Facility (CEBAF). This proposed upgrade will double the number of passes through the two linacs by replacing the two highest energy arcs with new Fixed Field Alternating Gradient (FFA) arcs, roughly doubling the energy. These FFA arcs will use permanent magnets in a Halbach configuration to shape their fields. The design involves new optics for the linacs and remaining electromagnetic arcs, as well as new electromagnetic separators. These feed into the permanent magnet FFA arcs. We also report on ongoing studies of the dynamics of the beams, and an experiment to measure the effects of radiation on the permanent magnets.

Accelerator Physics↗

DOE OSTI2025

Future Circular Collider Feasibility Study Report

In response to the 2020 Update of the European Strategy for Particle Physics , the Future Circular Collider (FCC) Feasibility Study was launched as an international collaboration hosted by CERN. This report describes the FCC integrated programme , which consists of two stages: an electron-positron collider (FCC-ee) in the first phase, serving as a high-luminosity Higgs, top, and electroweak factory; followed by a proton-proton collider (FCC-hh) at the energy frontier in the second phase. The FCC-ee is designed to operate at four key centre-of-mass energies: the Z pole, the WW pair production threshold, the ZH production peak, and the top/anti-top production threshold—each delivering the highest possible luminosities to four experiments. Over 15 years of operation, FCC-ee will produce more than 6 trillion Z bosons, 200 million WW pairs, nearly 3 million Higgs bosons, and 2 million top anti-top pairs. Precise energy calibration at the Z pole and WW threshold will be achieved through frequent resonant depolarisation of pilot bunches. The sequence of operation modes between the Z, WW, and ZH substages remains flexible. The FCC-hh will operate at a centre-of-mass energy of approximately 85 TeV—nearly an order of magnitude higher than the LHC—and is designed to deliver 5 to 10 times the integrated luminosity of the upcoming High-Luminosity LHC. Its mass reach for direct discovery extends to several tens of TeV. In addition to proton-proton collisions, the FCC-hh is capable of supporting ion-ion, ion-proton, and lepton-hadron collision modes. This second volume of the Feasibility Study Report presents the complete design of the FCC-ee collider, its operation and staging strategy, the full-energy booster and injector complex, required accelerator technologies, safety concepts, and technical infrastructure. It also includes the design of the FCC-hh hadron collider, development of high-field magnets, hadron injector options, and key technical systems for FCC-hh.

Benedikt, M. [European Organization for Nuclear Re↗

DOE OSTI2024

GEANT4 Simulations on Faraday Cup Design for PIP-II Laser Wire Scanner System

The PIP-II accelerator upgrade at Fermilab represents a groundbreaking leap forward in high-energy physics research. This ambitious initiative involves enhancing Fermilab's accelerator complex by replacing the current linear accelerator with a warm front end (WFE) capable of accelerating H- beams up to 2.1 MeV. Subsequently, a superconducting linac further accelerates these beams up to 800 MeV. To precisely measure the transverse beam profile, a combination of traditional wire scanners at the WFE section and Laser wire scanners along the superconducting linac are planned for implementation. This investigation centers on refining the Faraday cup design for the PIP-II Laser wire scanners by utilizing GEANT4, a Monte Carlo simulation toolkit. Leveraging this method enables a comprehensive analysis of particle trajectories, energy deposition, secondary electron emission, backscattering, etc., facilitating optimization through adjustments to cup geometries, materials, and placement to maximize its efficiency.

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

Fermilab PIP-II CDS & CM Cryogenic Controls System

Details on Final design for Cryogenic Electrical & Controls System for Fermilab' s next-gen particle accelerator PIP-II. Electrical Controls System includes instrumentation and controls of Cryogenics Distribution System and Cryomodules. Design includes Siemens PCS7 Controls System with 26 Remote IO Rittal Cabinets and 48 Relay Racks for Temperature Readouts, Valve Positioners, Level, Heater Controls etc. Electrical Drawings and Design have been completed with focus now on fabrication of the 26 Rittal Cabinets and 48 Relay Racks. All materials have been procured. EPICS will be used as a SCADA system communicating to S7 Controllers via OPC UA.

Patel, Pratik [Fermilab]↗

DOE OSTI2025

Fermilab PIP-II CDS and CM Cryogenic Controls System

Patel, Pratik [Fermilab]↗

DOE OSTI2025

Computing chemical potentials with machine-learning-accelerated simulations to accurately predict thermodynamic properties of molten salts

The successful design and deployment of next-generation nuclear technologies heavily rely on thermodynamic data for relevant molten salt systems. However, the lack of accurate force fields and efficient methods has limited the quality of thermodynamic predictions from atomistic simulations. Here we propose an efficient free energy framework for computing chemical potentials, which is the central free energy quantity behind many thermodynamic properties. We accelerate our simulations without sacrificing accuracy by using machine learning interatomic potentials trained on density functional theory (DFT) data. Using lithium chloride as our model system, we compute chemical potentials with DFT-accuracy for solid and liquid phases by transmuting ions into noninteracting particles. Notably, in the liquid phase, we demonstrate consistency whether we transmute one ion pair or the entire system into ideal gas particles. By locating the temperature where the chemical potential of solid and liquid phases cross, we predict a melting point of 880 ± 18 K for lithium chloride, which is remarkably close to the experimental value of 883 K. With this successful demonstration, we lay the foundation for high-throughput thermodynamic predictions of many properties that can be derived from the chemical potentials of the minority and majority components in molten salts.

Gibson, Luke D. [Oak Ridge National Laboratory (OR↗

DOE OSTI2024

Microstructural Engineering and Accelerated Test Method Development to Achieve Low Cost, High Performance Solutions for Hydrogen Storage and Delivery

This project made advancements in developing lower cost steel alloys with novel microstructural design for use in hydrogen refueling infrastructure such as storage, compressors, and dispensing components, and utilizing accelerated test methods to efficiently evaluate variations in alloy and microstructure design. The project specifically sought to design alloys with lower nickel contents to reduce alloy cost, which was accomplished through substituting manganese for nickel along with other alloy additions to control deformation characteristics known to be important for hydrogen embrittlement resistance. Through Mn substitutions for nickel, austenitic and duplex austenite-ferrite steels were successfully developed with lower cost than currently available commercial stainless steel products that are employed for hydrogen refueling infrastructure. The steels were processed to achieve comparable strength and toughness in hydrogen environments as the commercially available steels containing high Ni contents. To evaluate mechanical performance in hydrogen, a testing methodology was employed to compare ubiquitous laboratory testing using electrochemical hydrogen charging in a liquid electrolyte to less accessible high pressure gaseous testing. While the application of these steels is in high pressure gaseous environments, the electrochemical hydrogen charging tests produced comparable results. Additionally, the Los Alamos Neutron Scatting Center enabled characterization of deformation mechanisms of the steel alloys in the presence of hydrogen, which has been associated with steel alloy characteristics associated with hydrogen embrittlement. Finally, a fracture mechanics based test bed model was developed to predict the influence of hydrogen gas pressure and fatigue conditions on fatigue lifetimes of pressure vessel steels. Together, these developments can be employed to enable lower cost hydrogen fueling infrastructure and more reliable prediction of steel alloy components in hydrogen service conditions. In particular, the newly alloys have the potential to replace stainless steels, having demonstrated comparable performance at substantially reduced cost.

08 HYDROGEN↗

DOE OSTI2024

Formalism for Local Correction of Vertical Crabbing in Hadron Storage Ring

The Electron-Ion Collider (EIC) incorporates crab cavities in both the Electron Storage Ring (ESR) and the Hadron Storage Ring (HSR) to achieve unprecedented luminosity goals. This technical note presents a formalism for the local correction of vertical crabbing in the HSR, addressing the complexities introduced by the integration of crab cavities and the interplay between betatron coupling and crabbing dispersion. Various strategies, including the use of skew quadrupoles and adjustments of Twiss functions, are explored to compensate vertical crabbing to achieve optimal beam-beam performance. The derived theoretical formulas offer practical guidance for minimizing the required vertical crabbing corrections, and will be implemented in the HSR lattice design.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

LBNF Internal Cryogenics Supports Design

This poster presents requirements, methodology, and results of the LBNF Internal Cryogenics External Supports conceptual design. Forces and flexibility analyses, membrane cryostat restrictions, and simplicity were all taken into consideration for the design.

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

The Chemistry, Formation and Passivation of Solid-Electrolyte Interphase (SEI) from FSI- Breakdown at Li-metal Potential

LiFSI-based liquid electrolytes are promising for realizing high Coulombic efficiency (CE) and long cycle life of next-generation high-energy Li metal battery. Nevertheless, the fundamentals of both the chemistry and formation of solid-electrolyte interphase (SEI) in these electrolytes have remained elusive. Herein, we extensively combine electrochemistry and X-ray photoelectron spectroscopy (XPS) to illustrate the reaction pathways of electrolyte decomposition, especially FSI- breakdown, as well as the dissolution trend of various inorganic SEI components. The SEI-forming reactions at Cu/electrolyte interface manifest a potential (E) dependence, driven by direct electron-transfer (ET) and Li underpotential-deposition (Li UPD) at high and low E regions, respectively. By closely correlating the XPS data obtained with and without solvent washing, we demonstrate that not all the products derived from SEI reactions are incorporated into forming a passivating surface layer, with a notable portion dissolving into liquid electrolyte instead. Importantly, high-CE electrolyte dictated by the chemical identity of solvent, is found to exhibit minimized interfacial reactivity of SEI formation enabling more effective interphasial passivation, via preferential integration of passivating ingredients such as LiF. Overall, this work formulates a systematic understating of bridging the SEI chemistry, formation and passivation while identifying key characteristics of high-performance electrolyte for guiding future design.

Bao, Zhenan [SLAC National Accelerator Laboratory ↗

DOE OSTI2026

Strong-field QED limitations on TeV-class plasma wakefield accelerators

We demonstrate that quantum and classical radiation effects can become non-negligible for TeV-class beams propagating through plasma channels typical of staged plasma accelerators. Although the quantum nonlinearity parameter χ e remains small under currently envisioned experimental conditions, the cumulative influence of radiation over long acceleration distances can lead to significant modifications to the beam’s energy spread, emittance, and polarization. Our analytic models, validated by particle-in-cell simulations, highlight that for standard Gaussian beams, the orbit-induced energy spread dominates over quantum stochastic effects but can be mitigated by tailoring the beam profile, for example, through ring-shaped transverse distributions. In regimes where the radiation reaction approaches the accelerating force, the emittance may be cooled, forming distinctive ring-shaped phase-space structures. Finally, we analyze the influence of the radiation effect on spin transport inside the wakefield. These findings underscore the importance of considering both classical and quantum radiation dynamics in the design and optimization of future high-intensity plasma accelerators.

accelerator↗

DOE OSTI2024

High-Fidelity and High-Performance Computational Simulations for Rapid Design Optimization of Sulfur Thermal Energy Storage (CRADA Report)

NREL and Element 16 collaborated on sulfur thermal energy storage modeling using NREL’s high performance computing (HPC) resources to assist its application in industrial processes. Industrial process heat (IPH) accounts for ~70% of US manufacturing energy use and is primarily produced by fossil fuel combustion. Approximately, 1500 TWht (~60% Terawatt hour thermal) of IPH demand is in the temperature range of 100-300°C. Industrial applications in this temperature range include drying, hydrothermal processing, thermal enhanced oil recovery, food and beverage, bioethanol production, etc. Cost-effective thermal energy storage (TES) that increases the utilization of waste and renewable heat (solar, geothermal, etc.) could provide significant energy savings and reliable heat sources, decrease emissions, and increase US manufacturing competitiveness through reductions in fuel consumption. This HPC4EI project facilitated Element 16’s development of low-cost and high-impact molten sulfur TES for dispatchable IPH. The development of a high-fidelity model validated by experimental data and HPC simulations enabled the successful resolution of the complex interplay between fluid dynamics and heat transfer processes during transient operation of sulfur TES, overcoming the numerical challenges posed by the non-linear temperature-dependent physical properties of sulfur. The project helped accelerate Element 16’s molten sulfur TES product design and support its broad applications.

25 ENERGY STORAGE↗

DOE OSTI2026

CHEQUP v0.1

CHEQUP (Castro-based Hofi Expansion with QUasineutral Plasma) is a simulation code for modeling the formation of hydrodynamic optical-field-ionized (HOFI) plasma channels, which are used as waveguides in laser-plasma acceleration experiments. This includes experiments performed at LBNL's BELLA facility as well as other laser facilities across the world. CHEQUP extends the open-source Castro hydrodynamics framework with physics modules tailored for modeling HOFI plasma channels -- including multi-species ionization and three-body recombination for mixtures of hydrogen, nitrogen, helium, and argon ; a two-temperature model tracking electron and heavy-species temperatures separately ; and coupling with other codes of the BLAST ecosystem (https://blast.lbl.gov/) such as WarpX, via the openPMD standard. CHEQUP inherits from Castro the ability to run on modern GPU architectures (NVIDIA CUDA, AMD HIP) and supports adaptive mesh refinement (AMR) for efficient multi-scale resolution. Compared to existing tools, CHEQUP would be, to our knowledge, the first open-source code implementing the full HOFI channel formation physics, and the first implementation capable of running on GPUs. This enables significantly faster, large-scale parameter scans critical for the design of next-generation LPA-based accelerators and light sources.

Lehe, Remi [Lawrence Berkeley National Laboratory ↗

DOE OSTI2025

Unveiling the lithium-ion transport mechanism in Li{sub 2}ZrCl{sub 6} Solid-State Electrolyte {ital via} deep learning-accelerated molecular dynamics simulations.

Lithium zirconium chlorides (LZCs) present a promising class of cost-effective solid electrolytes for next-generation all-solid-state batteries. The unique crystal structure of LZCs plays a crucial role in facilitating lithium-ion mobility, which further affects the electrochemical performance. To understand the underlying mechanism governing ion transport, we employed deep learning-accelerated molecular dynamics simulation on Li2ZrCl6 (trigonal alpha- and monoclinic beta-LZC), focusing specifically on the zirconium coordination environment. Our results reveal that disordered alpha-LZC exhibits the highest ionic conductivity, while beta-LZC demonstrates significantly lower conductivity, closely aligning with experimental findings. The study confirms that across all phases, lithium migration proceeds via the site-to-site hopping mechanism, where variations in site residence times critically impact the overall ionic conductivity. In alpha-LZCs, lithium ions prefer to anisotropically diffuse across interlayers as the result of a lower energy barrier, driven primarily by collective diffusion. In contrast, lithium ions in beta-LZC primarily isotropically diffuse within the intralayer, hindered by higher energy barriers and determined by individual diffusion. The variation in ZrCl6 2- octahedral unit softening, induced by the specific layered arrangement of zirconium atoms, emerges as a critical determinant of the energy barriers across the LZC phases. These atomic-scale insights into the transport processes provide valuable guidance for the rational design and optimization of LZCs-based electrolytes, accelerating their practical application in advanced energy storage technologies.

Guo, Hanzeng↗

DOE OSTI2025

High-Power Targetry for Muon Production

The production of high-intensity muon beams is crucial for advancing particle and accelerator physics, both now and in the future. Achieving these high-intensity goals requires overcoming significant challenges in high-power targetry. Here, we will outline the key challenges and explore the selection of target materials, focusing on muon production and susceptibility to radiation damage---key factors for optimal target designs.

43 PARTICLE ACCELERATORS↗

DOE OSTI2026

Machine-Learning-Driven Discovery of Water Splitting BaFe 2 O 4 and Human-in-the-Loop Improvement via Al-Substitution for Increased Thermal Stability

Thermochemical hydrogen (TCH) production offers a promising method for converting thermal energy into hydrogen fuel through heat-driven redox cycles of metal oxides. Here, in this work a defect graph neural network (dGNN) was used to predict oxygen vacancy formation energies ΔH V O combined with Materials Project predictions of oxygen chemical potential stability to screen candidate oxides via high-throughput database analysis. BaFe 2 O 4 was identified as a promising material for experimental validation based on its predicted ΔH V O , oxygen chemical potential stability range, and potential for tunable substitutions to improve thermal properties. Experimental validation using thermogravimetric analysis (TGA), stagnation flow reactor (SFR), X-ray diffraction (XRD), and electron microscopy confirmed positive water-splitting behavior but also revealed limitations in thermal stability under aggressive reduction conditions. To address this, a human-in-the-loop modification strategy was employed introducing Al substitution in BaFe 2–x Al x O 4 ; this modification improves thermal stability, alters the crystal structure and enhances overall performance. These results demonstrate a combined computational and experimental workflow in which machine learning accelerates identification of promising candidates, while targeted experimental design enables optimization of functional performance. This approach advances the development of robust, cost-effective TCH materials and highlights the importance of integrating data-driven discovery with human-guided materials design in paving the way for scalable hydrogen production technologies.

organic↗

DOE OSTI2025

Magnetic Field Mapping Design for the MOLLER Spectrometer Magnets at Jefferson Lab

The Thomas Jefferson National Accelerator Facility (JLab) has developed a unique spectrometer system to study the weak interaction between electrons. The "Measurement of Lepton-Lepton Electroweak Reaction" (MOLLER) experiment, utilizing JLab's recent 12 GeV electron beam upgrade, is scheduled to operate for three years. Central to the MOLLER experiment are five water-cooled toroidal magnets, each with a unique geometry and seven-fold symmetry, designed to focus the particles. These magnets generate the magnetic field needed to separate incident beam electrons scattered from target electrons (Møller scattering) and protons (elastic e-p scattering) within a liquid hydrogen target. Here, this paper details the magnet field measuring technique developed to map all five MOLLER toroidal magnets at multiple locations inside and along the bore. It covers the design, mounting, and operation of the probe, along with the calibration procedure to determine the field and to prepare a field map for GEANT4 analysis. Additionally, the paper addresses the challenges of accurately measuring low magnetic fields.

Ghoshal, Probir K. [Thomas Jefferson National Acce↗