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At least 235 records · Page 13

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DOE OSTI2022

Derivative-free optimization of a rapid-cycling synchrotron

Here, we develop and solve a constrained optimization model to identify an integrable optics rapid-cycling synchrotron lattice design that performs well in several capacities. Our model encodes the design criteria into 78 linear and nonlinear constraints, as well as a single nonsmooth objective, where the objective and some constraints are defined from the output of Synergia, an accelerator simulator. We detail the difficulties of the 23-dimensional simulation-constrained decision space and establish that the space is nonempty. We use a derivative-free manifold sampling algorithm to account for structured nondifferentiability in the objective function. Our numerical results quantify the dependence of solutions on constraint parameters and the effect of the form of objective function.

43 PARTICLE ACCELERATORS↗

DOE OSTI2026

Development of Advanced, Radiation Resistant, Optical-based Detector Technology for Future Experiments.

The primary objective of this project has been to advance the design of high-performance electromagnetic (EM) calorimeters for future particle physics experiments, to identify and measure the timing, position and energy of electrons, positrons and gamma rays, particularly in high-luminosity environments with intense radiation and pileup conditions. To meet such challenges, the proposed research has focused on the development of ultra-compact, radiation-hard calorimeter modules, to provide excellent timing, spatial, and energy resolution. The work aligns with the DOE’s Basic Research Needs (BRN) for High Energy Physics (HEP) Instrumentation and the research team contributes actively to the Coordinating Panel on Advanced Detectors (CPAD) RDC9 calorimetry collaboration in the USA and the European Committee on Future Accelerators (ECFA) DRD-CALO calorimetry collaboration at CERN, the European Laboratory for Particle Physics located in Geneva, Switzerland. The research builds on the RADiCAL (radiation-hard, ultra-compact) modular sampling calorimeter approach, developed by the research team, which employs dense and very bright optical materials such as LYSO:Ce scintillator plates that are interleaved with very dense tungsten plates to minimize detector size while optimizing performance. The modules are comparable in size to a human index finger, dimensionally 14 mm x 14 mm in cross section and 135 mm in length. And despite the small size, the structure is capable of providing excellent timing and energy resolution. This is facilitated through the use of specialized quartz capillaries filled with wavelength-shifting filaments, positioned at various depths along the length of a module, to collect and guide light signals to silicon photomultipliers (SiPMs) which detect and convert the optical signals to electronic signals for analysis. The primary goals of this project have been: (1) Achieve a timing resolution to σ t ≤ 30 ps for high-energy electrons and photons, important for their association with specific events produced in colliding-beam experiments and for the detection of decays-in-flight of long-lived particles. The project has achieved this goal in beam tests of a single RADiCAL module at CERN, during which a timing resolution of σ t = 27 ps was measured for electrons of energy E = 150 GeV. Based upon a mathematical fit to the data measured over a broad energy range from low energy to high energy, a resolution of σ t ≤ 18 ps has been estimated for electrons of very high (TeV) energy. From these measurements and with further expected technical improvements, the timing resolution should reach σ t ≤ 10 ps, important for searches for discovery physics in upcoming and future experiments. (2) Achieve an energy resolution of σ E / E ≤ 10% / $\sqrt{E}$. The project has yet to achieve this goal, but is close to it, having measured a value of σ E / E ≤ 15.9% / $\sqrt{E}$ using a modular array. Ultimately, the resolution goal is expected to be reached by adjustments to material thicknesses within the modules, which will improve the sampling fraction to measure more precisely the shower energy for lower energy particles. The versatility of the modular RADiCAL approach enables the testing of advanced materials, photosensors and electronics, developed in collaboration with CPAD RDC and ECFA DRD-CALO groups. The structure can distinguish electrons, positrons and gamma rays from hadrons and muons and beam-induced backgrounds, making it a valuable tool in a variety of detector environments, including future circular colliders (FCC-ee, FCC-hh) proposed for the European Laboratory for Particle Physics (CERN), the muon-collider proposed for Fermi National Accelerator Laboratory (Fermilab), and searches for new physics in beam-dump, fixed target and forward-physics experiments. And, while designed with particle physics applications in mind, the technologies developed in this project have the potential for application more broadly in particle and nuclear physics, materials science, and medical physics, underscoring the far-reaching potential of this line of instrumentation research and development.

47 OTHER INSTRUMENTATION↗

DOE OSTI2020

An Update to the Letter of Intent for MATHUSLA: Search for Long-Lived Particles at the HL-LHC

We report on recent progress in the design of the proposed MATHUSLA Long Lived Particle (LLP) detector for the HL-LHC, updating the information in the original Letter of Intent (LoI), see CDS:LHCC-I-031, arXiv:1811.00927. A suitable site has been identified at LHC Point 5 that is closer to the CMS Interaction Point (IP) than assumed in the LoI. The decay volume has been increased from 20 m to 25 m in height. Engineering studies have been made in order to locate much of the decay volume below ground, bringing the detector even closer to the IP. With these changes, a 100 m x 100 m detector has the same physics reach for large c$\tau$ as the 200 m x 200 m detector described in the LoI and other studies. The performance for small c$\tau$ is improved because of the proximity to the IP. Detector technology has also evolved while retaining the strip-like sensor geometry in Resistive Plate Chambers (RPC) described in the LoI. The present design uses extruded scintillator bars read out using wavelength shifting fibers and silicon photomultipliers (SiPM). Operations will be simpler and more robust with much lower operating voltages and without the use of greenhouse gases. Manufacturing is straightforward and should result in cost savings. Understanding of backgrounds has also significantly advanced, thanks to new simulation studies and measurements taken at the MATHUSLA test stand operating above ATLAS in 2018. We discuss next steps for the MATHUSLA collaboration, and identify areas where new members can make particularly important contributions.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2026

Explainable physics-based constraints on reinforcement learning for accelerator optimization

We present a reinforcement learning (RL) framework for optimizing particle accelerator experiments that builds explainable physics-based constraints on agent behavior. The goal is to increase transparency and trust by letting users verify that the agent’s decision-making process incorporates suitable physics. Our algorithm uses a learnable surrogate function for physical observables, such as energy, and uses them to fine-tune how actions are chosen. This surrogate can be represented by a neural network or by an interpretable sparse dictionary model. We test our algorithm on a range of particle accelerator optimization environments designed to emulate the Continuous Electron Beam Accelerator Facility at Jefferson Lab. By examining the mathematical form of the learned constraint function, we are able to confirm the agent has learned to use the established physics of each environment. In addition, we find that the introduction of a physics-based surrogate enables our RL algorithms to reliably converge for difficult high-dimensional accelerator optimization environments.

explainability↗

DOE OSTI2024

Beam test results for the Endcap Timing ReadOut Chip (ETROC2) for the CMS ETL upgrade

The Endcap Timing ReadOut Chip (ETROC) for the Compact Muon Solenoid (CMS) Minimum ionizing particle Timing Detector (MTD) is designed to process Low Gain Avalanche Diode (LGAD) signals with a time resolution of 40-50ps per hit, with 30-35 ps per charged particle using two layer detector. The ETROC2, is the first full size (16x16 pixels) and full functionally design that has been tested in hadron and electron beams at CERN and DESY (Sep 2023 - June 2024). Precision timing studies at these test beams are done using a self-referential beam telescope composed of up to 4 layers/chips. This talk describes the ETROC2 beam telescope and summarizes the performance of the ETROC2 chips bump-bonded to (16x16) Fondazione Bruno Kessler (FBK) and Hamamatsu Photonics K.K. (HPK) LGAD sensors using results from recent test beams. The experiences and lessons learned during the course of these test beams are also detailed in this talk.

Safdari, Murtaza↗

DOE OSTI2021

A magnetic particle time-of-flight (MagPTOF) diagnostic for measurements of shock and compression-bang time at the NIF [National Ignition Facility]

A magnetic particle time-of-flight (MagPTOF) diagnostic has been designed to measure shock- and compression-bang time using DHe-fusion protons and DD-fusion neutrons, respectively, at the National Ignition Facility (NIF). This capability, in combination with shock-burn weighted areal density measurements, will significantly constrain the modeling of the implosion dynamics. This design is an upgrade to the existing particle time-of-flight (pTOF) diagnostic, which records bang times using DD or DT neutrons with an accuracy better than ±70 ps [H. G. Rinderknecht et al., Rev. Sci. Instrum. 83, 10D902 (2012)]. The inclusion of a deflecting magnet will increase DHe-proton signal-to-background by a factor of 1000, allowing for the first time simultaneous measurements of shock and compression-bang times in DHe-filled surrogate implosions at the NIF.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

European Strategy for Particle Physics -- Accelerator R&D Roadmap

The 2020 update of the European Strategy for Particle Physics emphasised the importance of an intensified and well-coordinated programme of accelerator R&D, supporting the design and delivery of future particle accelerators in a timely, affordable and sustainable way. This report sets out a roadmap for European accelerator R&D for the next five to ten years, covering five topical areas identified in the Strategy update. The R&D objectives include: improvement of the performance and cost-performance of magnet and radio-frequency acceleration systems; investigations of the potential of laser / plasma acceleration and energy-recovery linac techniques; and development of new concepts for muon beams and muon colliders. The goal of the roadmap is to document the collective view of the field on the next steps for the R&D programme, and to provide the evidence base to support subsequent decisions on prioritisation, resourcing and implementation.

43 PARTICLE ACCELERATORS↗

DOE OSTI2022

Microstructural heterogeneity of the buffer layer of TRISO nuclear fuel particles

Tristructural isotropic (TRISO) nuclear fuel particles contain a layered spherical shell designed to retain fission products; however, failure occurs in rare cases—commonly initiated in the porous pyrocarbon buffer layer. Achieving a comprehensive understanding of the buffer-initiated failure mechanisms requires detailed characterization of the buffer porosity and its heterogeneous distribution across multiple length scales. Here we performed FIB-SEM tomography across the buffer layer thickness (~100 µm) to produce 3D reconstructions of the buffer microstructure with 50 nm spatial resolution. We found an average overall porosity of ~14%, which does not solely account for the low density of the buffer (50% of the theoretical density). Additionally, the local porosity and its fluctuation increase from the kernel interface towards the inner pyrocarbon (IPyC) layer, which we attribute to the chemical vapor deposition process conditions during the TRISO particle fabrication. Detailed characterization of the porous microstructure—including analysis of the pore size, distribution, shape, and orientation—provides insight into the process-structure-property-performance relations of TRISO nuclear fuel particles and will inform multiscale models designed to predict the failure of TRISO particles under irradiation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Designs and Modeling of Architect Multi-material Scintillator System

We present a new conceptual radiation detector, the Architected Multimaterial Scintillator System, that utilizes a scintillator composed of multiple materials arranged in architected structures to enable new capabilities. By structuring differently-dyed materials, the wavelength of the scintillation light encodes additional information in radiation measurements. These structures can be realized through additive manufacture (3D-printing). Two classes of this concept are described and modelled using Monte Carlo simulations to evaluate their performance. The first detector design uses dye microstructures to encode particle tracking information, allowing for directional neutron detection and gamma/neutron discrimination. The second design uses a dye gradient to indicate the position of radiation along the gradient. The simulation results indicate this new concept in radiation detection can achieve strong performance in a variety of capabilities including particle identification, directionality and spectroscopy measurements, and particle position reconstruction.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Simulations of the collection of mesospheric dust particles with a rocket instrument

We investigate the collection of dust particles in the mesosphere with the MESS (MEteoric Smoke Sampler) instrument that is designed to fly on a sounding rocket. We assume that the ice particles that form in the polar mesosphere between 80 and 85 km altitude in summer contain meteoric smoke particles; and these should be collected with MESS. The instrument consists of a collection device with an opening and closure mechanism, as well as an attached conic funnel which increases the sampling area in comparison to the collection area. Dust particles are collected either directly after passing through the instrument or indirectly after colliding with and fragmenting on the funnel wall. We calculate the dust and fragment trajectories in the detector to determine the collection efficiency for different particle sizes, rocket velocities, and heights, and we find the final velocities and the temperatures of the particles. The considered design has a sampling area of 62.78 mm diameter and a collection area of 20 mm diameter. For the conditions at the rocket launch site in Andøya, Norway, we estimate the collection of meteoric smoke particles contained in the ice particles to be ~10 12 –10 14 amu mm –2 . The estimated temperatures suggest that the composition of these smoke particles is not affected by the collection. Our calculations also show that keeping the instrument open above 85 km altitude increases the amount of small smoke particles that are directly collected. The directly collected smoke particles are heated as they decelerate, which can affect their composition.

47 OTHER INSTRUMENTATION↗

DOE OSTI2025

Tailoring the Reaction Heterogeneity for Robust Li‐Rich Cathodes

The practical application of Li-rich Mn-based layered oxides (LLO) cathode is hindered by severe capacity and voltage degradation resulting from severe oxygen release and irreversible phase transition. In this work, the reaction heterogeneity, which describes the spatially resolved electrochemical divergence within individual cathode particles, is engineered through compositional gradient design to couple Li + transport kinetics and the anion redox activity between particle interiors and surfaces. It is revealed that Co/Mn concentration gradient within particles creates heterogeneous phase content distribution and structural ordering, inducing surface-bulk reaction heterogeneity that significantly impacts the overall electrochemical performance. Specifically, Li 2 MnO 3 -poor and Co-enriched surface effectively mitigates the oxygen loss and enhances electrochemical reaction kinetics, benefited from the reduced surface redox reactivity and induced highly ordered intra-layered cationic arrangement. Meanwhile, the Li 2 MnO 3 -enriched core with slight Li/Ni intermixing provides high reversible capacity and strong mechanical stability. Consequently, the greatly enhanced anion redox reversibility, Li + diffusion dynamics, and structure stability endow LLO with exceptional electrochemical properties, showing a capacity retention of 86.0% and a reduced voltage decay of 0.518 mV per cycle after 500 cycles at 1 C. This work provides a valuable strategy to tailor the redox chemistry and achieve robust LLO.

25 ENERGY STORAGE↗

DOE OSTI2025

Implementation of McMurchie–Davidson Algorithm for Gaussian AO Integrals Suited for SIMD Processors

We report an implementation of the McMurchie− Davidson evaluation scheme for 1- and 2-particle Gaussian AO integrals designed for processors with Single Instruction Multiple Data (SIMD) instruction sets. Like in our recent MD implementation for graphical processing units (GPUs) [Asadchev, A.; Valeev, E. F.. J. Chem. Phys. 2024, 160, 244109.], variable-sized batches of shellsets of integrals are evaluated at a time. By optimizing for the floating point instruction throughput rather than minimizing the number of operations, this approach achieves up to 50% of the theoretical hardware peak FP64 performance for many common SIMD-equipped platforms (AVX2, AVX512, NEON), which translates to speedups of up to 30 over the state-of-the-art one-shellset-at-a-time implementation of Obara−Saika-type schemes in Libint for a variety of primitive and contracted integrals. As with our previous work, we rely on the standard C++ programming language such as the std::simd standard library feature to be included in the 2026 ISO C++ standard without any explicit code generation to keep the code base small and portable. The implementation is part of the open source LibintX library freely available at https://github.com/ValeevGroup/libintx.

Basis sets↗

DOE OSTI2021

Substrate Partitioning into Protein Macromolecular Frameworks for Enhanced Catalytic Turnover

Spatial partitioning of chemical processes is an important attribute of many biological systems, the effect of which is reflected in the high efficiency of enzymes found within otherwise chaotic cellular environments. Barriers, often provided through the formation of compartments or phase segregation, gate the access of macromolecules and small molecules within the cell and provide an added level of metabolic control. Taking inspiration from nature, we have designed virus-like particles (VLPs) as nanoreactor compartments that sequester enzyme catalysts and have used these as building blocks to construct 3D protein macromolecular framework (PMF) materials, which are structurally characterized using small-angle X-ray scattering (SAXS). Additionally, the highly charged PMFs form a separate phase in suspension, and by tuning the ionic strength, we show positively charged molecules preferentially partition into the PMF, while negatively charged molecules are excluded. This molecular partitioning was exploited to tune the catalytic activity of enzymes enclosed within the individual particles in the PMF, the results of which showed that positively charged substrates had turnover rates that were 8500× faster than their negatively charged counterparts. Moreover, the catalytic PMF led to cooperative behavior resulting in charge dependent trends opposite to those observed with individual P22 nanoreactor particles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Improved Dust Representation and Impacts on Dust Transport and Radiative Effect in CAM5

Dust transport and spatial distribution are poorly represented in current global climate models (GCMs) including the Community Atmosphere Model version 5 (CAM5). Particularly, models lack explicit representation of super-coarse dust, which may have important implications for dust radiative forcing and impacts on biogeochemistry. A nine-mode version of the modal aerosol model (MAM9) has been developed to address these issues. In this new aerosol scheme, four dust modes have been designed to treat dust particles of sizes up to 20 μm. The MAM9-simulated results are compared with those from the default four-mode version of MAM (MAM4) and also with the in situ surface measurements of dust concentration and deposition flux, satellite-retrieved dust extinction profile, and in situ vertical measurements of dust concentrations from the NASA Atmosphere Tomography Mission (ATom). Overall, MAM9 improves the dust representation in remote regions while maintaining reasonably good results near the dust source regions. In addition, MAM9 reduces the fine dust burden and increases the coarse dust burden globally. The increased coarse dust burden has slightly increased the dust direct radiative effect by 0.01 W m –2 while it enhanced dust indirect radiative effect by 0.36 W m –2 , globally.

58 GEOSCIENCES↗

DOE OSTI2023

A detailed study of interpretability of deep neural network based top taggers

Abstract Recent developments in the methods of explainable artificial intelligence (XAI) allow researchers to explore the inner workings of deep neural networks (DNNs), revealing crucial information about input–output relationships and realizing how data connects with machine learning models. In this paper we explore interpretability of DNN models designed to identify jets coming from top quark decay in high energy proton–proton collisions at the Large Hadron Collider. We review a subset of existing top tagger models and explore different quantitative methods to identify which features play the most important roles in identifying the top jets. We also investigate how and why feature importance varies across different XAI metrics, how correlations among features impact their explainability, and how latent space representations encode information as well as correlate with physically meaningful quantities. Our studies uncover some major pitfalls of existing XAI methods and illustrate how they can be overcome to obtain consistent and meaningful interpretation of these models. We additionally illustrate the activity of hidden layers as neural activation pattern diagrams and demonstrate how they can be used to understand how DNNs relay information across the layers and how this understanding can help to make such models significantly simpler by allowing effective model reoptimization and hyperparameter tuning. These studies not only facilitate a methodological approach to interpreting models but also unveil new insights about what these models learn. Incorporating these observations into augmented model design, we propose the particle flow interaction network model and demonstrate how interpretability-inspired model augmentation can improve top tagging performance.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

The mechanics of brittle granular materials with coevolving grain size and shape

The influence of particle shape on the mechanics of sand is widely recognized, especially in mineral processing and geomechanics. However, most existing continuum theories for engineering applications do not encompass the morphology of the grains and its evolution during comminution. Similarly, the relatively few engineering models accounting for grain-scale processes tend to idealize particles as spheres, with their diameters considered as the primary and sole geometric descriptor. This paper inspires a new generation of constitutive laws for crushable granular continua with arbitrary, yet evolving, particle morphology. We explore the idea of introducing multiple grain shape descriptors into Continuum Breakage Mechanics (CBM), a theory originally designed to track changes in particle size distributions during confined comminution. We incorporate the influence of these descriptors on the elastic strain energy potential and treat them as dissipative state variables. In analogy with the original CBM, and in light of evidence from extreme fragmentation in nature, the evolution of the additional shape descriptors is postulated to converge towards an attractor. Comparisons with laboratory experiments, discrete element analyses and particle-scale fracture models illustrate the encouraging performance of the theory. The theory provides insights into the feedback among particle shape, compressive yielding and inelastic deformation in crushable granular continua. These results inspire new questions that should guide future research into crushable granular systems using particle-scale imaging and computations.

36 MATERIALS SCIENCE↗

DOE OSTI2026

hymera

Hymera is a performance portable multiscale simulation framework based on parthenon and Kokkos, that designed to push relativistic particles, governed by slowly varying, quasi static background fields

Edelmann, Philipp [@LANL]↗

DOE OSTI2022

Development of advanced diagnostic tools, models, and technoeconomic analyses for high-temperature heat transfer coefficient heat exchangers

This is a final technical report of a system designed to image fall particle receivers. High temperature heat is hard to store and move and using low cost materials, similar to sand, are ideal. However, particle-to-particle interactions can impact heat transfer mechanisms in these classes of materials. This report highlights our effects to utilize x-ray imaging to understand these dynamics.

14 SOLAR ENERGY↗