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DOE OSTI2020

Design Optimization of A generic Fissile Solution for Mo99 production using Electron Beam-based Neutron Generator using MCNP+CFD

Molybdenum-99 ( 99 Mo) is a medical isotope used in 80% of all medical imaging procedures today. However, 99 Mo is not directly administered to patients for imaging; its decay product, technetium-99m ( 99 mTc), is a metastable isotope with a half-life of ~6 hours. Such a short half-life does not allow for production, separation, and application to a patient before decaying further. Therefore, the solution is to produce the precursor to 99 mTc, 99 Mo. 99 Mo has a half-life of 66 hours, long enough to produce the material and send it to the desired location before it fully decays. Under National Nuclear Security Administration’s (NNSA) highly enriched uranium (HEU) minimization mission, the Material Management and Minimization (M3) office leads the Molybdenum-99 (Mo-99) program. A major goal of the Mo-99 program is to develop methods of producing 99 Mo using low enriched uranium (LEU) opposed to the traditionally used HEU domestically in the U.S. Internationally, LEU is the new standard for use in research reactors and isotope production facility. In this study, we introduce a generic fissile solution system for 99 Mo production facility meeting the design requirement of 1) LEU usage as fissile material and 2) subcritical fissile system coupled with a horizontal electron beam (E-beam) accelerator. The focus of this research is to optimize a fissile solution configuration for maximum 99 Mo production yield using MCNP model, and ultimately implement the optimized design with computational fluid dynamics (CFD) model to understand thermal hydraulic behavior and solution convection characteristic. The report consists of two parts: 1) isotope yield calculation and criticality analysis with a wide range of parametric test matrix, and 2) thermal hydraulic analysis for solution mixing and cooling assessment.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

White Paper on High Temperature Superconducting Bi-2212 Magnets for Energy Frontier Circular Colliders

As the only high-temperature superconducting (HTS) material available as an isotropic, twisted, multifilamentary round wire, Bi-2212 is very promising for expanding the high-field superconducting accelerator magnet toolbox beyond the round-wire, isotropic Nb-Ti and Nb3Sn conductors used by HEP so far. In this paper, we describe the important roles that Bi-2212 might play for future high energy circular colliders including both high energy proton and muon colliders. We describe its present technology status (conductor development, magnet design concepts, prototype magnet status) and then provide a ten-year plan for >15 T accelerator magnets and >25 T solenoid magnets within an integrated strategy to engage industry and the entire US and international scientific enterprise interested in HTS magnet applications.

43 PARTICLE ACCELERATORS↗

DOE OSTI2023

High Power Targetry R&D and support for future generation accelerator

A high-power target system is a key beam element to complete future High Energy Physics (HEP) experiments. The target endures high power pulsed beam, leading to high cycle thermal stresses/pressures and thermal shocks. The increased beam power will also create significant challenges such as corrosion and radiation damage that can cause harmful effects on the material and degrade their mechanical and thermal properties during irradiation. This can eventually lead to the failure of the material and drastically reduce the lifetime of targets and beam intercepting devices. Designing a reliable target is already a challenge for MW class facilities today and has led several major accelerator facilities to operate at lower power due to target concerns. With present plans to increase beam power for next generation accelerator facilities in the next decade and the multi-year time-scale to acquire the knowledge on material behavior under such extreme environment, timely R&D of robust high-power targets is critical to fully secure the physics benefits of ambitious accelerator power upgrades. The next generation of high-power targets for future accelerators will use more complex geometries, novel materials, and new concepts allowing better high heat flux cooling methods. Advanced numerical simulations need to be developed to satisfy the physical design requirements of reliable beam-intercepting devices. In parallel, radiation hardened beam instrumentation irradiation methods for high-power targets must be further developed. Additional irradiation facilities are needed since only a few facilities worldwide offer beams for target testing, and the beam provided may not be appropriate for the specific facility or project. Thus, a comprehensive research and development program must be implemented to address the challenges that multi-MW targets face.

Pellemoine, F.↗

DOE OSTI2021

Co-design of Advanced Architectures for Graph Analytics using Machine Learning

A graph is an excellent way of representing relationships among entities. We can use graph analytics to synthesize and analyze such relational data, and extract relevant features that are useful for various tasks such as machine learning. Considering the crucial role of graph analytics in various domains, it is important and timely to investigate the right hardware configurations that can achieve optimal performance for graph workloads on future high-performance computing systems. Design space exploration studies facilitate the selection of appropriate configurations (e.g. memory) to achieve a desired system performance. Recently, the approach of accelerating graph analytics using persistent non-volatile memory has gained a lot of attention. Traditional system simulators such as Gem5 and NVMain can be used to explore the design space of these advanced memory architectures for graph workloads. However, these simulators are slow in execution thus limiting the efficiency of design space exploration studies. To overcome this challenge, we proposed a machine learning based approach to co-design advanced memory architectures for graph workloads. We tested our approach with DRAM, non-volatile memory, and hybrid memory (DRAM+NVM) using a breadth first search benchmark algorithm. Our results showed the applicability of the proposed machine learning based approach to the co-design of the advanced memory architectures. In this paper, we provide recommendations on selecting advanced memory architectures to achieve desired performance for graph workloads. We also discuss the performances of different machine learning models that were considered in this study.

Kurte, Kuldeep↗

DOE OSTI2022

Nuclear data uncertainty propagation applied to the versatile test reactor conceptual design

We report the Versatile Test Reactor (VTR) currently under development is a 300 MWth sodium-cooled fast reactor (SFR) fueled with ternary metal alloy fuel, which aims to accelerate the testing of advanced nuclear fuels, materials, instrumentation, and sensors in high flux environments that are necessary to license the next generation of advanced reactor concepts. To support the VTR design process, uncertainties associated with the nuclear data has been propagated through the reactor core neutronics calculation to global parameters of interest, such as the core multiplication factor, kinetic parameters, and various reactivity feedback coefficients, following the sensitivity based uncertainty propagation approach. By folding the sensitivity coefficients, separately computed by the generalized perturbation theory code PERSENT and Monte Carlo code Serpent 2, with the variance-covariance matrices from COMMARA-2.0, we obtain the reaction-wise, isotope-wise, and overall uncertainties for each response of interest due to nuclear data uncertainty. With Serpent 2, the statistical error of the uncertainty is obtained by propagating the statistical error of the sensitivity coefficients through the same process using a newly developed uncertainty propagation method. From both codes, the overall top uncertainty contributors are found to be the cross section of Fe-56 elastic scattering, Na-23 elastic scattering, and U 238 inelastic scattering. The large contributions of the Fe-56 elastic scattering cross sections to global parameters are due to its relatively large relative uncertainty of 5–10% in nuclear data and the large volume of Fe-containing reflector assemblies in the fairly compact VTR core design. Both codes agreed well for the overall uncertainty estimates of all responses of interest, except the delayed neutron fraction, prompt neutron generation time, and the coolant density feedback coefficient, where Serpent 2 yielded a much larger value than PERSENT due to the large statistical error of sensitivity coefficients. The calculated uncertainties are also compared to those associated with other SFR cores. Another outcome of this study is a variance-covariance matrix of reactivity coefficients, which can be used in the subsequent uncertainty propagation to the system level to investigate the impact of identified uncertainties on system responses in the safety analysis.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

Quantum Nature of Dielectric Laser Accelerators

Dielectric laser accelerators (DLAs) hold great promise for producing economic and compact on-chip radiation sources. On-chip DLAs benefit from fabrication capabilities of the silicon industry and from breakthroughs in silicon-photonic nanostructures to enhance the interaction between particles and laser fields. Seemingly unrelated recent advances in the quantum interactions of electrons and light have raised interest in the underlying classical-quantum correspondence principle at the foundations of electron acceleration. Here, we present the observation of the underlying quantum nature of DLAs: observing quantized peaks in the electron-energy spectra. Our findings demonstrate quasi-phase-matching between an electron wave function and a light wave, which also demonstrates the role of the quantum wave function in the inverse Smith-Purcell effect. We harness the capabilities of an ultrafast transmission electron microscope (UTEM) to maintain a long electron-light interaction length extending over hundreds of periods of the laser pulse, mediated by a silicon-photonic nanograting DLA. The UTEM is shown as a new platform for characterization of future DLA concepts. The results raise fundamental questions regarding the role of quantum mechanics in DLA design, and more generally about the prospects of manipulating particles’ quantum wave functions in accelerator physics.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Milestone 49 Report: Batched Sparse LA Phase 5 Implementation

Batched sparse linear algebra operations in general, and solvers in particular, have become the major algorithmic development activity and foremost performance engineering effort in the numerical software libraries work on modern hardware with accelerators such as GPUs. Many applications, ECP and non-ECP alike, require simultaneous solutions of many small linear systems of equations that are structurally sparse in one form or another. In order to move towards high hardware utilization levels, it is important to provide these applications with appropriate interface designs to be both functionally efficient and performance portable and give full access to the appropriate batched sparse solvers running on modern hardware accelerators prevalent across DOE supercomputing sites since the inception of ECP. To this end, we present here a summary of recent advances on the interface designs in use by HPC software libraries supporting batched sparse linear algebra and the development of sparse batched kernel codes for solvers and preconditioners. We also address the potential interoperability opportunities to keep the corresponding software portable between the major hardware accelerators from AMD, Intel, and NVIDIA, while maintaining the appropriate disclosure levels conforming to the active NDA agreements. The presented interface specifications include a mix of batched band, sparse iterative, and sparse direct solvers with their accompanying functionality that is already required by the application codes or we anticipated to be needed in the near future. This report summarizes progress in Kokkos Kernels and the xSDK libraries MAGMA, Ginkgo, hypre, PETSc, and SuperLU.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Distributed Optimal Power Management for Battery Energy Storage Systems: A Novel Accelerated Tracking ADMM Approach

Optimal power management (OPM) is critical for large-scale battery energy storage systems. Today’s methods often require formidable computational effort due to the design based on centralized numerical optimization. Thus, this paper investigates computationally distributed OPM where the agents based on the cells communicate over a network to cooperatively solve the OPM problem. We propose an accelerated tracking alternating direction method of multipliers (ADMM) algorithm to solve the distributed OPM. The proposed algorithm embeds dynamic average consensus and Nesterov’s acceleration technique in the ADMM algorithm. Not only is the proposed algorithm fully distributed without a need for fusion or aggregating nodes, but it also accelerates convergence. The paper formulates the OPM in a model predictive control framework where it seeks to regulate the charging/discharging power of each battery cell to minimize the total power losses and promote balanced use of the constituent cells while complying with the safety constraints. The paper provides ample simulation results to demonstrate the effectiveness and advantages of the proposed distributed OPM in terms of computation and convergence.

Farakhor, Amir↗

DOE OSTI2022

Accelerated statistical failure analysis of multifidelity TRISO fuel models

Statistical nuclear fuel failure analysis is critical for the design and development of advanced reactor technologies. Although Monte Carlo Sampling (MCS) is a standard method of statistical failure analysis for fuels, the low failure probabilities of some advanced fuel forms and the correspondingly large number of required model evaluations limit its application to low-fidelity (e.g., 1-D) fuel models. In this paper, we present four other statistical methods for fuel failure analysis in Bison, considering tri-structural isotropic (TRISO)-coated particle fuel as a case study. The statistical methods considered are Latin hypercube sampling (LHS), adaptive importance sampling (AIS), subset simulation (SS), and the Weibull theory. Using these methods, we analyzed both 1-D and 2-D representations of TRISO models to compute failure probabilities and the distributions of fuel properties that result in failures. The results of these methods compare well across all TRISO models considered. Overall, SS and the Weibull theory were deemed the most efficient, and can be applied to both 1-D and 2-D TRISO models to compute failure probabilities. Moreover, since SS also characterizes the distribution of parameters that cause TRISO failures, and can consider failure modes not described by the Weibull criterion, it may be preferred over the other methods. Finally, a discussion on the efficacy of different statistical methods of assessing nuclear fuel safety is provided.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Renewable Thermal Energy Systems Designed for Industrial Process Solutions in Multiple Industries: Preprint

Industrial decarbonization is a key area that must be accelerated, to foster the removal of fossil fuels from the provision of heat, especially at low temperatures less than 300 degrees C. This paper looks at the results of two case studies for understanding the economics and potential for renewable thermal energy systems (RTES), particularly in hybrid configurations to provide industrial process heat (IPH). The first case study looks at heat pumps for district heating, and the second, the use of linear Fresnel collectors (LFCs) coupled with phase change material (PCM) thermal energy storage (TES) for direct steam generation (DSG). Using district heat as an input for the heat pump, three cases were run harvesting energy from ambient water (5 degrees C), sewage water (20 degrees C), and a solar collector (35 degrees C). Accounting for elevated costs of infrastructure for each heat source, the levelized cost of heat (LCOH) of the first case study ranged from $4-$10 per million British Thermal Units (MMBTU). For the second case study modeling LFCs with PCM and TES, the results show that a LCOH of $9-$15 per MMBTU is possible, depending on the direct normal irradiance.

concentrated solar thermal↗

DOE OSTI2023

Status and future plans for C 3 R&D

C 3 is an opportunity to realize an e + e - collider for the study of the Higgs boson at √s = 250 GeV, with a well defined upgrade path to 550 GeV while staying on the same short facility footprint. C 3 is based on a fundamentally new approach to normal conducting linear accelerators that achieves both high gradient and high efficiency at relatively low cost. Given the advanced state of linear collider designs, the key system that requires technical maturation for C 3 is the main linac. This paper presents the staged approach towards a facility to demonstrate C 3 technology with both Direct (source and main linac) and Parallel (beam delivery, damping ring, ancillary component) R&D. The primary goal of the C 3 Demonstration R&D Plan is to reduce technical and cost risk by building and operating the key components of C 3 at an adequate scale. This R&D plan starts with the engineering design, and demonstration of one cryomodule and will culminate in the construction of a 3 cryomodule linac with pre-production prototypes. This R&D program would also demonstrate the linac rf fundamentals including achievable gradient and gradient stability over a full electron bunch train and breakdown rates. It will also investigate beam dynamics including energy spread, wakefields, and emittance growth. This work will be critical to confirm the suitability of the C 3 beam parameters for the physics reach and detector performance in preparation for a Conceptual Design Report (CDR), as well as for follow-on technology development and industrialization. The C 3 Demonstration R&D Plan will open up significant new scientific and technical opportunities based on development of high-gradient and high-efficiency accelerator technology. It will push this technology to operate both at the GeV scale and mature the technology to be reliable and provide high-brightness electron beams. The timeline for progressing with C 3 technology development will be governed by practical limitations on both the technical progress and resource availability. It consists of four stages: Stage 0) Ongoing fundamental R&D on structure prototypes, damping and vibrations. Stage 1) Advancing the engineering maturity of the design and developing start-to-end simulations including space-charge and wakefield effects. This stage will include testing of strucutres operating at cryogenic temperatures. Beam tests would be performed with high beam current to test full beam loading. Stage 2) Production and testing of the first cryomodule at cryogenic temperatures. This would provide sufficient experimental data to compile a CDR and it is anticipated for Stage 2 to last 3 years and to culminate with the transport of photo-electrons through the first cryomodule. Stage 3) Updates to the engineering design of the cryomodules, production of the second and third cryomodule and their installation. Lower charge and lower emittance beams will be used to investigate emittance growth. The successful full demonstration of the 3 cryomodules to deliver up to a 3 GeV beam and achieve the C 3 five gradient will allow a comprehensive and robust evaluation of the technical design of C 3 as well as mitigate technical, schedule, and cost risks required to proceed with a Technical Design Report (TDR).

radiation hardened magnets↗

DOE OSTI2022

Designing Cladded Components for High Temperature Nuclear Service: Part II—Design Rules

The challenge of using existing ASME Section III, Division 5, class A metallic materials for the construction of structural components of advanced reactors with corrosive coolants could be mitigated by allowing designers to use cladding to protect the base material from corrosion. However, the existing Section III, Division 5 rules provide no guidance on the evaluation of strain accumulation and creep-fatigue damage in cladded components. The availability of design rules for cladded components that do not require long-term clad material testing could promote the application of the cladding approach to accelerate the deployment schedule of these advanced reactor systems. To avoid long-term properties for the clad materials Part I of this work proposes two approximate design analysis methods for two types of clad materials—soft clads that creep much faster and have lower yield stress than the class A base material, and hard clads that creep much slower and have higher yield stress than the class A base material. The proposed analysis methods approximate the response of a soft clad by treating it as perfectly compliant and of a hard clad by treating it as linear elastic. Based on these approximate design analysis strategies this Part II develops a complete set of design rules for class A components cladded with either soft or hard clad materials. In conclusion, Part II discusses the reasoning behind the proposed design rules and uses example finite element analyses of representative reactor components to illustrate the use of these design methods.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Development of a half-meter scale Traveling-Wave (TW) SRF cavity

Traveling-wave technology can push the accelerator field gradient of niobium SRF cavity to 70MV/m or higher beyond the fundamental limit of 50~60MV/m in Standing-Wave regime. The 1st demonstration of TW resonance excitation in a proof-of-principle 3-cell SRF cavity in 2K liquid helium was successfully carried out at Fermilab in collaboration with Euclid Techlabs. In parallel with that, the RF design process of 0.5~1 meter scale TW cavity was begun at Fermilab for advancing TW technologies necessary more for future accelerator-scale one. Considering the physical dimensions of existing SRF facilities (for fabrication, processing, and cryogenic testing) and the lessons learned from the 3-cell, Fermilab has proposed a preliminary RF design of a half-meter scale TW SRF cavity. It consists of a 7-cell structure and a power feedback waveguide (WG) loop with new RF configurations to control TW resonance. Here we report a preliminary RF design, development plans, and activities.

43 PARTICLE ACCELERATORS↗

DOE OSTI2026

Microbial spies and bloggers: programming cells to convert environmental information into discernible signals

Microbes regulate their dynamic behaviors using the chemical and physical characteristics of their environment. The ability of microbes to continuously convert this physicochemical information into biochemical information and to use organic matter in the environment as a power source makes these organisms attractive as chassis for building sensors. However, most biosensors have severe limitations when considering applications in hard-to-image settings like soils, sediments, and wastewater. Emerging technologies at the interface of biomolecular design, microbiome engineering, and synthetic biology offer new tools to program cells and communities as biosensors for these settings. Here, in this review, we describe innovations in biosensor outputs that are enabling new applications in complex environments, including reporters that are read out using electrochemical, gas chromatography, hyperspectral imaging, and next-generation sequencing methods. We also discuss computational advances that are accelerating the diversification of sensing components by mining metagenomics data for new transcriptional regulators and by designing allosteric protein switches that directly regulate reporter outputs using analytes. We highlight emerging opportunities for programming undomesticated microbes in communities to function as distributed sensors in the environment. Finally, we discuss the need for responsible biosensor development and to modernize regulatory frameworks to support evidence-based assessment of environmental biosensors.

analyte↗

DOE OSTI2020

Status of the LCLS-II Cryogenic Distribution System

The LINAC Coherent Light Source II (LCLS-II) located at SLAC National Accelerator Laboratory (SLAC) in Menlo Park, CA, is a U.S. Department of Energy project tasked to design and build a world-class x-ray free-electron laser facility for scientific research. The Linac has superconducting radio frequency cryomodules that are connected to the cryogenic plant by the Cryogenic Distribution System (CDS), which consists of distribution boxes with heat exchangers and reliefs, feed caps, end caps, and surface, vertical, and bypass transfer lines. The CDS components were designed and built to specification by industry. The components have been delivered and their installation at SLAC will be discussed. The as-built relief system design will be presented, showing minimization of relief inlet pressure drops while meeting capacity requirements. The relieving flow pressure drops along the lengths of the CDS to centrally located reliefs at the distribution box were analysed to satisfy Pressure Vessel and Process Piping Code criteria to ensure relief performance. The sub-atmospheric 2 K circuit relieving approach will be discussed, which includes a three-way diverter isolation valve suitable for sub-atmospheric service. The component anchoring load design approach and installation into concrete floor will be discussed. This addresses loading, including seismic loading, along the component’s load path to floor anchoring system.

43 PARTICLE ACCELERATORS↗

DOE OSTI2022

Comparison of multiobjective optimization methods for the $\mathrm{LCLS-II}$ photoinjector

Particle accelerators are among some of the largest science experiments in the world and can consist of thousands of components with a wide variety of input ranges. These systems can easily become unwieldy optimization problems during design and operations studies. Starting in the early 2000s, searching for better beam dynamics configurations became synonymous with heuristic optimization methods in the accelerator physics community. Genetic algorithms and particle swarm optimization are currently the most widely used. These algorithms can take thousands of simulation evaluations to find optimal solutions for one machine prototype. For large facilities such as the Linac Coherent Light Source (LCLS) and others, this equates to a limited exploration of many possible design configurations. In this paper, the LCLS-II photoinjector is optimized with three optimization algorithms. All optimizations were started from both a uniform random and Latin hypercube sample. In all cases, the optimizations started from Latin hypercube samples outperformed optimizations started from uniform samples. All three algorithms were able to optimize the photoinjector, with the model-based methods approximating the Pareto front in fewer simulation evaluations. This work, in combination with previous optimization observations, indicates objective penalties have a strong impact on the efficiency of such methods. In general, we recommend heuristic methods for initial optimizations and model-based methods when information about the objective space is available.

43 PARTICLE ACCELERATORS↗

DOE OSTI2023

A Limit to Accelerated Free-Sintering: Nano-Phase Separation Interferes With Organic Debinding

Nano-phase separating Ni–12 at. pct Ag powders are processed via high-energy ball milling and brought into a supersaturated state with a reduction of the grain size to the nanocrystalline scale, a combination that is designed to encourage rapid densification by phase separation upon heating. This unstable powder is then characterized by dilatometry, in-situ x-ray diffraction, thermogravimetry and microstructure analysis for sintering cycles up to 940 °C. However, these powder compacts exhibit excessive pore evolution and significant macroscopic swelling caused by removal of the organic process additives. This competition of organic removal with densification is known in nanocrystalline metals, but the present study adds an additional dimension of phase separation, which shifts the dominant swelling mechanism as the formation of the second phase traps the volatilizing organics and hinders the debinding process. The creep swelling and overall loss in relative density is then dominated by the creep deformation of the second Ag phase. The interference between organic removal and low-temperature onset of consolidation represents a new challenge to efforts aimed at rapid free sintering and should guide the design of rapidly sintering alloys; specifically, the present work emphasizes the need to select alloys that have their sintering-accelerating phase separation temperature above the range where gases are evolved.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Co-Design of Marine Energy Converters for Autonomous Underwater Vehicle Docking and Recharging - Software and Data

Software and testing data from the OH Hinsdale Wave lab for DOE-funded project on Co-Design of Marine Energy Converters for Autonomous Underwater Vehicle Docking and Recharging. This project will perform foundational research and testing to accelerate the sector-wide development and deployment of marine energy converters to provide Power-At-Sea. Specifically, we seek to overcome known challenges and knowledge gaps for the successful co-design of coupled Wave Energy Converter (WEC)-Autonomous Underwater Vehicles (AUV) systems; systems designed and tested for WEC array system health and environmental monitoring applications. This project brings together an experienced, multi-institution, and multi-disciplinary team to focus on the co-design of marine energy (ME) technologies and AUV docking systems, including multi-body hydrodynamic modeling, active control, autonomy, and hardware interfaces necessary to enable new WEC-focused understanding, and allow for robust and ubiquitous AUV docking and recharging in real-world conditions.

16 TIDAL AND WAVE POWER↗