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At least 1,549 records · Page 86

Inferring assembly-curving trends of bacterial micro-compartment shell hexamers from crystal structure arrangements

Bacterial microcompartments (BMC) are complex macromolecular assemblies that participate in varied chemical processes in about one fourth of bacterial species. BMC-encapsulated enzymatic activities are segregated from other cell contents by means of semipermeable shells, justifying why BMC are viewed as prototype nano-reactors for biotechnological applications. Herein, we undertook a comparative study of bending propensities of BMC hexamers (BMC-H), the most abundant shell constituents. Published data show that some BMC-H, like β -carboxysomal CcmK, tend to assemble flat whereas other BMC-H often build curved objects. Inspection of available crystal structures presenting BMC-H in tiled arrangements permitted us to identify two major assembly modes with a striking connection with experimental trends. All-atom molecular dynamics (MD) supported that BMC-H bending is triggered robustly only from the arrangement adopted in crystals by BMC-H that experimentally form curved objects, leading to very similar arrangements to those found in structures of recomposed BMC shells. Simulations on triplets of planar-behaving hexamers, which were previously reconfigured to comply with such organization, confirmed that bending propensity is mostly defined by the precise lateral positioning of hexamers, rather than by BMC-H identity. Finally, an interfacial lysine was pinpointed as the most decisive residue in controlling PduA spontaneous curvature. Globally, results presented herein should contribute to improve our understanding of the variable mechanisms of biogenesis characterized for BMC, and of possible strategies to regulate BMC size and shape.

59 BASIC BIOLOGICAL SCIENCES↗

LEGO ® Bricks as Building Blocks for Centimeter-Scale Biological Environments: The Case of Plants

LEGO bricks are commercially available interlocking pieces of plastic that are conventionally used as toys. We describe their use to build engineered environments for cm-scale biological systems, in particular plant roots. Specifically, we take advantage of the unique modularity of these building blocks to create inexpensive, transparent, reconfigurable, and highly scalable environments for plant growth in which structural obstacles and chemical gradients can be precisely engineered to mimic soil.

54 ENVIRONMENTAL SCIENCES↗

Dynamically tunable second-harmonic generation using hybrid nanostructures incorporating phase-change chalcogenides

Nonlinear metasurfaces with high conversion efficiencies have been vastly investigated. However, strong dynamic tunability of such devices is limited in conventional passive plasmonic and dielectric material platforms. Germanium antimony telluride (GST) is a promising phase-change chalcogenide for the reconfiguration of metamaterials due to strong nonvolatile changes of the real and imaginary parts of the refraction index through amorphous-crystalline phase change. The orderly structured GST has an even higher potential in tunable second-harmonic generation (SHG) with a non-centrosymmetric crystal structure at the crystalline phase, while the amorphous phase of GST does not exhibit bulk second-order nonlinearity. Here, we experimentally demonstrate SHG switches by actively controlling the crystalline phase of GST for a GST-based hybrid metasurface featuring a gap-surface plasmon resonance, and a quarter-wave asymmetric Fabry–Perot (F–P) cavity incorporating GST. We obtain SHG switches with modulation depths as high as ~ 20 dB for the wavelengths at the on-state resonance. We also demonstrate the feasibility of multi-level SHG modulation by leveraging three controlled GST phases, i.e., amorphous, semi-crystalline, and crystalline, for the gap-surface plasmon hybrid device, which features stronger light–matter interaction and has higher resonant SHG efficiencies than the asymmetric F–P cavity device at respective GST phases. This research reveals that GST-based dynamic SHG switches can be potentially employed in practical applications, such as microscopy, optical communication, and photonic computing in the nonlinear regime.

42 ENGINEERING↗

Active and tunable nanophotonic metamaterials

Abstract Metamaterials enable subwavelength tailoring of light–matter interactions, driving fundamental discoveries which fuel novel applications in areas ranging from compressed sensing to quantum engineering. Importantly, the metallic and dielectric resonators from which static metamaterials are comprised present an open architecture amenable to materials integration. Thus, incorporating responsive materials such as semiconductors, liquid crystals, phase-change materials, or quantum materials (e.g., superconductors, 2D materials, etc.) imbue metamaterials with dynamic properties, facilitating the development of active and tunable devices harboring enhanced or even entirely novel electromagnetic functionality. Ultimately, active control derives from the ability to craft the local electromagnetic fields; accomplished using a host of external stimuli to modify the electronic or optical properties of the responsive materials embedded into the active regions of the subwavelength resonators. We provide a broad overview of this frontier area of metamaterials research, introducing fundamental concepts and presenting control strategies that include electronic, optical, mechanical, thermal, and magnetic stimuli. The examples presented range from microwave to visible wavelengths, utilizing a wide range of materials to realize spatial light modulators, effective nonlinear media, on-demand optics, and polarimetric imaging as but a few examples. Often, active and tunable nanophotonic metamaterials yield an emergent electromagnetic response that is more than the sum of the parts, providing reconfigurable or real-time control of the amplitude, phase, wavevector, polarization, and frequency of light. The examples to date are impressive, setting the stage for future advances that are likely to impact holography, beyond 5G communications, imaging, and quantum sensing and transduction.

36 MATERIALS SCIENCE↗

Rapid Retooling for Emergency Response with Hybrid Manufacturing

The global manufacturing industry has served as a keystone in supporting the weight of emergency response operations during the coronavirus disease (COVID-19) pandemic. Development of core technologies necessary to prevent the spread of COVID-19, including Personal Protective Equipment, infection testing kits, and vaccine research supplies, requires intensive manufacturing operations to support a population at scale. The production of these items is traditionally dependent on the tool and die industry, requiring imports of steel castings from overseas suppliers. The United States (U.S.) manufacturing industry was left isolated and unprepared as international borders closed overnight and normal supply chains were cut. This technical note provides a forward-looking approach at the benefits of hybrid manufacturing processes to provide rapid reconfiguration capabilities in the U.S. tool and die industry. A demonstration in rapid production of new tooling is provided to illustrate these benefits. Finally, emerging hybrid technologies are discussed in pursuit of more flexible manufacturing operations.

42 ENGINEERING↗

Roadmap on thermodynamics and thermal metamaterials

Thermal metamaterials represent a transformative paradigm in modern physics, synergizing thermodynamic principles with metamaterial engineering to master heat flow at will. As next-generation technologies demand multi-scale thermal control, this field urgently requires systematic frameworks to unify its multidisciplinary advances. Curated through a global collaboration involving over 50 specialists across 25 subdisciplines, this review primarily summarizes two decades of advancements, ranging from theoretical breakthroughs to functional implementations. The review reveals groundbreaking innovations in heat manipulation through the exploration of both classical and non-classical transport regimes, topological thermal control mechanisms, and quantum-informed phonon engineering strategies. By bridging physical insights like non-Hermitian thermal dynamics and valleytronic phonon transport with cutting-edge applications, we demonstrate paradigm-shifting capabilities: environment-adaptive thermal cloaks, AI-optimized metamaterials, and nonlinear thermal circuits enabling heat-based computation. Experimental milestones include 3D thermal null media with reconfigurable invisibility and thermal designs breaking classical conductivity limits. Here, this collaborative effort establishes an indispensable roadmap for physicists, highlighting pathways to quantum thermal management, entropy-controlled energy systems, and topological devices. As thermal metamaterials transition from laboratory marvels to technological cornerstones, this work provides the foundational lexicon and design principles for the coming era of intelligent thermal matter.

heat conduction control↗

Simulations of High Current NuMI Magnetic Horn Striplines at FNAL

Both the NuMI (Neutrinos and the Main Injector) beam line, that has been providing intense neutrino beams for several Fermilab experiments (MINOS, MINERVA, NOVA), and the newly proposed LBNF (Long Baseline Neutrino Facility) beam line which plans to produce the highest power neutrino beam in the world for DUNE (the Deep Underground Neutrino Experiment) need pulsed magnetic horns to focus the mesons which decay to produce the neutrinos. The high-current horn and stripline design has been evolving as NuMI reconfigures for higher beam power and to meet the needs of the LBNF design. The CSU particle accelerator group has aided the neutrino physics experiments at Fermilab by producing EM simulations of magnetic horns and the required high-current striplines. In this paper, we present calculations, using the Poisson and ANSYS Maxwell 3D codes, of the EM interaction of the stripline plates of the NuMI horns at critical stress points. In addition, we give the electrical simulation results using the ANSYS Electric code. These results are being used to support the development of evolving horn stripline designs to handle increased electrical current and higher beam power for NuMI upgrades and for LBNF

43 PARTICLE ACCELERATORS↗

DESIGN UPDATE ON THE HSR INJECTION KICKER FOR THE EIC

The Electron-Ion Collider (EIC), the next-generation nuclear science facility, is under the design at the Brookhaven National Laboratory. The present RHIC rings will be reconfigured as the Hadron Storage Ring (HSR) for the EIC. Design of a stripline injection kicker for the HSR for beams with the rigidity of ~ 81 T-m poses some technical challenges due to the expected shorter bunch spacing, heating due to higher peak current and the larger number of bunches, and the required higher pulsed voltage. Recently, we updated its mechanical design to optimize the characteristic and beam coupling impedances. In addition, we incorporated the impedance tuning capability by introducing the kicker aperture adjustment mechanism. Finally, we incorporated high voltage FID feedthroughs (FC26) to this kicker. This paper reports the design and optimization updates of the HSR injection kicker including the impedance tuning capability, optimization of both the characteristic and the beam coupling impedances, and finally the incorporation of a high voltage feedthrough design.

HSR INJECTION KICKER FOR THE EIC∗↗

Measurement and modeling of beam transport in the FODO line of the Spallation Neutron Source Beam Test Facility

Ongoing studies at the Spallation Neutron Source (SNS) Beam Test Facility (BTF) seek to understand and model bunch dynamics in a high-power LINAC front-end. The BTF has recently been upgraded with a reconfiguration from a U-shaped line to a Straight line. We report the current state of model benchmarking, with a focus on RMS beam sizes within the FODO line. The beam measurement is obtained via three camera/screen pairs in the FODO line. This presentation discusses the methodology and results of this measurement.

Thompson, Trent↗

Slow Extraction Beam Commissioning for the Mu2e Experiment at Fermilab

Following the successful completion of the Muon g-2 experiment run at Fermilab, the Muon Campus facility has been reconfigured from delivering 3 GeV muon beams to the g-2 storage ring to providing slow-extracted 8 GeV proton beam spills for the Mu2e experiment. The first full-scale commissioning run with slow extraction was conducted during the 2025 run, followed by the second run in early 2026. We present the results and current status of this commissioning campaign.

Nagaslaev, V. [Fermilab]↗

Universal Injector at LERF – Baseline Design

A new electron injector complex has been proposed within the Low Energy Recirculating Facility (LERF) vault, which would serve both the 22 GeV CEBAF and the positron programs, while being compatible with the electron source required to produce positrons for Ce+BAF. The baseline design of a 3-pass recirculator features a main linac configured with three cryomodules, five isochronous arcs and three straight sections, allowing electron beam acceleration up to 650 MeV. The injector offers the flexibility to extract 1-pass and 2-pass energy electrons, as needed for positron production, with final reconfiguration to a 3-pass 650 MeV injector for 22 GeV CEBAF. This paper provides an overview of the baseline design of the Universal injector complex, including the 8 MeV injector and the recirculator. A comprehensive suite of beam dynamics studies to validate our design is being launched, starting with start-to-end tracking with Elegant followed by the orbit correction and error mitigation.

Bogacz, A. [Thomas Jefferson National Accelerator ↗

Progress towards halo modeling at the SNS Beam Test Facility

The SNS beam test facility is a model of the SNS front end (source through medium-energy transport). On-going work at the BTF focuses on accurate modeling of the beam distribution to enable the prediction of halo losses (>100 parts per million). This presentation will discuss the latest progress towards this goal, including recent results after a reconfiguration of the test beamline. Good agreement within the 90% beam core is shown for a 30 mA beam at 2.5 MeV.

Ruisard, Kiersten↗

Learning the ground state of a non-stoquastic quantum Hamiltonian in a rugged neural network landscape

Strongly interacting quantum systems described by non-stoquastic Hamiltonians exhibit rich low-temperature physics. Yet, their study poses a formidable challenge, even for state-of-the-art numerical techniques. Here, we investigate systematically the performance of a class of universal variational wave-functions based on artificial neural networks, by considering the frustrated spin- 1/2 1 / 2 J_1-J_2 J 1 − J 2 Heisenberg model on the square lattice. Focusing on neural network architectures without physics-informed input, we argue in favor of using an ansatz consisting of two decoupled real-valued networks, one for the amplitude and the other for the phase of the variational wavefunction. By introducing concrete mitigation strategies against inherent numerical instabilities in the stochastic reconfiguration algorithm we obtain a variational energy comparable to that reported recently with neural networks that incorporate knowledge about the physical system. Through a detailed analysis of the individual components of the algorithm, we conclude that the rugged nature of the energy landscape constitutes the major obstacle in finding a satisfactory approximation to the ground state wavefunction, and prevents learning the correct sign structure. In particular, we show that in the present setup the neural network expressivity and Monte Carlo sampling are not primary limiting factors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Development and validation of a radial inflow turbine model for simulation of the SNL S-CO 2 split-flow loop

A one-dimensional model for a radial inflow turbine has been developed for super-critical carbon dioxide (S-CO 2 ) Brayton cycle applications. The model accounts for the main phenomena present in the volute, nozzle, and impeller of a single-stage turbine. These phenomena include internal losses due to friction, blade loading, and angle of incidence and parasitic losses due to windage and blade-housing leakage. The model has been added as a component to the G-PASS plant systems code. The model was developed to support the analysis of S-CO 2 cycles in conjunction with small-scale loop experiments. Such loops operate at less than a MWt thermal input. Their size permits components to be reconfigured in new arrangements relatively easily and economically. However, the small thermal input combined with the properties of carbon dioxide lead to turbomachines with impeller diameters of only one to two inches. At these sizes the dominant phenomena differ from those in larger more typical machines. There is almost no treatment in the literature of turbomachines at these sizes. The present work therefore is aimed at developing turbomachine models that support the task of S-CO 2 cycle analysis using small-scale tests. Model predictions were compared against data from an experiment performed for Sandia National Laboratories in the split-flow Brayton cycle loop currently located at Barber-Nichols Inc. The split-flow loop incorporates two turbo-alternator-compressor (TAC) units each incorporating a radial inflow turbine and a radial flow compressor on a common shaft. The predicted thermodynamic conditions at the outlet of the turbine on the main compressor shaft were compared with measured values at different shaft speeds. Two modifications to the original model were needed to better match the experiment data. First, a representation of the heat loss from the volute downstream of the sensed inlet temperature was added. Second, an empirical multiplicative factor was applied to the Euler head and another to the head loss to bring the predicted outlet pressure into better agreement with the experiment. These changes also brought the overall efficiency of the turbine into agreement with values cited by Barber Nichols for small turbines. More generally, the quality of measurement set data can in the future be improved by additional steps taken in the design and operation of the experimental apparatus. First, a thermocouple mounted at the nozzle inlet would provide a better indication of temperature at this key point. Second, heat losses from the turbine should be measured directly. Allowing the impeller to free wheel at inlet conditions and measuring the temperature drop between inlet and outlet would provide a more accurate measure of heat loss. Finally, the enthalpy change during operation is more accurately obtained by measuring the torque on the stator using strain gauges rather than by measuring pressure and temperature at inlet and outlet to infer thermodynamic states.

42 ENGINEERING↗

Predictive Science Panel: LLNL Meeting, 9-11 October 2012 (Unclassified Report)

The Predictive Science Panel (PSP) held its annual meeting at LLNL on 9-11 October 2012. The meeting included a half day of overview presentations, following by 1 ½ days of "deep dive" sessions: NBI Reconfiguration, Transport Algorithms, Ignition Prediction, and Safety and Surety. There was also a discussion of LANL's feedback on the PSP's March 20212 report. This document provides an unclassified summary of the Panel's observations. Significantly more detail is provided in the PSP's classified report.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Reactor Physics Methods and Preconceptual Core Design Analyses for Conversion of the Advanced Test Reactor to Low-Enriched Uranium Fuel Annual Report for Fiscal Year 2012

Under the current long-term DOE policy and planning scenario, both the ATR and the ATRC will be reconfigured at an appropriate time within the next several years to operate with low-enriched uranium (LEU) fuel. This will be accomplished under the auspices of the Reduced Enrichment Research and Test Reactor (RERTR) Program, administered by the DOE National Nuclear Security Administration (NNSA). At a minimum, the internal design and composition of the fuel element plates and support structure will change, to accommodate the need for low enrichment in a manner that maintains total core excess reactivity at a suitable level for anticipated operational needs throughout each cycle while respecting all control and shutdown margin requirements and power distribution limits.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Bio-Inspired Approaches to Moving-Target Defense Strategies (Final Report)

This report records the work and contributions of the NITRD-funded Bio-Inspired Approaches to Moving-Target Defense Strategies project performed by Pacific Northwest National Laboratory under the technical guidance of the National Security Agency’s R6 division. The project has incorporated a number of bio-inspired cyber defensive technologies within an elastic framework provided by the Digital Ants. This project has created the first scalable, real-world prototype of the Digital Ants Framework (DAF) and integrated five technologies into this flexible, decentralized framework: (1) Ant-Based Cyber Defense (ABCD), (2) Behavioral Indicators, (3) Bioinformatic Classification, (4) Moving-Target Reconfiguration, and (5) Ambient Collaboration. The DAF can be used operationally to decentralize many such data intensive applications that normally rely on collection of large amounts of data in a central repository. In this work, we have shown how these component applications may be decentralized and may perform analysis at the edge. Operationally, this will enable analytics to scale far beyond current limitations while not suffering from the bandwidth or computational limitations of centralized analysis. This effort has advanced the R6 Cyber Security research program to secure digital infrastructures by developing a dynamic means to adaptively defend complex cyber systems. We hope that this work will benefit both our client’s efforts in system behavior modeling and cyber security to the overall benefit of the nation.

Bioinformatic Classification↗

Boron-10 ABUNCL Prototype Initial Testing

The Department of Energy Office of Nuclear Safeguards and Security (NA-241) is supporting the project Coincidence Counting With Boron-Based Alternative Neutron Detection Technology at Pacific Northwest National Laboratory (PNNL) for the development of a 3 He proportional counter alternative neutron coincidence counter. The goal of this project is to design, build and demonstrate a system based upon 10 B-lined proportional tubes in a configuration typical for 3 He-based coincidence counter applications. This report provides results of initial testing of an Alternative Boron-Based Uranium Neutron Coincidence Collar (ABUNCL) design built by General Electric Reuter-Stokes. Several configurations of the ABUNCL models, which use 10 B-lined proportional counters in place of 3 He proportional counters for the neutron detection elements, were previously reported. The ABUNCL tested is of a different design than previously modeled. Initial experimental testing of the as-delivered passive ABUNCL was performed, and modeling will be conducted. Testing of the system reconfigured for active testing will be performed in the near future, followed by testing with nuclear fuel.

Kouzes, Richard T.↗