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At least 73 records · Page 4

Final Physics Design of Proton Improvement Plan-II At Fermilab

This paper presents the final physics design of the Proton Improvement Plan-II (PIP-II) at Fermilab, focusing on the linear accelerator (Linac) and its beam transfer line. We address the challenges in longitudinal and transverse lattice design, specifically targeting collective effects, parametric resonances, and space charge nonlinearities that impact beam stability and emittance control. The strategies implemented effectively mitigate space charge complexities, resulting in significant improvements in beam quality -- evidenced by reduced emittance growth, lower beam halo, decreased loss, and better energy spread management. This comprehensive study is pivotal for the PIP-II project's success, providing valuable insights and approaches for future accelerator designs, especially in managing nonlinearities and enhancing beam dynamics.

43 PARTICLE ACCELERATORS↗

In-Silico Design of Next Generation Cellulose-Derived Packaging Materials (CRADA Final Report)

Developing sustainable solutions for single-use packaging is an important objective to combat the environmental crisis of plastics pollution. Most embodiments of cellulose-based packaging materials, including CellophaneTM, are completely biodegradable in both terrestrial and marine environments. However, petroleum-derived alternatives offer some performance advantages for metrics such as moisture barriers and mechanical properties. This project leverages molecular dynamics simulation to investigate how molecular modifications to cellulose-based polymer assemblies impact their material properties. An important performance criterion for the modified materials was to retain biodegradability; thus, modifications by naturally occurring, biodegradable additives were the focus of this study. Specifically, we developed models with xylan and lignin of varying monomeric compositions into the cellulose matrix. The mechanical properties were investigated by performing stress-strain simulations, and the water barrier and hydrophobicity were investigated by simulating the water contact angle. Our findings indicate that the incorporation of xylan into the cellulose matrix tends to increase the mechanical properties with an optimal loading of ~27 wt%. We also predict that orienting the nanoscale directionality of the xylan chains such that they are perpendicular to the cellulose fibrils will dramatically increase mechanical strength. In contrast, the incorporation of lignin tends to weaken the composite at all loadings investigated. Simulations of water contact angle predicted that coating polymers on the surface of the cellulose assembly creates a more hydrophobic surface than incorporating them throughout the matrix. Of the coatings investigated, lignin resulted in the most hydrophobic surface, followed by pectin and keratin, which both imparted modest increases in hydrophobicity. Future experimental work done by Futamura will focus on designing material prototypes to capitalize on the predictions of performance enhancement obtained from molecular modeling. While substantial progress was made by the simulations performed in this project, there still exists a vast parameter space that we were unable to investigate, including branching, functional group decoration, and degree of polymerization of polymer additives. However, the methods developed in this initial investigation will facilitate more rapid evaluation of the impact of molecular characteristics on the performance of biopolymer composite materials and thereby accelerate future materials discovery efforts in this area.

36 MATERIALS SCIENCE↗

Fermilab Main Injector and Recycler Operations in the Megawatt Era

Significant upgrades to Fermilab’s accelerator complex have accompanied the development of LBNF (the Long Baseline Neutrino Facility) and DUNE (Deep Underground Neutrino Experiment). These improvements will facilitate 1-MW operation of the NuMI (Neutrinos at the Main Injector) beam for the first time this year through changes to the Recycler slip-stacking procedure and shortening of the Main Injector ramp time. The modifications to the Recycler slip-stacking and efforts to reduce the duration of the Main Injector ramp will be discussed. Additionally, details regarding further shortening of the ramp time and the subsequent impacts on future accelerator operations are presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Fermilab Main Injector and Recycler Operations in the Megawatt Era

Significant upgrades to Fermilab's accelerator complex have accompanied the development of LBNF (the Long Baseline Neutrino Facility) and DUNE (Deep Underground Neutrino Experiment). These improvements will facilitate 1-MW operation of the NuMI (Neutrinos at the Main Injector) beam for the first time this year through changes to the Recycler slip-stacking procedure and shortening of the Main Injector ramp time. The modifications to the Recycler slip-stacking and efforts to reduce the duration of the Main Injector ramp will be discussed. Additionally, details regarding further shortening of the ramp time and the subsequent impacts on future accelerator operations are presented.

43 PARTICLE ACCELERATORS↗

Development of a CRISPR/Cas9 system for high efficiency multiplexed gene deletion in Rhodosporidium toruloides

The oleaginous yeast Rhodosporidium toruloides is considered a promising candidate for production of chemicals and biofuels thanks to its ability to grow on lignocellulosic biomass, and its high production of lipids and carotenoids. However, efforts to engineer this organism are hindered by a lack of suitable genetic tools. In this paper, we report the development of a CRISPR/Cas9 system for genome editing in R. toruloides based on a fusion 5S rRNA–tRNA promoter for guide RNA (gRNA) expression, capable of greater than 95% gene knockout for various genetic targets. Additionally, multiplexed double-gene knockout mutants were obtained using this method with an efficiency of 78%. Finally, this tool can be used to accelerate future metabolic engineering work in this yeast.

09 BIOMASS FUELS↗

A review of challenges, barriers, and opportunities for large-scale deployment of cool surfaces

Major urban centers are warming due to a combination of global and local phenomena. City governments are increasingly adopting strategies to mitigate the causes and impacts of extreme heat on their populations. Among these strategies are high solar-reflectance (cool) surfaces installed on building roofs and walls. Use of cool surfaces is a cost-effective and simple strategy that replaces conventional darker surfaces with surfaces that have a high reflectance to shortwave (solar) energy. This report reviews the recent history of cool-surface deployment efforts. This includes peer-reviewed literature, conference proceedings, and grey literature to identify challenges and barriers to wide-scale deployment of cool surfaces. We have also researched heat action plans and programs from cities and different codes and standards, as well as available incentive and rebate programs. The review identifies challenges, barriers, and opportunities associated with large-scale deployment of cool surfaces and categorize them broadly as being related to product development & performance or policies & mandates. It provides a foundation upon which we intend to build a roadmap for rapidly accelerating future deployments of cool surfaces. Finally, this roadmap will address identified challenges and incorporate lessons learned from historical efforts to generate a practical and actionable plan.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Agnostic capture of pathogens for the detection and diagnostics of emerging threats

The continued emergence of pathogens, whether novel, re-emerging, or engineered, poses a persistent global biosecurity and public health challenge. Recent outbreaks, including COVID-19, Lassa fever, Marburg virus, mpox, and avian influenza, underscore the urgent need for robust systems that enable rapid surveillance, early diagnosis, and timely countermeasures before widespread human transmission occurs. In this article, we focus on early detection technologies and systematically evaluate current diagnostic and sensing modalities. We highlight sequencing and spectroscopy as two complementary approaches capable of providing broad, agnostic detection and rich biological insight. Our analysis emphasizes that scientific innovation alone is insufficient: effective preparedness also requires improved data curation, integration, and sharing to build AI-ready resources that accelerate future responses. We argue for coordinated advances in both technological capabilities and supporting infrastructure to enable the rapid identification and characterization of emerging pathogens and to fully leverage modern science against evolving infectious threats.

Environmental health↗

Metall: A persistent memory allocator for data-centric analytics

Data analytics applications transform raw input data into analytics-specific data structures before performing analytics. Unfortunately, such data ingestion steps are often more expensive than analytics. In addition, various types of NVRAM devices are already used in many HPC systems today. Such devices will be useful for storing and reusing data structures beyond a single process life cycle. We developed Metall, a persistent memory allocator built on top of the memory-mapped file mechanism. Metall enables applications to transparently allocate custom C++ data structures into various types of persistent memories. Metall incorporates a concise and high-performance memory management algorithm inspired by Supermalloc and the rich C++ interface developed by Boost.Interprocess library. On a dynamic graph construction workload, Metall achieved up to 11.7x and 48.3x performance improvements over Boost.Interprocess and memkind (PMEM kind), respectively. We also demonstrate Metall’s high adaptability by integrating Metall into a graph processing framework, GraphBLAS Template Library. Here this study’s outcomes indicate that Metall will be a strong tool for accelerating future large-scale data analytics by allowing applications to leverage persistent memory efficiently.

97 MATHEMATICS AND COMPUTING↗

Unraveling plant phenotype to genotype associations with daily hyperspectral traits in Populus trichocarpa

Hyperspectral remote sensing is a powerful, high-throughput phenotyping tool that quantifies physiologically and structurally relevant wavelengths across diverse genotypes and over varying temporal scales. In this study, we combined tower-based continuous hyperspectral sensing with genome-wide association studies to analyze 1423 wavebands (400-900 nm) and derivative vegetation indices across 505 genotypes and the genetic architecture of hyperspectral phenotypes over time in Populus trichocarpa Torr. & Gray grown under field conditions. Wavelengths related to chlorophyll and carotenoid absorption spectra exhibited the strongest genetic variation resulting in 98 significant SNP associations. Notably, we found substantial overlap in genetic association between the blue and red spectral regions, indicative of carotenoids and chlorophyll, respectively, and identified more than 10 candidate genes associated with chloroplast function, underpinning photosynthetic activity. Furthermore, fluctuations in associations for vegetative indices, such as the chlorophyll:carotenoid index (CCI), across the growing season reveal a temporally dynamic genetic architecture of physiological traits associated with fall senescence of this temperate tree species. Finally, we also observed correlations (spearman rho = 0.3, p < 1x10 −8 ) between individual wavebands or vegetative indices and growth rate, assessed as the relative change of tree height over the growing season. The growth rate prediction was substantially improved by a regularization multivariate model (spearman rho>0.5, p < 1x10 −16 ), reinforcing the value of hyperspectral measurements for predicting traits linked to tree productivity. These findings highlight the potential of high-throughput, rapid, hyperspectral genome wide association studies GWAS to uncover physiologically meaningful genetic variation and offer promising insights for future acceleration for plant breeding.

09 BIOMASS FUELS↗

Transferable Kinetic Monte Carlo Models with Thousands of Reactions Learned from Molecular Dynamics Simulations

Molecular dynamics (MD) simulation of complex chemistry typically involves thousands of atoms propagating over millions of time steps, generating a wealth of data. Traditionally these data are used to calculate some aggregate properties of the system and then discarded, but we propose that these data can be reused to study related chemical systems. Using approximate chemical kinetic models and methods from statistical learning, we study hydrocarbon chemistries under extreme thermodynamic conditions. We discover that a single MD simulation can contain sufficient information about reactions and rates to predict the dynamics of related yet different chemical systems using kinetic Monte Carlo (KMC) simulation. Our learned KMC models identify thousands of reactions and run four orders of magnitude faster than MD. In conclusion, the transferability of these models suggests that we can viably reuse data from existing MD simulations to accelerate future simulation studies and reduce the number of new MD simulations required.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Scaling of magnetized inertial fusion with drive current rise-time

The Magnetized Liner Inertial Fusion (MagLIF) concept [Slutz et al. Phys. Plasmas 17, 056303 (2010); Gomez et al. Phys. Rev. Lett. 113, 155003 (2014)] is being studied on the Z facility at Sandia National Laboratories. MagLIF is a specific example of the more general Magnetized Inertial Fusion (MIF) approach to fusion. Numerical simulations indicate that yields approaching 100 kJ should be possible on the Z machine and much higher yields (10–1000 MJ) should be possible with pulsed power machines producing larger drive currents (45–60 MA) [Slutz et al. Phys. Plasmas 23, 022702 (2016)]. A significant advantage of MIF is that the implosions can be driven more slowly than conventional inertial fusion. In general, the efficiency of pulsed power machines increases with the current rise-time; however, we show by numerical simulation that the current and energy required to obtain a given fusion gain increase monotonically with the current rise-time over the range (10–500 ns). In conclusion, these results can be used to optimize the design of future accelerators to drive MIF concepts such as MagLIF. We also show that the required preheat energy increases strongly with current rise-time, which indicates that very long current rise-times are not desirable at least for MagLIF.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A density-functional theory study of the Al/AlOx/Al tunnel junction

The aluminum oxide tunnel junction is a key component of the majority of superconducting quantum devices. For high-quality, reproducible, and scalably manufacturable qubits, the ability to fabricate Josephson junctions (JJs) with a targeted critical current and high uniformity is essential. In this study, we use first-principles modeling to assess fundamental aspects of the atomic structure of both amorphous and crystalline aluminum oxide tunnel junctions and relate the structure to predicted performance metrics. We use modified ab initio molecular dynamics to develop realistic models of the tunnel junction, from which interface roughness and local thickness fluctuations are analyzed in an unbiased manner by training a neural network to identify the boundary between metal and oxide. We show that the effective thickness of the insulating part of the junction can be different from the apparent physical thickness. We calculate the rate of Cooper pair tunneling for the atomically resolved electrostatic potential using direct numerical solution in 3D, which shows a channeling effect that impacts the junction critical current. The predicted critical current is a useful JJ design parameter that can be accessed from the ab initio calculations without fitting parameters. To assess the limits of uniformity and fabrication choices (e.g., oxidation vs epitaxy), we compare the amorphous junctions to crystalline models, which show order of magnitude more efficient tunneling compared to the amorphous case, underlining the connection between atomistic structure and Cooper pair tunneling efficiency. Further, this work provides a foundation for ab initio materials design and evaluation to help accelerate future development of improved tunnel junctions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Toward an integrated multi-gigahertz ionizing particle diagnostic

Needs arising at both current and future accelerator facilities call for the development of radiation-hardened position-sensing diagnostics that can operate with multi-GHz repetition rates. Such instruments are likely to also have applications in the diagnosis of rapid plasma behavior. Here, building on the recent work of our Advanced Accelerator Diagnostics Collaboration, we are exploring the development of integrated multi-GHz ionizing particle detection systems based on chemical-vapor deposition diamond sensors, with the initial goal of producing a quadrant detector that can determine the intensity and centroid position of a particle beam at a repetition rate between 5 and 10 GHz. Results from our initial high-speed characterization work are presented, including those from a single-channel sensor with a GHz response. Approaches to achieving multi-GHz (5–10 GHz) rate capability, including the design of a dedicated Application Specific Integrated Circuit and the use of 3D RF-solver computer aided design software, are presented and discussed in more detail. 3D RF simulations suggest clean pulses of duration less than 250 ps (FWHM less than 125 ps) can be achieved with the approaches developed by this work.

43 PARTICLE ACCELERATORS↗

Demonstration of a code coupling framework for modeling beam-collimator impacts in the advanced photon source

The high-brightness beams being produced in current and future accelerators present new machine protection concerns with the potential for high-energy-density (HED) conditions ( >100 J/mm 3 ) in beam-intercepting components. Simulating HED conditions in accelerators requires utilizing a suite of physics codes for particle dynamics, particle-matter interactions, and hydrodynamics. This paper describes a method of coupling the codes elegant, fluka, and flash to simulate the effects of a rapid beam loss in the advanced photon source storage ring and the resulting interaction of the beam and collimators. This paper expands previous work [J. Dooling et al., Collimator irradiation studies at the advanced photon source, in Proceedings of the IBIC-2023 (2023), pp. 245–249] by introducing a definition of the evolving geometry of the collimator surface as well as providing methods for simulating the absorption of synchrotron radiation and tracking shower particles produced during beam strikes. We demonstrate this framework by simulating machine conditions of the APS ring before and after its recent upgrade. Simulation results are compared with observed damage to collimators and test samples taken from the APS ring.

Accelerator/storage ring control systems↗

Cavendish Tests of Millicharged Particles

A terrestrial population of room-temperature millicharged particles can arise if they make up a dark matter subcomponent or if they are light enough to be produced in cosmic ray air showers. In a companion paper, we showed that a simple electrified shell acts as an efficient accumulator for such particles, parametrically enhancing their local density by many orders of magnitude. Here we demonstrate that Cavendish tests of Coulomb’s Law, performed since the late 18th century, function as both quasistatic accumulators and detectors for this overdensity. Reinterpretations of these past Cavendish tests thus provide some of the strongest bounds on a terrestrial millicharge population. We also propose surrounding a Cavendish test with an additional charged shell, which significantly improves the sensitivity and can even enable detection of the irreducible density of millicharged particles generated from cosmic rays. Using decades-old technology, this can outperform future accelerator searches for sub-GeV masses.

Berlin, Asher [Fermilab] (ORCID:0000000211561482)↗

Electric accumulation of millicharged particles

A terrestrial population of millicharged particles that interact significantly with normal matter can arise if they make up a dark matter subcomponent or if they are light enough to be produced in cosmic-ray air showers. Such particles thermalize to terrestrial temperatures through repeated scatters with normal matter in Earth’s environment. We show that a simple electrified shell (for example, a Van de Graaff generator) functions as an efficient accumulator of such room-temperature millicharged particles, parametrically enhancing their local density by as much as 12 orders of magnitude. This can be used to boost the sensitivity of any detector housed in the shell’s interior, such as ion traps and tests of Coulomb’s law. In a companion paper, we apply this specifically to Cavendish tests of Coulomb’s law, and we show that a well-established setup can probe a large region of unexplored parameter space, with sensitivity to the irreducible density of millicharged particles generated from cosmic rays that outperforms future accelerator searches for sub-GeV masses.

Berlin, Asher [Fermilab] (ORCID:0000000211561482)↗

Quantum Computing for Neutrino-Nucleus Scattering

Neutrino-nucleus cross section uncertainties are expected to be a dominant systematic in future accelerator neutrino experiments. The cross sections are determined by the linear response of the nucleus to the weak interactions of the neutrino, and are dominated by energy and distance scales of the order of the separation between nucleons in the nucleus. These response functions are potentially an important early physics application of quantum computers. Here we present an analysis of the resources required and their expected scaling for scattering cross section calculations. The current estimates of Trotter steps needed to achieve an energy resolution of 10 MeV and the number of CNOT gates for analyzing Ar40 highlights the need for significant improvements in algorithms. We also examine simple small-scale neutrino-nucleus models on modern quantum hardware. In this paper, we use variational methods to obtain the ground state of a three nucleon system (the triton) and then implement the relevant time evolution. To tame the errors in present-day NISQ devices, we explore the use of different error-mitigation techniques to increase the fidelity of the calculations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Contrasting advantages of learning with random weights and backpropagation in non-volatile memory neural networks

Recently, a Cambrian explosion of novel, non-volatile memory (NVM) devices known as memristive devices have inspired effort in building hardware neural networks that learn like the brain. Early experimental prototypes built simple perceptrons from nanosynapses, and recently, fully-connected multi-layer perceptron (MLP) learning systems have been realized. However, while backpropagating learning systems pair well with high-precision computer memories and achieve state-of-the-art performances, this typically comes with a massive energy budget. For future Internet of Things/peripheral use cases, system energy footprint will be a major constraint, and emerging NVM devices may fill the gap by sacrificing high bit precision for lower energy. In this work, we contrast the well known MLP approach with the Extreme Learning Machine (ELM) or NoProp approach, which uses a large layer of random weights to improve the separability of high-dimensional tasks, and is usually considered inferior in a software context. However, we find that when taking device non-linearity into account, NoProp manages to equal hardware MLP system in terms of accuracy. While also using a sign-based adaptation of the delta rule for energy-savings, we find that NoProp can learn effectively with four to six ’bits’ of device analog capacity, while MLP requires eight bit capacity with the same rule. This may allow the requirements for memristive devices to be relaxed in the context of online learning. By comparing the energy footprint of these systems for several candidate nanosynapses, as well as realistic peripherals, we confirm that memristive NoProp systems save energy compared to MLP systems. Lastly, we show that ELM/NoProp systems can achieve better generalization abilities than nanosynaptic MLP systems when paired with pre-processing layers (which do not require backpropagated error). Collectively, these advantages make such systems worthy of consideration in future accelerators or embedded hardware.

97 MATHEMATICS AND COMPUTING↗