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At least 343 records · Page 19

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DOE OSTI2025

Advancing X-ray quantum imaging through Monte-Carlo simulations

Imaging with X-rays poses fundamental limits due to radiation damage of the highly energetic photons. This becomes problematic for sensitive biological systems such as subcellular structures. Lowering the radiation dose, without sacrificing the signal-to-noise ratio, would be desirable for any kind of imaging modalities involving X-rays. To achieve this goal, quantum imaging with entangled X-ray photons constitutes a promising route. Production of biphotons have been demonstrated in the X-ray regime by the process of Spontaneous Parametric Down-Conversion (SPDC). However, compared to SPDC in the regime of visible light, the production rate for X-ray biphotons is extremely low. With the introduction of new high average brightness X-ray sources, such as 4th generation synchrotrons and high repetition rate Free-Electron X-ray Lasers (XFEL), quantum imaging may become practical. We introduce a ray tracing approach using Monte-Carlo sampling, specifically designed for quantum imaging with entangled X-ray photons generated by SPDC. By simulation, the superior image quality of quantum over classical imaging methods is demonstrated using realistic experimental conditions available at high repetition rate XFELs. With these simulations, we can efficiently assist the design of future experiments at beam lines, which can substantially accelerate the advancement of X-ray quantum imaging and reduce costs.

Entangled Photons↗

DOE OSTI2022

Concept of circular-linear energy recovery accelerator to probe the energy frontier

Energy-frontier accelerators provide powerful tools performing high precision measurements confirming the fundamentals of the physics and broadening new research horizons. Such machines are either driven by circular or linear accelerators. The circular machines, having the centre-of-mass (CM) energy values reaching 200 GeV (for leptons) and above, experience beam energy loss and quality dilution, for example, due to synchrotron radiation, limiting the overall CM energy achievable and requiring a constant energy top-up to compensate the loss and the beam quality dilution. Linear colliders overcome these limitations, while the finite capabilities of generating high average current beams limits the luminosity. This is partially compensated by the quality of the colliding beams. In this work, we suggest a novel design of circular-linear accelerator based on the merging of the “non-emitting”, low-energy storage rings and energy recovery linear accelerators. We suggest using the recently considered dual-axis asymmetric cavities to enable the operation of such a system, and in particular the energy recovery from spent, high-intensity beams. The machine considered, under the scope of the SNOWMASS-2021 initiative, can be potentially used to reach ultimate energy frontiers in high-energy physics as well as to drive next generation light sources. The merging of circular and linear systems, and applications of dual axes cavities, should allow the maintaining of high beam quality, high luminosity, and high energy efficiency, while offering a flexible energy management and opening clear opportunity for reducing the running cost. We note that the numbers shown in the paper are for illustration purpose and can be improved further.

43 PARTICLE ACCELERATORS↗

DOE OSTI2023

A Comparative Evaluation and Selection of High-Temperature Heat Exchangers for Application to Integrated Energy Systems

The following report aims to create a refined and well-structured method for comparatively evaluating heat exchanger technologies for integrated energy systems that caters customers’ specific needs while meeting engineering requirements. For the evaluation, this study elevates previous evaluation metrics, enhances the knowledge base via literature and market surveys, and identifies the figures of merit with robust rationales to enhance the quality of decisions made throughout the proposed heat exchanger evaluation process. The heat exchanger designs evaluated as part of the case study are shell and tube heat exchangers, printed circuit heat exchangers, plate heat exchangers, spiral heat exchangers, and heat pipe heat exchangers. The information presented in this report is meant for industries interested in making a preliminary screening process to identify the most suitable heat exchanger design for their application of interest.

42 - ENGINEERING↗

DOE OSTI2020

Differences in Sb 2 Te 3 growth by pulsed laser and sputter deposition

High quality van der Waals chalcogenides are important for phase change data storage, thermoelectrics, and spintronics. Using a combination of statistical design of experiments and density functional theory, we clarify how out-of-equilibrium van der Waals epitaxial deposition methods can improve the crystal quality of Sb 2 Te 3 films. We compare films grown by radio frequency sputtering and pulsed laser deposition (PLD). The growth factors that influence the crystal quality for each method are different. For PLD grown films a thin amorphous Sb 2 Te 3 seed layer most significantly influences the crystal quality. In contrast, the crystalline quality of films grown by sputtering is rather sensitive to the deposition temperature and less affected by the presence of a seed layer. This difference is somewhat surprising as both methods are out-of-thermal-equilibrium plasma-based methods. Non-adiabatic quantum molecular dynamics simulations show that this difference originates from the density of excited atoms in the plasma. The PLD plasma is more intense and with higher energy than that used in sputtering, and this increases the electronic temperature of the deposited atoms, which concomitantly increases the adatom diffusion lengths in PLD. In contrast, the adatom diffusivity is dominated by the thermal temperature for sputter grown films. These results explain the wide range of Sb 2 Te 3 and superlattice crystal qualities observed in the literature. Finally, these results indicate that, contrary to popular belief, plasma-based deposition methods are suitable for growing high quality crystalline chalcogenides.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Design of monolithic piezoelectric bimorph mirrors made from lithium niobate

Recent advances in deformable mirrors based on monolithic piezoelectric substrates, such as lithium niobate, have the potential to improve the image quality of X-ray optical systems on synchrotron and free-electron laser beamlines and microscopes. However, the quantitative relationship between design parameters and the deformed shape has not been readily available in the literature. We present an analytical model, validated through finite element analysis, enabling calculation of tangential and sagittal curvatures based on mirror dimensions, crystallographic orientation, and applied voltage. We demonstrate that through the selection of material orientation, it is possible to achieve different deformed shapes (sphere, cylinder, or hyperbolic paraboloid). This methodology can be generalized to other piezoelectric materials and substrate-integrated actuator systems.

Marzari, Francesco [University of Trento (Italy); ↗

DOE OSTI2023

Status of MQXFB Quadrupole Magnets for HL-LHC

The MQXFB magnets are superconducting quadrupoles with nominal peak field on the conductor of 11.3 T. With their magnetic length of 7.2 m, they stand as the longest Nb3Sn accelerator magnets designed and manufactured up to now. Together with the companion MQXFA 4.2 m long units, built by the US Accelerator Research Program, they are at the heart of HL-LHC, as they shall replace the inner triplet quadrupoles at either side of the ATLAS and CMS interaction regions of the LHC. This technology has benefited from many years of development, and this specific design was validated with successful short models (MQXFS, 1.2 m long). More recently, several MQXFA magnets were shown to satisfy HL-LHC requirements. In this paper, we report on the cold test results of four MQXFB magnets, focusing on performance, training, behavior after thermal and powering cycles, and field quality. We then provide an update of the overall status, including ongoing verifications of design changes at the level of the coil fabrication.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

THERMAL/STRUCTURAL ANALYSIS OF THE AXION QUANTUM METROLOGY CAVITY AND ITS COMPONENTS

This research was centered around maximizing the capability to cool dielectric material within a containment unit, or Photonic Band Gap (PBG) cavity, designed for detecting axion dark matter and identifying the unit’s thermal properties. There are multiple types of PBG cavities, but the latest version that axion researchers wish to use has been theorized to contain possible issues related to its thermal properties. Thermal conductivity is an issue with the dielectric material because it is made from alumina which is highly insulative. This is important since the research is being done in a cryogenic environment and the thermal noise affects the quantum bit used for detecting the axion to photon conversion process. Therefore, any improvements to this unit should be justified and implemented but are not entirely limited to thermal contact related aspects of PBG cavities. A prospect of using sapphire in place of alumina also exists, but this is a more expensive, less tested, and more elusive material to justify the creation of a full dielectric structure out of sapphire. Thermal aspects of the cavity were analyzed using finite element method (FEM) and an experiment designed to test different thermal joint materials. FEM was used to check the contraction of the cavity during cooling, the contact quality between the dielectric material and cavity wall, theheat flow rate through the assembly, and helps visualize the cavity’s reaction to different design changes. A simple comparison between thermal conductivity curves justified the usage of sapphire over alumina from a thermal property point of view. Thus, the method of experimentation had an additional dielectric material, sapphire, to test with and compare to alumina. The thermal test identified which material is best to use for a thermal joint but also simultaneously found the conductance of the joint and dielectric material as well as an estimate for what the temperature is inside the larger scale cavity since a thermometer cannot be placed inside the PBG when it cools. Initially, the cavity simulation was tested for structural deformation properties and stress distribution since it is made of copper which contracts heavily in comparison to most other materials. The reduction in volume of the cavity was less than anticipated which gave more room for a possible usage of a modified thermal joint for additional contact area and higher conductivity.

43 PARTICLE ACCELERATORS↗

DOE OSTI2023

Compact Multicell Superconducting Crab Cavity for ILC

We propose a novel design of a crab cavity (CC) for the ILC project with low parasitic High Order Modes (HOM) losses and preserving the beam emittance, which is critical for operation with high beam current intensity. Multiple electrodes immersed in the hollow waveguide form a trapped-mode resonator. The transverse components of the electromagnetic field of the trapped dipole mode induce a transverse kick and efficiently deflect charged particles passing through the cavity. We present a scalable design of a superconducting Quasi-waveguide Multicell Resonator (QMiR) seamlessly connected with a beam vacuum chamber. The cavity is completely open at both ends, which significantly reduces the maximum loaded quality factor of the higher order modes (HOM), avoids complex HOM couplers, and thus simplifies the mechanical design of the cavity. The same port is used to feed RF power to the operating mode and to extract the same order modes (SOM). Finally, we estimate the expected cryogenic losses, HOM impedance limits, RF input power required, and frequency tuning for a QMiR cavity designed to operate at 2.6 GHz.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Methane foam performance in oil-wet unconsolidated porous media: A systematic experimental investigation at reservoir conditions

Methane foam performance was systematically evaluated using high-pressure and high-temperature experiments performed on oil-wet proppant packs. The sensitivities of foam performance to various key factors, including surfactant concentration, foam quality, total injection rate, salinity, operating pressure, and initial oil saturation were examined. The results showed that even though the foamability and foam strength in oil-wet proppant packs were adversely affected by wettability and presence of oil, the steady-state pressure drops across the proppant packs were insensitive to the quantity of oil initially present. The presence of oil above the critical oil saturation impeded the onset of foam generation. This suggested that the foamability of surfactants depends on the synergetic effects of surfactant’s ionic nature and foam parameters, such as foam quality and total injection rate, on their ability to reduce the oil saturation to a threshold value below which favorable bubble generation sites could be created. It was observed that, for low injection rate, anionic surfactant was ineffective at low salinity conditions, while amphoteric agent performed well at all salinities. Additionally, an increase in salinity resulted in enhanced pressure drop across the proppant packs for both anionic and amphoteric surfactants. Further, the results also established that too high operating pressures are somewhat detrimental to the foam strength and stability, irrespective of the ionic nature of foaming agents and the wettability of the porous medium. For the anionic surfactant, the increase in the total flow rate was found to mitigate the adverse effects of low salt concentration and operating pressure. Results from quality-sensitivity foam tests identified two regions for the foam behavior, named low-quality and high-quality regimes, separated by the transition foam quality. Finally, we discuss the implications of the results for the design and effective implementation of enhanced oil recovery (EOR) schemes that deploy hydrocarbon-based foams.

02 PETROLEUM↗

DOE OSTI2025

Toward a sustainable circular economy of multilayer plastic films: Life cycle and techno-economic assessment with a focus on end-of-life treatment and multiple recovery cycles

This study presents a life cycle assessment (LCA) and techno-economic analysis (TEA) of end-of-life technologies for treating polyethylene–polyamide barrier film waste, focusing on quality degradation across recovery cycles. Novel treatment methods are experimentally validated, while others are drawn from literature and industry consultations. A displacement approach, assuming no quality loss, is first applied. Results show that solvent-based recycling via the solvent-targeted recovery and precipitation (STRAP) process outperforms alternatives across environmental indicators, reducing global warming potential (GWP) by 40% compared to landfilling. Incineration performs worst in most categories, particularly eutrophication (80% higher than landfilling), due to nitrogen emissions. Experimentally validated downcycling (pelletizing) proves more economically viable. The assumption of infinite recoverability is overly optimistic. To address this, we propose a mathematical framework accounting for a finite number of recovery cycles. This refined model shows reduced GWP and cost savings for solvent recovery, making its benefits less pronounced than initially estimated. Sensitivity and uncertainty analyses reveal strong dependence on recovered material quality and solvent recovery efficiency, underscoring the need for optimized process design. Finally, hotspot analysis identifies greenhouse gas emissions from the polyamide supply chain as the dominant GWP contributor. In conclusion, the results underscore potential trade-offs across pathways and show that solvent-based recovery’s sustainability depends heavily on process conditions.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Hybrid Entanglement Distribution between Remote Microwave Quantum Computers Empowered by Machine Learning

Superconducting microwave circuits with Josephson junctions, the major platform for quantum computing, can only reach the full capability when connected. This requires an efficient protocol to distribute microwave entanglement. While quantum computers typically use discrete-variable (DV) methods for information encoding, the entire continuous-variable (CV) degree of freedom in electromagnetic fields must be utilized to achieve the highest entanglement distribution rate. Here, we propose a hybrid protocol to resolve the incompatibility between DV microwave quantum computers and CV quantum communications. CV microwave entanglement is distributed using optical swapping of optical-microwave entanglement pairs. To interface with DV microwave quantum computers, we further design a hybrid circuit to simultaneously convert and distill high-quality DV entanglement from noisy CV entanglement. The hybrid circuit is trained with machine-learning algorithms, ensuring high entanglement fidelity and generation rate. In conclusion, our work not only provides a practical method to realize efficient quantum links for superconducting microwave quantum computers, but also opens avenues to bridge the gap between DV and CV quantum systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Scalable Federated Learning for Scientific Foundation Models on Leadership-Class Systems

Federated learning (FL) at leadership-class HPC systems remains largely unexplored, despite growing interest in deploying federated workflows on modern HPC systems. This paper provides the first system-level empirical characterization of federated fine-tuning of pretrained foundation models on an exascale supercomputer under a multi-node deployment. Using up to 96 concurrent FL clients deployed across Frontier nodes, we study the impact of client scale, model size, data heterogeneity, partial participation, and differential privacy on runtime, communication overhead, and convergence stability. Our results show that pretrained transformer models remain robust to heterogeneity, client dropout, and privacy noise, while system efficiency degrades rapidly with scale as synchronizat and orchestration dominate runtime. We further demonstrate that system-aware execution strategies, including intra-node aggregation and early aggregation, significantly reduce wall-clock time without degrading model quality. These findings establish a practical performance baseline and inform the design of communication-efficient FL systems on leadership-class HPC platforms.

Kotevska, Olivera [ORNL] (ORCID:0000000316772243)↗

DOE OSTI2024

PIPES (Pipeline for Integrated Projects in Energy Systems) [SWR-24-89]

The Pipeline for Integrated Projects in Energy Systems (PIPES) is a comprehensive project, data, and workflow management tool designed for integrated modeling teams. PIPES facilitates the management of data requirements, tasks, and progress tracking, serving as a higher-level integration layer that works across various data and modeling software. This tool integrates models, data, and tools to perform large-scale, integrated analysis work at scale. PIPES is designed to streamline integrated modeling projects, enhance collaboration, and ensure the quality and efficiency of data management and workflow processes. https://github.com/nrel-pipes/pipes-api https://github.com/nrel-pipes/pipes-web https://github.com/nrel-pipes/nrel-pipes

Gu, Jianli↗

DOE OSTI2025

Pipeline for Integrated Projects in Energy Systems (PIPES): A Tool for Integrated System Planning [Slides]

The Pipeline for Integrated Projects in Energy Systems (PIPES) is a comprehensive project, data, and workflow management tool designed for integrated modeling teams. PIPES facilitates the management of data requirements, tasks, and progress tracking, serving as a higher-level integration layer that works across various data and modeling software. This tool integrates models, data, and tools to perform large-scale, integrated analysis work at scale. PIPES is designed to streamline integrated modeling projects, enhance collaboration, and ensure the quality and efficiency of data management and workflow processes. This presentation introduces PIPES a multi-model tool for integrated system planning; it describes the underlying architecture, deep dives into common user workflows, and outlines the upcoming development roadmap beyond its current alpha state.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2023

Direct Ink-Write Printing of Ceramic Clay with an Embedded Wireless Temperature and Relative Humidity Sensor

This research presents a simple method to additively manufacture Cone 5 porcelain clay ceramics by using the direct ink-write (DIW) printing technique. DIW has allowed the application of extruding highly viscous ceramic materials with relatively high-quality and good mechanical properties, which additionally allows a freedom of design and the capability of manufacturing complex geometrical shapes. Clay particles were mixed with deionized (DI) water at different ratios, where the most suitable composition for 3D printing was observed at a 1:5 w/c ratio (16.2 wt.%. of DI water). Differential geometrical designs were printed to demonstrate the printing capabilities of the paste. In addition, a clay structure was fabricated with an embedded wireless temperature and relative humidity (RH) sensor during the 3D printing process. The embedded sensor read up to 65% RH and temperatures of up to 85 °F from a maximum distance of 141.7 m. The structural integrity of the selected 3D printed geometries was confirmed through the compressive strength of fired and non-fired clay samples, with strengths of 70 MPa and 90 MPa, respectively. This research demonstrates the feasibility of using the DIW printing of porcelain clay with embedded sensors, with fully functional temperature- and humidity-sensing capabilities.

42 ENGINEERING↗

DOE OSTI2025

Quantum Software Engineering (Dagstuhl Seminar 24512)

The Dagstuhl Seminar 24512 on "Quantum Software Engineering" was held from December 15 to 20, 2024. It brought together 26 participants from industry and academia from 13 different countries, including senior and junior researchers as well as practitioners in the field of Quantum Software Engineering. The aim of the seminar was to advance software engineering methods and tools for the engineering of hybrid quantum systems by promoting personal interaction and open discussion among researchers who are already working in this emerging area of knowledge. The first day of the seminar was devoted to the topic "When software engineering meets quantum mechanics", while the second day focused on "Quantum software engineering and its challenges." During both days, 16 invited presentations were given. The rest of the seminar was organized into three working groups to address the topics "Quantum Software Design, Modelling and Architecturing", "Adaptive Hybrid Quantum Systems", and "Quantum Software Quality Assurance". The seminar was a very fruitful experience for all participants both in terms of scientific outcomes and in terms of the personal relationships that were generated to jointly address future experiences.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Regional Feedstock Partnership Biomass Quality Assessment Final Report

The United States (U.S.) Department of Energy (DOE) developed the Billion-Ton Vision to enable production of one-billion tons of sustainable, reliable biomass for the bioenergy industry by 2030 (Perlack et al., 2005). The Sun Grant Regional Feedstock Partnership (RFP) was organized to fill information gaps and validate biomass yield assumptions related to the Billion-Ton Study (Owens, 2018; Owens, Karlen, and Lacey, 2016). Along with the more than 130 scientific publications generated from these studies, yield and sustainability data from the RFP field trials not only validated the Billion-Ton estimates, but were critical in developing both the U.S. Billion-Ton Update report in 2011 and the 2016 Billion-Ton Report (DOE, 2011; 2016). The intention of this biomass quality assessment report is to build on these initial successes from the RFP field trials by focusing on variability in biomass quality data necessary to evaluate conversion performance. This report contains a summary of chemical quality results from samples collected as part of the RFP field trials. This report focuses on assessment of the impact of experimental agronomic designs on biomass properties followed by analyses of the impact of environmental and production variables on biomass properties. Datasets include species and other genetic variables, fertilizer treatments, harvest information, and yield, as well as other publicly available data such as precipitation, temperature, soil properties, and drought. The key outcomes from this chemical quality focused assessment have included: • Complete evaluation of the impacts of agronomic designs, genetics, and environmental conditions on chemical properties for Miscanthus, switchgrass, sorghum, energycane, mixed perennial grasses, and shrub willow short-rotation feedstocks • Over 30 peer review publications and technical reports focused on variability in quality data • Development of spatial and temporal environmental quality prediction maps for Miscanthus and switchgrass feedstocks allowing for comprehensive evaluation of variability in feedstock chemical quality across U.S. regions and over multiple harvest years

09 BIOMASS FUELS↗

DOE OSTI2023

Quality Ranking of Unary Fluoride Salt Property Data in MSTDB-TP

Molten salt reactor developers rely on thermal property data to design, license and operate the reactors they are developing. The Molten Salt Thermal Database-Thermophysical Properties (MSTDB-TP) is being developed under the DOE Nuclear Energy Advanced Modeling and Simulation (NEAMS) program and managed by Oak Ridge National Laboratory. The MSTDB-TP is intended to serve as a single source of measured thermophysical property values for a wide variety of molten salt systems available to researchers, molten salt reactor developers, and regulators. These properties include melting and boiling points, heat capacity, density, viscosity and thermal diffusivity and conductivity. Published measurements of molten salt properties are lacking for many salts and the data that are available are often inconsistent. This creates a challenge for MSR developers in determining which property values to select when designing their reactors. The MSDTDB-TP collects all available property data and down-selects to preferred data sets or correlations. It is the purpose of this work to apply a recently developed ranking system that indicates the quality of property values listed in the database to inform decisions about how to use the available data. Quality assessments and rankings are being applied to data in MSTDB-TP to provide an indication of the quality of the data available. A previous report detailed the ranking system that was followed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗