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DOE OSTI2025

Photon-Counting Interferometry to Detect Geontropic Space-Time Fluctuations with GQuEST

The gravity from the quantum entanglement of space-time (GQuEST) experiment uses tabletop-scale Michelson laser interferometers to probe for fluctuations in space-time. We present a practicable interferometer design featuring a novel photon-counting readout method that provides unprecedented sensitivity, as it is not subject to the interferometric standard quantum limit. We evaluate the potential of this design to measure space-time fluctuations motivated by recent “geontropic” quantum gravity models. The accelerated accrual of Fisher information offered by the photon-counting readout enables GQuEST to detect the predicted quantum gravity phenomena within measurement times at least 100 times shorter than equivalent conventional interferometers. The GQuEST design, thus, enables a fast and sensitive search for signatures of quantum gravity in a laboratory-scale experiment.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Compact cryomodule for mobile stand-alone superconducting industrial accelerators

Superconducting RF (SRF) accelerators have the potential to be more profitable in comparison with normally conducting accelerators, as long they can be made compact, achieve operational simplicity, autonomy, trans- portability, satisfactory energy efficiency, as well as have reasonable costs. The development of SRF technologies such as Nb 3 Sn coating, conductively-cooled resonators, and high-capacity liquid-helium-free cryocoolers made SRF accelerators mobile and energetically and economically efficient at a beam power of tens of kW. One of the key elements of such an accelerator is the cryomodule, which must have minimal thermal losses to enable operation from low power cryoheads and enable conductive cooling of SRF resonator. In this research we present the design and test results of a compact cryomodule for an industrial stand-alone SRF linear accelerator proto- type, based on 650 MHz elliptical resonators, being developed at Fermi National Accelerator Laboratory.

43 PARTICLE ACCELERATORS↗

DOE OSTI2020

Computationally aided, entropy-driven synthesis of highly efficient and durable multi-elemental alloy catalysts

Multi-elemental alloy nanoparticles (MEA-NPs) hold great promise for catalyst discovery in a virtually unlimited compositional space. However, rational and controllable synthesize of these intrinsically complex structures remains a challenge. Here, we report the computationally aided, entropy-driven design and synthesis of highly efficient and durable catalyst MEA-NPs. The computational strategy includes prescreening of millions of compositions, prediction of alloy formation by density functional theory calculations, and examination of structural stability by a hybrid Monte Carlo and molecular dynamics method. Selected compositions can be efficiently and rapidly synthesized at high temperature (e.g., 1500 K, 0.5 s) with excellent thermal stability. We applied these MEA-NPs for catalytic NH 3 decomposition and observed outstanding performance due to the synergistic effect of multi-elemental mixing, their small size, and the alloy phase. We anticipate that the computationally aided rational design and rapid synthesis of MEA-NPs are broadly applicable for various catalytic reactions and will accelerate material discovery.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Evaluating uncertainty-based active learning for accelerating the generalization of molecular property prediction

Deep learning models have proven to be a powerful tool for the prediction of molecular properties for applications including drug design and the development of energy storage materials. However, in order to learn accurate and robust structure–property mappings, these models require large amounts of data which can be a challenge to collect given the time and resource-intensive nature of experimental material characterization efforts. Additionally, such models fail to generalize to new types of molecular structures that were not included in the model training data. The acceleration of material development through uncertainty-guided experimental design has the promise to significantly reduce the data requirements and enable faster generalization to new types of materials. To evaluate the potential of such approaches for electrolyte design applications, we perform comprehensive evaluation of existing uncertainty quantification methods on the prediction of two relevant molecular properties - aqueous solubility and redox potential. We develop novel evaluation methods to probe the utility of the uncertainty estimates for both in-domain and out-of-domain data sets. Finally, we leverage selected uncertainty estimation methods for active learning to evaluate their capacity to support experimental design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Cryomodules for LCLS-II High Energy

1.3 GHz cryomodules for LCLS-II High Energy (HE) at SLAC will utilize the proven design from LCLS-II. There will be a number of small changes to capture the as-built design for LCLS-II and optimize assembly, but the overall design concept is the same.

43 PARTICLE ACCELERATORS↗

DOE OSTI2023

Beam-Impedance Considerations for the EIC HSR Screen

The hadron storage ring (HSR) of the Electron-Ion Collider (EIC) will use the superconducting magnets from the Relativistic Heavy Ion Collider (RHIC). However, the beam pipes of these magnets show too large resistive-wall impedance and secondary electron yield to the HSR beams. The planned solution is to install beam screens that feature a thin film of amorphous carbon with low SEY on top of a high RRR copper layer for reduced impedance. This note discusses beam-impedance considerations that impact the EIC HSR beam screen design.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Evaluation of Second Target Station Target Streaming for the Preliminary Design of the Target Assembly

This report documents the analysis of dose rate fields from a combination of two sources stemming from the target system of the Oak Ridge National Laboratory (ORNL) Spallation Neutron Source (SNS) Second Target Station (STS). This analysis supports the target drive components’ lifetime estimates and conventional facilities’ preliminary design. The two sources detailed in this report are the radiation generated by the proton beam incident on the target and the activated cooling water in the pipes at the top of the target assembly. The analysis considers the STS target system in operational configuration, with all shielding in place. The dose rate fields are calculated in the target drive room and through the target drive room ceiling. This report calculates the thickness necessary for the target drive room’s high-density concrete ceiling to meet the 0.25 mrem/hr dose limit requirement in the high bay directly above the target drive room. In addition to sizing the target drive room ceiling, this report includes details of the dose field surrounding the target drive assembly to estimate the deposited dose in the target drive assembly components resulting from both streaming and decay of activated water. Prompt neutrons and gammas generated by the proton beam incident on the target primarily stream along the gaps between the target assembly and core vessel shielding. Because the models and analysis detailed in this report are based on the STS preliminary design, future analysis is needed to support the STS final design.

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

Development of an Advanced Multiphysics Simulation Capability for Radiant's Microreactor Design

Argonne National Laboratory and Idaho National Laboratory, through a Department of Energy Gateway for Accelerated Innovation in Nuclear Voucher, supported key analysis needs of Radiant related to (i) air jacket thermal fluid performance, (ii) evaluation of decay heat source terms defining air jacket technical requirements, and (iii) assessment of modeling methodologies employed for core analysis. All of these activities center on numerical simulation of various aspects of Kaleidos using the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework, the Cardinal multiphysics application, the OpenMC Monte Carlo code, and the Nek5000 computational fluid dynamics (CFD) code. This project builds upon an earlier Nuclear Energy Advanced Modeling and Simulation (NEAMS) Thermal-Hydraulic (T/H) Center of Excellence (CoE) project focused on initial demonstration of Cardinal multiphysics simulation of High Temperature Gas Reactors (HTGRs) and now focuses on Radiant’s Kaleidos concept.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Radioisotope production at the Spallation Neutron Source: Design concept of experimental target station

Completion of the Proton Power Upgrade Project for the Spallation Neutron Source (SNS) accelerator at Oak Ridge National Laboratory opens an opportunity to utilize reserve beam power of more than 100 kW for applications beyond neutron production. One of these applications is the production of critical radionuclides. To demonstrate the feasibility of using the reserve beam power to produce radioisotope at SNS, a design concept of a small-scale experimental target station in the Linac Dump area has been developed. This experimental facility will provide isotope yield benchmarking data using protons in the GeV range. It will also enable additional research and development in isotope handling and radiochemical separation. The target station consists of a target module enclosed in a vessel and concrete shielding. Particle transport calculations and thermo-mechanical simulations are used to determine beam parameters, decay time, isotope yield, shielding dimensions, and target design parameters. Calculations verified that the irradiated capsule can be handled manually using hands-off tools and transported to a hot cell in a shielded container for post-irradiation characterizations.

Lee, Yong Joong [ORNL] (ORCID:0000000298381723)↗

DOE OSTI2023

Polarized electron injector for positron production at CEBAF

As a part of the effort to expand the capabilities of CE-BAF 12 GeV (Continuous Electron Beam Accelerator Facility) at Jefferson Lab, the addition of a polarized positron source is considered. This capability would provide acceleration of high duty-cycle polarized posi-trons, with spin >60% polarization, through the same main CEBAF accelerator machine with appropriate mag-net field reversals and linac phasing to the four CEBAF experimental halls. To produce this positron beam, a high average current (3-10 mA) highly polarized electron beam with energy of 100 ? 150 MeV is required at the positron source target. The focus of this paper is the de-sign of that polarized electron beam injector. We will describe the production and delivery of a >3 mA highly polarized electron beam. We will discuss different aspects of the design, the photocathode gun, beam dynamics simulation results, spin manipulation, bunching and accelerating process and final electron beam parameters.

Kazimi, R.↗

DOE OSTI2021

DESIGN AND MEASUREMENT OF THE 1.4 GHZ CAVITY FOR LEReC LINAC

The Low Energy RHIC electron Cooler (LEReC) is the first electron cooler based on rf acceleration of electron bunches. To further improve RHIC luminosity for heavy ion beam energies below 10 GeV/nucleon, a normal conducting RF cavity at 1.4 GHz was designed and fabricated for the LINAC that will provide longer electron bunches for the LEReC. It is a single cell cavity with effective cavity length shorter than half of the 1.4 GHz wavelength. This cavity was fabricated and tested on site at BNL to verify RF properties, i.e. the resonance frequency, fundamental power coupler (FPC) coupling strength, tuner system performance, and high-power tests. In this paper, we report the RF test results for this cavity.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

The Spallation Neutron Source Normal Conducting Linac RF System Design for the Proton Power Upgrade Project

The Proton Power Upgrade (PPU) project at the Spallation Neutron Source will double the available proton beam power from 1.4 to 2.8 MW by increasing the beam energy from 1.0 to 1.3 GeV and the beam current from 26 to 38 mA. The increase in beam current resulted in the need to redesign the existing normal conducting linac (NCL) RF Systems. High-power testing of the existing NCL RF Systems configured to accelerate PPU-level beam provided the data used to make the final design decisions. This paper describes the development and execution of those in-situ tests and the subsequent results.

Moss, John↗

DOE OSTI2025

2 Kelvin helium distribution system for the Electron Ion Collider’s 10 o’clock satellite refrigerator

The Electron-Ion Collider (EIC) at Brookhaven National Laboratory (BNL) will involve superfluid helium cooling of superconducting magnets and Superconducting Radio Frequency (SRF) cavities at several sites around the existing Relativistic Heavy Ion Collider (RHIC) accelerator tunnel. While the majority of the cooling power for these loads is provided by BNL’s central cryogenic plant, Jefferson Lab is designing satellite equipment which augments the central plant and enables 2 Kelvin operation. The 2 K cryogenic distribution system for the collider’s 10 o’clock location (Interaction Region 10 or IR10) includes all necessary interfaces to the IR10 Satellite Refrigerator, to the overall EIC cryogenic distribution system, and to 12 SRF cryomodules for the electron and hadron storage rings. In addition to providing the required cooling capacities in all operating modes, the IR10 2 K cryogenic distribution system also stabilizes the supply temperature and enables safe connection and disconnection of individual IR10 cryomodules. Moreover, the layout of the IR10 2 K cryogenic distribution system copes with challenging spatial constraints and adapts to the process configuration and routing of existing RHIC cryogenic distribution components which will be re-used for EIC. This paper gives a full overview of the IR10 satellite cryogenic distribution system design, and highlights some of the challenges encountered.

Laverdure, Nathaniel [Thomas Jefferson National Ac↗

DOE OSTI2020

GronOR: Massively Parallel and GPU-Accelerated Non-Orthogonal Configuration Interaction for Large Molecular Systems

GronOR is a program package for non-orthogonal configuration interaction calculations for an electronic wave function built in terms of anti-symmetrized products of multi-configuration molecular fragment wave functions. The two-electron integrals that have to be processed may be expressed in terms of atomic orbitals or in terms of an orbital basis determined from the molecular orbitals of the fragments. The code has been specifically designed for execution on distributed memory massively parallel and Graphics Processing Unit (GPU)-accelerated computer architectures, using an MPI+OpenACC/OpenMP programming approach. The task-based execution model used in the implementation allows for linear scaling with the number of nodes on the largest pre-exascale architectures available, provides hardware fault resiliency, and enables effective execution on systems with distinct central processing unit-only and GPU-accelerated partitions. The code interfaces with existing multi-configuration electronic structure codes that provide optimized molecular fragment orbitals, configuration interaction coefficients, and the required integrals. Algorithm and implementation details, parallel and accelerated performance benchmarks, and an analysis of the sensitivity of the accuracy of results and computational performance to thresholds used in the calculations are presented.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

On the Life Expectancy Ot High-power CW Magnetrons for Superconducting Accelrators

Modern CW or pulse Superconducting RF (SRF) accelerators require efficient RF sources controllable in phase and power with a reduced cost. Therefore, utilization of the high-power CW magnetrons as RF sources in SRF accelerator projects was proposed in a number of works, e.g., [1, 2]. But typically, the CW magnetrons are designed as RF sources for industrial heating, and the lifetime of the tubes is not the first priority as it is required for high-energy accelerators. The high-power industrial CW magnetrons use the cathodes made of pure tungsten. The emission properties of the tungsten cathodes are not deteriorated much by electron and ion bombardments, but the latter causes sputtering of the cathode in the magnetron crossed fields. The sputtered cathode material covers the magnetron interior. This leads to sparks and discharges that limit the life of the magnetrons. We considered an analysis of magnetron failure modes vs. output power [3]. We developed a model of ionization of the residual gas in the magnetrons interaction space and simulated the spattering of the cathode in 100 kW CW magnetrons to estimate the life expectancy. Basing on results we proposed ways to increase the CW magnetrons longevity for SRF accelerators.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

On the Life Expectance of High-power CW Magnetrons for SRF Accelerators

43 PARTICLE ACCELERATORS↗

DOE OSTI2026

A Survey on the Expanding Scope and Interdisciplinary Opportunities for Processing-in-Memory Techniques

Processing-in-Memory (PIM) is emerging as a practical path to overcome the limitations of traditional von Neumann architectures. At its core, PIM systems implement computing primitives such as logic operations and multiply-accumulate acceleration through compute-in-memory, near-memory processing, or hybrid designs. The role of memory cells varies widely across technologies, acting as inputs, outputs, or analog accumulators through bit-lines and sense amplifiers. This diversity creates trade-offs in precision, bandwidth, latency, and programmability, making it difficult to build a unified understanding on the progress of the field. In this survey, we organize recent advances of PIM into three areas. First, we discuss the progress on the architectural optimizations of PIM and its integration with both DRAM and emerging non-volatile memories. Second, we examine how PIM is being used to accelerate key computing domains, including generative AI workloads and high-performance kernels, along with new approaches. Third, we highlight the growing adoption of PIM in computational sciences, where it is being applied to solve interdisciplinary problems such as genome analysis, mRNA quantification, mass spectrometry, quantum circuit simulation, wave modeling, and secure computation. Finally, we synthesize the major challenges that continue to slow PIM adoption, including manufacturing constraints, power delivery, thermal reliability, data consistency, runtime and memory-management coordination, and the difficulty of building portable software abstractions without sacrificing commercial viability. This work provides an updated, structured perspective on PIM’s potential across computing and computational sciences and the barriers that must be solved for it to reach its full impact.

Asifuzzaman, Kazi [Oak Ridge National Laboratory (↗

DOE OSTI2024

Accelerating Application Bulk Synchronous Writes in HPC Environments

High-bandwidth storage tiers are becoming more common for their capability to absorb high-rate, bursty I/Os. Notably, the designs of these fast storage tiers differ from system to system. The variation of these layers and non-uniform methods of access can pose chal- lenges for applications seeking to run at multiple HPC facilities. Therefore, in this work, we present Spectral, a rapid-output ab- straction library to accelerate application, bulk-synchronous writes on HPC systems. We design Spectral to enable applications to use high-bandwidth storage, such as node-local storage and dis- tributed, write-caches (e.g., burst buffers) transparently without requiring modifications to the application or file system source code. The key idea is to allow applications to spend most of the time performing productive work and to not require any source code changes for maximum portability on different HPC archi- tectures. Spectral internally re-routes write-only files through available, high-performance I/O resources before ultimately mi- grating them to the shared global parallel file system. For instance, on Summit, Spectral transparently places application outputs on node-local storage and then utilizes asynchronous migration to the center-wide GPFS file system. We evaluate Spectral on the Summit HPC system (1024 nodes) using the IOR benchmark and real scientific applications. Spectral shows linear performance scaling, improving application write performance by over an order of magnitude when compared to GPFS.

Khan, Awais↗