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At least 703 records · Page 39

Energy Shifts and Broadening of Excitonic Resonances in Electrostatically Doped Semiconductors

Tuning the density of resident electrons or holes in semiconductors through electrostatic doping provides crucial insight into the composition of the many excitonic complexes that are routinely observed as absorption or photoluminescence resonances in optical studies. Moreover, we can change the way these resonances shift and broaden in energy by controlling the quantum numbers (e.g., spin and valley) of the resident carriers with applied magnetic fields and doping levels, as well as by selecting the quantum numbers of the photoexcited or recombining electron-hole (𝑒−ℎ) pair through optical polarization. Here, we discuss the roles of distinguishability and optimality of excitonic complexes, showing them to be key ingredients that determine the energy shifts and broadening of optical resonances in charge-tunable semiconductors. A distinguishable 𝑒−ℎ pair means that the electron and hole undergoing photoexcitation or recombination have quantum numbers that are not shared by any of the resident carriers. An optimal excitonic complex refers to a complex whose particles come with all available quantum numbers of the resident carriers. Based on the carrier density, magnetic field, and light polarization, all optical resonances may be classified as either distinct or indistinct depending on the distinguishability of the 𝑒−ℎ pair, and the underlying excitonic complex can be classified as either optimal or suboptimal. The universality of these classifications, inherited from the fundamental Pauli exclusion principle, allows us to understand how optical resonances shift in energy and whether they should broaden as doping is increased. This understanding is supported by conclusive evidence that the broadening and decay of optical resonances cannot be simply attributed to enhanced screening when resident carriers are added to a semiconductor. Finally, applying the classification scheme in either monolayer or moiré heterobilayer semiconductor systems, we relate the energy shift and amplitude of the neutral-exciton resonance to the compressibility of the resident carrier gas.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Imaging phonon dynamics with ultrafast electron microscopy: Kinematical and dynamical simulations

Ultrafast x-ray and electron scattering techniques have proven to be useful for probing the transient elastic lattice deformations associated with photoexcited coherent acoustic phonons. Indeed, femtosecond electron imaging using an ultrafast electron microscope (UEM) has been used to directly image the influence of nanoscale structural and morphological discontinuities on the emergence, propagation, dispersion, and decay behaviors in a variety of materials. Here, we describe our progress toward the development of methods ultimately aimed at quantifying acoustic-phonon properties from real-space UEM images via conventional image simulation methods extended to the associated strain-wave lattice deformation symmetries and extents. Using a model system consisting of pristine single-crystal Ge and a single, symmetric Lamb-type guided-wave mode, we calculate the transient strain profiles excited in a wedge specimen and then apply both kinematical- and dynamical-scattering methods to simulate the resulting UEM bright-field images. While measurable contrast strengths arising from the phonon wavetrains are found for optimally oriented specimens using both approaches, incorporation of dynamical scattering effects via a multi-slice method returns better qualitative agreement with experimental observations. Contrast strengths arising solely from phonon-induced local lattice deformations are increased by nearly an order of magnitude when incorporating multiple electron scattering effects. We also explicitly demonstrate the effects of changes in global specimen orientation on the observed contrast strength, and we discuss the implications for increasing the sophistication of the model with respect to quantification of phonon properties from UEM images.

36 MATERIALS SCIENCE↗

Multifamily Air Leakage Evaluation: A Modular Case Study

The purpose of this case study is to compare the air leakage rates of modular and site-built multifamily dwelling units. The methods, materials, and equipment were observed to be very similar in the modular and site-constructed units in this case study. The installation quality of building envelope measures such as insulation and air barrier appeared to be better for modular construction, because they were installed in a controlled, factory setting. Through field observations, we identified cosmetic damage to the envelope of modular units following transport to the building site, but with no resulting significant air leakage pathways. However, we did see air leakage pathways resulting from field modifications to the envelope of modular units to accommodate structural and mechanical connections. We found that the extensive use of through-wall HVAC systems, combined with the transport, placement, and rework of modular units may compromise the high-quality envelope installation and airtightness observed in the factory without careful planning and/or design. Opportunities for improvement identified from the tested modular dwelling units include minimizing and optimally locating penetrations, pre-cutting and detailing penetrations at the factory where possible, properly sealing field modifications, and using split HVAC systems in place of through-wall packaged systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Proton radiography inversions with source extraction and comparison to mesh methods

In this article, proton radiography is a central diagnostic technique for measuring electromagnetic (EM) fields in high-energy-density, laser-produced plasmas. In this technique, protons traverse the plasma where they accumulate small EM deflections which lead to variations in the proton fluence pattern on a detector. Path-integrated EM fields can then be extracted from the fluence image through an inversion process. In this work, experiments of laser-driven foils were conducted on the OMEGA laser and magnetic field reconstructions were performed using both “fluence-based” techniques and high-fidelity “mesh-based” methods. We implement nonzero boundary conditions into the inversion and show their importance by comparing against mesh measurements. Good agreement between the methods is found only when nonzero boundary conditions are used. We also introduce an approach to determine the unperturbed proton source profile, which is a required input in fluence reconstruction algorithms. In this approach, a fluence inversion is embedded inside of a mesh region, which provides overconstrained magnetic boundary conditions. A source profile is then iteratively optimized to satisfy the boundary information. This method substantially enhances the accuracy in recovering EM fields. Lastly, we propose a scheme to quantify uncertainty in the final inversion that is introduced through errors in the source retrieval.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Quantum Logic Enhanced Sensing in Solid-State Spin Ensembles

We demonstrate quantum logic enhanced sensitivity for a macroscopic ensemble of solid-state, hybrid two-qubit sensors. We achieve over a factor of 30 improvement in the single-shot signal-to-noise ratio, translating to an ac magnetic field sensitivity enhancement exceeding an order of magnitude for time-averaged measurements. Using the electronic spins of nitrogen vacancy (NV) centers in diamond as sensors, we leverage the on-site nitrogen nuclear spins of the NV centers as memory qubits, in combination with homogeneous and stable bias and control fields, ensuring that all of the ~10 9 two-qubit sensors are sufficiently identical to permit global control of the NV ensemble spin states. We find quantum logic sensitivity enhancement for multiple measurement protocols with varying optimal sensing intervals, including XY8 and DROID-60 dynamical decoupling, as well as correlation spectroscopy, using an applied ac magnetic field signal. The results are independent of the nature of the target signal and broadly applicable to measurements using NV centers and other solid-state spin ensembles. Furthermore, this work provides a benchmark for macroscopic ensembles of quantum sensors that employ quantum logic or quantum error correction algorithms for enhanced sensitivity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Chapter 7 - CRISPR-Based Tools for Microbial Cell Factories

The development of microbial chassis for the production of a variety of biochemicals and biofuels is a growing area of research. How to efficiently manipulate genetic information to achieve optimal production of these compounds is a key area of focus in the field. In recent years, clustered regularly interspaced palindromic repeats (CRISPR) and its associated proteins (Cas) have become a popular strategy for gene editing and regulation in many organisms due to its versatility and efficacy. Here, we describe methods developed utilizing CRISPR-Cas systems for engineering microbial cell factories (e.g., bacteria and yeast) at the single gene to genome scale for mutagenesis and transcriptional regulation of target genes. Finally, we provide a perspective on the challenges and opportunities for the applications of advanced CRISPR-Cas-based tools for engineering microbial cell factories.

BIOMASS FUELS↗

DeSelenator: A Se-Removal Process for Environmental Decontamination of Wastewaters from Coal-Burning Power Plants

Selenium may become a toxic contaminant of freshwater systems when released into the environment through industrial wastewaters from mining, coal-burning power plants, or oil refining. Efficient and cost-effective Se-removal technologies are therefore necessary to reduce Se concentrations in these wastewaters to below the regulatory discharge limits. In this study, we have demonstrated an effective process that removes Se, mostly as selenate anions, from wastewaters generated by coal-burning power plants. This process, dubbed DeSelenator, leverages the high concentration of sulfate relative to selenate in the wastewater and the propensity of these oxyanions to cocrystallize with benzene-bis-iminoguanidinium (BBIG) cations into extremely insoluble salts (on par with BaSO 4 ). The SO 4 2− /SeO 4 2− cocrystallization with BBIG removes over 90% of S and Se from the wastewater. Following removal of the precipitate by filtration, the filtrate is passed over an anion-exchange resin that further reduces selenium concentration to 5 ppb, the EPA’s regulatory limit for freshwater systems. Finally, the effluent is passed over an activated carbon column, which removes 99.8% of the residual BBIG ligand remaining after crystallization, allowing for the safe discharge of the treated water into the environment. The Se-removal process was first optimized in the lab at the bench scale and then tested in the field at the Tennessee Valley Authority’s Bull Run coal-burning power plant. A technoeconomic assessment found the cost of water treatment with DeSelenator is on par with that of the active biological method, which is currently considered a state-of-the-art Se-removal technology.

anions↗

Vacuum laser acceleration of super-ponderomotive electrons using relativistic transparency injection

Abstract Intense lasers can accelerate electrons to very high energy over a short distance. Such compact accelerators have several potential applications including fast ignition, high energy physics, and radiography. Among the various schemes of laser-based electron acceleration, vacuum laser acceleration has the merits of super-high acceleration gradient and great simplicity. Yet its realization has been difficult because injecting free electrons into the fast-oscillating laser field is not trivial. Here we demonstrate free-electron injection and subsequent vacuum laser acceleration of electrons up to 20 MeV using the relativistic transparency effect. When a high-contrast intense laser drives a thin solid foil, electrons from the dense opaque plasma are first accelerated to near-light speed by the standing laser wave in front of the solid foil and subsequently injected into the transmitted laser field as the opaque plasma becomes relativistically transparent. It is possible to further optimize the electron injection/acceleration by manipulating the laser polarization, incident angle, and temporal pulse shaping. Our result also sheds light on the fundamental relativistic transparency process, crucial for producing secondary particle and light sources.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Ion beam etching dependence of spin-orbit torque memory devices with switching current densities reduced by Hf interlayers

We report on the fabrication of nanoscale, three-terminal in-plane spin–orbit torque switching devices with low switching current densities. Critical parameters in the fabrication process, including the ion beam etching angle and time, were optimized to avoid fabrication defects and improve device yield. Measurements of the magnetic field and current-induced switching behavior of the tunnel junctions demonstrate a sensitivity to the nanopillar aspect ratio, which dictates the nanopillars’ anisotropy and thermal stability. Additionally, we show that the current density required for switching can be reduced and the device thermal stability increased by inserting Hf interlayers into the heterostructure. Micromagnetic simulations are generally consistent with the experimentally observed switching behavior, suggesting an increase in the interfacial perpendicular anisotropy at the CoFeB/MgO interface and the reduction in the Dzyaloshinskii–Moriya interaction at the W/CoFeB interface by the Hf interlayers.

36 MATERIALS SCIENCE↗

Optimal generation and isolation of attosecond pulses in an overdriven ionized medium

We identify optimal conditions for the generation and isolation of attosecond pulses in an overdriven ionized medium. In a high-pressure and highly ionized gas, the spatiotemporal wavefront rotation of a driving laser can be optimized, leading to complete spatial separation of successive attosecond bursts in the far field. The resulting isolated attosecond pulses (IAPs) are much more divergent such that they are spatially separated from the driving laser in the far field. We show that the time delay of near-field harmonic emission along the radial distance determines the divergence of the attosecond burst in the far field. Here, the generated IAPs are phase matched upon propagation in the second half of the gas medium. Validity of the generation scheme is tested at different carrier–envelope phases for a few-cycle laser pulse and by synthesizing the fundamental and its second harmonic field for a long-duration pulse.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Tunable Permanent Magnet Quadrupole Operating at Cryogenic Temperatures for Accelerators

The project objective is to develop a compact and tunable quadrupole using Electron Energy Corporation (EEC)’s PM materials for cryogenic accelerator applications. To achieve this objective, EEC and SLAC National Accelerator Laboratory (SLAC) will collaborate to develop a cost-effective quadrupole and optimize the conventional manufacturing process. Based on previous experience, EEC designed an innovative field adjustment capability using tuning magnets which is able to achieve all the requirements for SLAC’s cold copper collider (C3 ) application. These novel ideas enable us to develop a compact and tunable quadrupole magnet superior to the current designs. Our approach is to leverage EEC's over 50 years of experience in magnet manufacturing and SLAC’s beamline test capabilities.

42 ENGINEERING↗

Schema Elements for Granta Annual Report: FY2022

Granta: Materials Intelligence, also known as Granta:MI or Granta, is a commercial database software by Ansys, Inc. that is utilized by the Nuclear Security Enterprise (NSE) to organize and store relevant materials data. For a complete discussion of the use of Granta:MI at NSE sites, see the FY21 annual report. Granta:MI is used by five NSE sites locally, and all NSE sites have access to an enterprise instance on the Enterprise Secure Network (ESN) as well as an unclassified development instance. It has been recognized by NNSA management that a shared repository for additive manufacturing (AM) data would not only ensure data and knowledge is not lost but would provide a pool of information relating AM inputs (build parameters, raw materials properties, post-processing information) to the as-built properties of AM parts. Such a pool of data would enable optimization of AM build design and help NNSA achieve the goals of shortening fielding times for new components.

36 MATERIALS SCIENCE↗

Low Cost High-Performance HRE-Free 3-in-1 Electric Drive Unit

The project team completed work to expand upon American Axle & Manufacturing’s (AAM) baseline technology and develop a high-speed, AC induction electric drive unit (EDU) with total direct-oil-cooling and integrated power electronics. The project accelerated advancements in EDU technology by allowing AAM to build upon the progress made in developing the underlying baseline technologies. The following seven improvements to AAM’s baseline technology were implemented in this research and development program: 1) Increased speed (30k RPM) AC induction motor, 2) Silver-sintering of discrete silicon carbide (SiC) metal-oxide-semiconductor field-effect transistors (MOSFET) to heat sinks, 3) Electrically insulated rotor bars, 4) Optimized lamination steel, 5) EDU-integrated 650VDC inverter package, 6) Over-molded stator with molded liners, and 7) 650VDC power-dense stator design. The successful development of the technology resulted in a meaningful cost reduction for EDU systems in the market. Coupled with falling battery system costs, lower EDU costs will likely accelerate the market acceptance and related production scaling of battery electric vehicles. The objective of this project was to research, develop, and test a Heavy Rare Earth (HRE)-free 3-In-1 electric drive unit (EDU) that has class leading power density and cost. The key technologies to be developed were anticipated to meet or exceed the Department of Energy (DOE) targets of a cost ≤ $\$$7/kilowatt (kW), power density ≥ 12 kW/liter, and operating voltage ≥ 600 VDC.

33 ADVANCED PROPULSION SYSTEMS↗

Measurement of the Cathode Recess

The 113 MHz SRF gun for the coherent electron cooling is designed with adjustable position of the cathode vs. the nose piece of the quarter wave gun as it is shown in Fig. 1. By changing the cathode position we modify the profile of the accelerating field. By retracting the cathode, we reduce the surface field but increase the focusing component as it shown in Fig. 2. The optimal position is defined by the beam dynamics and is found based on simulations.

43 PARTICLE ACCELERATORS↗

Automatic Calibration and Health Monitoring of Infrastructure Sensors

Smart transportation infrastructure relies on networks of heterogeneous sensors - cameras, radars, and lidars - continuously monitoring traffic conditions. However, executing the initial spatial calibration of multiple sensors and the subsequent health monitoring presents significant operational challenges. Environmental factors, mechanical vibrations, and gradual drift cause spatial misalignment, degrading fusion performance and tracking accuracy. Traditional calibration approaches require manual intervention with specialized targets or survey equipment, resulting in service interruptions and high maintenance costs. This work presents an automated framework for initial calibration and continuous health monitoring without human intervention or service disruption. Our approach addresses two critical problems: (1) detecting when sensors become miscalibrated during operation, and (2) automatically re-establishing spatial alignment using only operational traffic data. The health monitoring component analyzes measurement innovations - differences between sensor observations and predicted object states - to detect systematic biases indicative of calibration drift. By computing bias magnitude, directional consistency, and rejection rates, the system identifies miscalibrations as small as 0.5 meters. Unlike traditional methods requiring known calibration targets, our diagnostic operates continuously on live traffic observations, enabling early detection before fusion quality degrades. The automatic recalibration algorithm leverages overlapping sensor fields-of-view and temporal correlation of vehicle observations. Using graph-based optimization, the system automatically discovers which sensor pairs observe common regions, estimates pairwise spatial transformations using RANSAC-based robust estimation, and jointly optimizes all sensor poses through bundle adjustment. The framework handles practical deployment challenges, including different sensor sampling rates (1-10 Hz), varying installation positions, unknown orientations, and limited overlap regions (>10%). When approximate sensor positions are available from installation surveys (+/-1m accuracy), the algorithm additionally estimates sensor orientations, refining both position and rotation to sub-meter and sub-degree accuracy. We validate the framework on multi-hour traffic datasets from six heterogeneous sensors with sampling rates ranging from 1 Hz to 10 Hz. Results demonstrate successful calibration even with sparse overlap (<20%) and automatic detection of miscalibrations exceeding 0.8 meters. This work enables a "deploy-and-forget" sensor infrastructure that maintains calibration autonomously, reducing maintenance costs while improving tracking accuracy. The techniques generalize beyond transportation to any multi-sensor monitoring application requiring robust spatial alignment, including smart cities, industrial monitoring, and surveillance systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Gradient-based optimization of complex nanoparticle heterostructures enabled by deep learning on heterogeneous graphs

Applications of deep learning (DL) to design nanomaterials are hampered by a lack of suitable data representations and training data. Here, in this study, we report efforts to overcome these limitations and leverage DL to optimize the nonlinear optical properties of core–shell upconverting nanoparticles (UCNPs). UCNPs, which have applications in fields such as biosensing, super-resolution microscopy and three-dimensional printing, can emit visible and ultraviolet light from near-infrared excitations. We report a large-scale dataset of UCNP emission spectra based on accurate but expensive kinetic Monte Carlo simulations (N > 6,000) and use these data to train a heterogeneous graph neural network using a physically motivated representation of UCNP nanostructure. Applying gradient-based optimization on the trained graph neural network, we identify structures with 6.5× higher predicted emission under 800-nm illumination than any UCNP in our training set. Our work reveals design principles for UCNP heterostructures and presents a roadmap for DL-based inverse design of nanomaterials.

Sivonxay, Eric [Lawrence Berkeley National Laborat↗

Impact of solenoid induced residual magnetic fields on the prototype SSR1 CM performance

A prototype cryomodule containing eight Single Spoke Resonators type-1 (SSR1) operating at 325 MHz and four superconducting focusing lenses was successfully assembled, cold tested, and accelerated beam in the framework of the PIP-II project at Fermilab. The impact of induced residual magnetic fields from the solenoids on performance of cavities is presented in this contribution. In addition, design optimizations for the production cryomodules as a result of this impact are highlighted.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Improving Subsurface Stress Characterization for Carbon Dioxide Storage Projects by Incorporating Machine Learning Techniques

The overall objective of this project is to develop a framework for reliable characterization and prediction of the state of stress in the overburden and underburden (including the basement) in CO 2 storage reservoirs using machine learning and integrated geomechanics and geophysical methods. Specifically, we propose to develop workflow encompassing of technologies and/or methods to predict stress and pressure changes due to CO 2 injection in an active tertiary recovery site and their impacts on subtle fault activation, fractures and occurrence of microseismic events and compare responses to field observations. In this project, we anticipate using dataset from the Farnsworth field Unit (FWU) which is operated by Purdure Petroleum. A novel elastic-waveform VSP inversion technique will be used to estimate high-resolution spatial and temporal changes of elastic moduli in CO 2 storage reservoirs, which will be combined with velocity-stress relationship derived from laboratory tests to obtain subsurface pressure and stress. Clustered microseismic data will be jointly inverted for improved focal mechanisms. Least-squares reverse-time migration of microseismic waveform data will be performed to directly image fracture/fault zones. Additionally, a deep neural network machine learning technique with convolutional and recurrent layers will be used for learning the spectro-temporal structures in microseismic waveforms. The results of this geotechnical data analysis will be integrated to develop a high-resolution 3D mechanical earth model extending from the overburden sealing formations to the underburden including the basement. Mechanical properties will be derived through integration of mechanical logs, tests, available results from chemo-mechanical laboratory tests, and elastic inversion of seismic data using a combination of Bayesian and stochastic methods as well as machine learning technique. Failure features (faults/fractures) will be represented and/or modeled based on seismic and core data analysis. A transient hydrodynamic-geomechanical model will be developed through coupling with the calibrated FWU reservoir simulation model. The full physics coupled model will be used to train a reduced order proxy model using machine learning algorithm for estimating stress which will then be used with appropriate constitutive relationships and forward seismological models to simulate pressure changes and induced microseismicity. An advanced optimization framework will be developed to perform a history match to minimize error between field observations and simulated. The history matched proxy model will be verified against the full-physics equivalent. The field observations that will be used in the coupled model calibration process include pressure/stress inverted from VSP, moment magnitude from microseismic analysis, real time downhole pressure measurements, production and injection data. Parameter sensitivity and uncertainty analysis will be performed to characterize the impact of model parameter uncertainty on stress estimates. The proposed project will have significant impact on future field implementation of the proposed technology. Because the project field site is an ongoing CO 2 EOR development, the value of the new technology will be demonstrated in an operational context and evaluated as a viable risk mitigation strategy. Cost/benefit will be evaluated together with the various commercial incentives for CO 2 sequestration available to oil and gas operators. The extensive available dataset and ongoing data acquisition under the SWP Phase III work plan provides flexibility for investigation of multiple approaches and reduces technical risk.

58 GEOSCIENCES↗