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At least 541 records · Page 30

NIF-TAS Miniature Calibration Station

“On Aug. 8, 2021, an experiment at Lawrence Livermore National Laboratory’s (LLNL’s) National Ignition Facility (NIF) made a significant step toward ignition, achieving a yield of more than 1.3 megajoules (MJ). This advancement puts researchers at the threshold of fusion ignition, an important goal of the NIF, and opens access to a new experimental regime.” NIF experiments are conducted by symmetrically focusing 192 laser beams from NIF (three football fields in length) into the Target Chamber (10-meter diameter sphere) onto a target 2mm in size. The reaction produces a hot spot the diameter of a human hair, generating more than 10 quadrillion watts of fusion power for 100 trillionths of a second. These high pressures and temperatures created by the NIF have only been seen on the surface of the sun. To achieve fusion ignition, the target must be compressed to high pressures and temperatures, which requires symmetric compression. This symmetry requires precise alignment of the laser beams to the target. To achieve this precise symmetry a Target Alignment System (TAS) was developed to aid in aligning the beams to the target. The accomplishment on Aug 8 th could not have been accomplished without the TAS. TAS has proven to be a critical contributor to the success of NIF experiments. Each TAS is composed of several Charge Couple Device (CCD) sensors and various support electronics. Unfortunately, these CCDs are no longer available in industry as they have become outdated and obsolete. There is a limited amount of spare CCDs in the facility. As the NIF continues to increase its energy output of its fusion ignition shot experiments (heigh yield shots), more neutrons are being emitted from the Target Chamber. These neutrons are very damaging to the TAS electronics and its sensors, thus degrading and reducing its life expectancy dramatically. The increase of neutrons exceeds the damage threshold of the CCDs. This would increase the demand for more frequent TAS refurbishments and calibrations. The increase in resources to perform these refurbishments and calibrations would not be sustainable. In efforts to prolong the life of each TAS system it was determined that the TAS should be removed for every High Yield Shot and then reinstalled. The high precision fully calibrated TAS can easily be knocked out of alignment during these installs and reinstall exchanges and being transported in and out of the NIF. The Miniature Calibration Station System was developed to verify that the critical calibration parameters have been preserved during every TAS exchange. The Miniature Calibration Station System (Mini-Cal) would need to be a scaled down (in size and scope), portable version of the offline TAS calibration station to verify the critical TAS parameters are still within tolerances.

42 ENGINEERING↗

Bogoliubov Fermi surfaces in spin-$\frac{1}{2}$ systems: Model Hamiltonians and experimental consequences

Bogoliubov Fermi surfaces (BFSs) are topologically protected regions of zero energy excitations in a superconductor whose dimension equals that of the underlying normal state Fermi surface. Examples of Hamiltonians exhibiting this “ultranodal” phase are known to preserve charge-conjugation ($\textit{C}$) and parity ($\textit{P}$) but break time-reversal ($\textit{T}$). In this work, we provide examples of model Hamiltonians that do not necessarily preserve this symmetry pattern but have well-defined sign-changing Pfaffians yielding BFSs. While their topological character has not been recognized previously, some of the models we present have been extensively studied in prior literature. Here, we further examine thermodynamic and electronic properties arising from the ultranodal state. In particular, we study the effect of a weak Zeeman field close to the topological transition and propose distinguishing features of BFSs using residual specific heat and tunneling conductance. Our calculation of the superfluid density in a toy multiband model indicates a window of interband pairing strength where BFSs are stable with a positive superfluid density. We also present additional signatures of BFSs in spin-polarized spectral weight and total magnetization measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A review of NEST models for liquid xenon and an exhaustive comparison with other approaches

This paper discusses the microphysical simulation of interactions in liquid xenon, the active detector medium in many leading rare-event searches for new physics, and describes experimental observables useful for understanding detector performance. The scintillation and ionization yield distributions for signal and background are presented using the Noble Element Simulation Technique (NEST), a toolkit based on experimental data and simple empirical formulas, which mimic previous microphysics modeling but are guided by data. The NEST models for light and charge production as a function of the particle type, energy, and electric field are reviewed, along with models for energy resolution and final pulse areas. NEST is compared with other models or sets of models and validated against real data, with several specific examples drawn from XENON, ZEPLIN, LUX, LZ, PandaX, and table-top experiments used for calibrations.

WIMPs↗

Design Rules for Open-Shell Molecular Wires: Insights from Correlated Many-Body Transport

Open-shell π-conjugated systems have emerged as promising molecular wires that can sustain unusually high low-bias conductance over tens of nanometers. However, predictive design rules remain limited because near-degeneracy and spin polarization give rise to correlated electronic states that are not reliably captured by standard density functional theory and Landauer transport descriptions. Here, we establish physically transparent design rules for long-range, weakly length-dependent charge transport based on the interplay between bond-length alternation and electron–electron interactions. Using a fully correlated transport framework that combines density matrix renormalization group calculations with nonequilibrium Green’s function embedding, we show that weak dimerization maintains spatially extended edge states, while moderate on-site interaction stabilizes open-shell character without excessively separating transport-relevant resonances. This balance yields zero-bias transmission that is largely insensitive to molecular length, providing a route to connect chemically tunable structure to correlated transport beyond mean-field descriptions.

Charge transport↗

Characterization of Performance Degradation Mechanisms in Low-Cost High Throughput DI-O3 Layer for Passivated Contact Silicon Solar Cells

Characterization and mitigating performance limiting defects in Silicon (Si) PV is one of key areas to be addressed to improve PV hardware costs and energy yield in order to lower the levelized cost of energy (LCOE) of installed PV cost to $0.02/kWh. As Si PV cells efficiencies have surpassed 22% and approaching 23%, the recombination at the metal contacts have become the focus point to be addressed. Passivated contact technologies—having a heterojunction with a band-gap larger than silicon between the metal and silicon—have emerged as a great potential for future highand ultrahigh-efficiency solar cells, as it concurrently reduces recombination and increases carrier selectivity, by incorporating thin films within the contact structure. Passivated contact Si solar cell technologies use a wide variety of tunnel layers—playing a crucial role to passivate metal contacts and tunnel charge carriers—including stoichiometric silicon oxide (SiO 2 ) grown by thermal oxidation and Low-Pressure Chemical Vapor Deposition (LPCVD) technique and silicon oxide (SiO x ) by hot nitric acid. However, thorough investigations on understanding the failure and performance degradation mechanisms associated with tunnel layers are still limited to date. Unlocking those degradation characteristics in crucial tunnel layers could improve the reliability and energy yield of passivated contact Si solar cells. Besides, the technique of growing aforementioned tunneling layers are low throughput, and requires high temperature processes and/or a vacuum environment. In this project, we investigated the performance degradation mechanisms of a low-cost high-throughput ozonated oxide (DI-O 3 ) tunnel layer for the passivated contact Si solar cells.

14 SOLAR ENERGY↗

Chlorophylls as primary electron acceptors in reaction centers

Photosynthetic Reaction Centers (RCs) can be considered blueprints for highly efficient energy transfer. Embedded with an array of cofactors, including (bacterio)chlorophyll ((B)Chl) and (B)pheophytin ((B)Pheo) molecules, RCs function with a high quantum yield that spans a wide spectral range. Understanding the principles that underlie their function can influence the design of the next generation of artificial photosynthetic devices. We are particularly interested in the factors that influence the early stages of light-driven charge separation in RCs. With the recent publication of several highly anticipated RC structures and advanced computational methods available, it is possible to probe both the geometric and electronic structures of an array of RCs. In this chapter, we review the electronic and geometric structures of the (B)Chl and (B)Pheo primary electron acceptors from fiveRCs, comprising both Type I and Type II RCs and representing both heterodimeric and homodimeric systems. We showcase the dimeric A0•- state of Type I RCs, whereby the unpaired electron is delocalized, to various extents, over two (B)Chl molecules (B)Chl2 and (B)Chl3. This delocalization is controlled by several factors, including the structure of the (B)Chls, interactions with the surrounding protein matrix, and the orientation and distances of the cofactors themselves. In contrast, the primary acceptors of Type II RCs are entirely monomeric, with electron density residing solely on the (B)Pheo. We compare the natural design of the primary acceptors of the Type I and Type II RCs from both an evolutionary and application based perspective.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Synthesis of UO 2 nanoparticles via coulometric titration: influence of electrolytes and ligands on synthesized particle properties

Here, this study investigates the controlled synthesis of uranium oxide nanoparticles (UO 2 NPs) via coulometric titration under ambient conditions, focusing on the impact of electrolyte anions, salt concentrations, and strongly complexing ligands on particle formation and properties. Using dilute solutions of mineral acids (HNO 3 , HCl, and HClO 4 ), we demonstrate that the choice of electrolyte anion affects particle size, polydispersity, and surface charge. Particle characterization using dynamic light scattering and transmission electron microscopy shows that particles synthesized in perchlorate are largest and show a high degree of polydispersity. In comparison, particles synthesized in chloride are smaller and more uniform in size. Synthesis in nitrate yields a wide variety of particle sizes, with the major fraction (>65 %) having a smaller size than that obtained in the other two electrolytes. The presence of more strongly coordinating ligands such as sulfate and acetate modulate hydrolysis and condensation reactions, with sulfate suppressing nanoparticle formation across a wide concentration range ([SO 4 2- ] > 5 mM) and acetate enabling stable colloidal suspensions at [HOAc] ≤ 0.1 M. Synthesis in concentrated electrolytes (2 M NaNO 3 , NaCl, or NaClO 4 ) accelerates reaction kinetics but introduces challenges, as particles showed increased polydispersity and aggregation, and were more prone to oxidation. Electrolyte effects on actinide oxide nanoparticle formation are discussed and a short comparison to established nanoparticle syntheses is drawn. This work underscores the importance of tailoring synthesis parameters to achieve desired nanoparticle properties, providing valuable insights for optimizing UO 2 NP production for various applications.

Actinide hydrolysis↗

Directional ballistic transport in the two-dimensional metal PdCoO2

Abstract In an idealized infinite crystal, the material properties are constrained by the symmetries of the unit cell. The point-group symmetry is broken by the sample shape of any finite crystal, but this is commonly unobservable in macroscopic metals. To sense the shape-induced symmetry lowering in such metals, long-lived bulk states originating from an anisotropic Fermi surface are needed. Here we show how a strongly facetted Fermi surface and the long quasiparticle mean free path present in microstructures of PdCoO 2 yield an in-plane resistivity anisotropy that is forbidden by symmetry on an infinite hexagonal lattice. We fabricate bar-shaped transport devices narrower than the mean free path from single crystals using focused ion beam milling, such that the ballistic charge carriers at low temperatures frequently collide with both of the side walls that define the channel. Two symmetry-forbidden transport signatures appear: the in-plane resistivity anisotropy exceeds a factor of 2, and a transverse voltage appears in zero magnetic field. Using ballistic Monte Carlo simulations and a numerical solution of the Boltzmann equation, we identify the orientation of the narrow channel as the source of symmetry breaking.

36 MATERIALS SCIENCE↗

Cations impact radical reaction dynamics in concentrated multicomponent aqueous solutions

Ultraviolet (UV) photolysis of nitrite ions (NO 2 – ) in aqueous solutions produces a suite of radicals, viz., NO · , O – , · OH, and · NO 2 . The O – and NO · radicals are initially formed from the dissociation of photoexcited NO 2 – . The O – radical undergoes reversible proton transfer with water to generate · OH. Both · OH and O – oxidize the NO 2 – to · NO 2 radicals. The reactions of · OH occur at solution diffusion limits, which are influenced by the nature of the dissolved cations and anions. Here, we systematically varied the alkali metal cation, spanning the range from strongly to weakly hydrating ions, and measured the production of NO · , · OH, and · NO 2 radicals during UV photolysis of alkaline nitrite solutions using electron paramagnetic resonance spectroscopy with nitromethane spin trapping. Comparing the data for the different alkali cations revealed that the nature of the cation had a significant effect on production of all three radical species. Radical production was inhibited in solutions with high charge density cations, e.g., lithium, and promoted in solutions containing low charge density cations, e.g., cesium. Through complementary investigations with multinuclear single pulse direct excitation nuclear magnetic resonance (NMR) spectroscopy and pulsed field gradient NMR diffusometry, cation-controlled solution structures and extent of NO 2 – solvation were determined to alter the initial yields of · NO and · OH radicals as well as alter the reactivity of NO 2 – toward · OH, impacting the production of · NO 2 . The implications of these results for the retrieval and processing of low-water, highly alkaline solutions that comprise legacy radioactive waste are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Compressing Hamiltonians with ab initio downfolding for simulating strongly-correlated materials on quantum computers

The accurate first-principles description of strongly correlated materials is an important and challenging problem in condensed matter physics. Ab initio downfolding has emerged as a way of deriving compressed many-body Hamiltonians that maintain the essential physics of strongly correlated materials. The solution of these material-specific models is still exponentially difficult to generate on classical computers, but quantum algorithms allow for a significant speed-up in obtaining the ground states of these compressed Hamiltonians. Here, we demonstrate that using quantum algorithms to obtain the properties of downfolded Hamiltonians can indeed yield high-fidelity solutions. By combining ab initio downfolding and variational quantum eigensolvers, we correctly predict the antiferromagnetic state of one-dimensional cuprate Ca 2 Cu O 3 , the excitonic ground state of monolayer W Te 2 , and the charge-ordered state of correlated metal Sr VO 3 . Numerical simulations using a classical tensor network implementation of variational quantum eigensolvers allow us to simulate large models with up to 54 qubits and encompassing up to four bands in the correlated subspace, which is indicative of the complexity that our framework can address. Through these methods we demonstrate the potential of classical preoptimization and downfolding techniques for enabling efficient materials simulation using quantum algorithms.

Alvertis, Antonios M. [NASA, Ames; LBNL, Berkeley]↗

Jet modification via 𝜋 0 -hadron correlations in Au + Au collisions at $\sqrt{s_{NN}}$ = 200 GeV

High-momentum two-particle correlations are a useful tool for studying jet-quenching effects in the quark-gluon plasma. Angular correlations between neutral-pion triggers and charged hadrons with transverse momenta in the range 4–12 GeV/𝑐 and 0.5–7 GeV/𝑐, respectively, have been measured by the PHENIX experiment in 2014 for Au + Au collisions at $\sqrt{s_{NN}}$ = 200 GeV. Suppression is observed in the yield of high-momentum jet fragments opposite the trigger particle, which indicates jet suppression stemming from in-medium partonic energy loss, while enhancement is observed for low-momentum particles. The ratio and differences between the yield in Au + Au collisions and 𝑝 + 𝑝 collisions, 𝐼 𝐴⁢𝐴 and Δ 𝐴⁢𝐴 , as a function of the trigger-hadron azimuthal separation, Δ⁢𝜙, are measured for the first time at the BNL Relativistic Heavy Ion Collider. Finally, these results better quantify how the yield of low-𝑝 𝑇 associated hadrons is enhanced at wide angle, which is crucial for studying energy loss as well as medium-response effects.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Resonance-Enhanced Multiphoton Ionization in the X-Ray Regime

In this work, we report on the nonlinear ionization of argon atoms in the short wavelength regime using ultraintense x rays from the European XFEL. After sequential multiphoton ionization, high charge states are obtained. For photon energies that are insufficient to directly ionize a 1s electron, a different mechanism is required to obtain ionization to Ar 17+ . We propose this occurs through a two-color process where the second harmonic of the FEL pulse resonantly excites the system via a 1s→2p transition followed by ionization by the fundamental FEL pulse, which is a type of x-ray resonance-enhanced multiphoton ionization (REMPI). This resonant phenomenon occurs not only for Ar 16+ , but also through lower charge states, where multiple ionization competes with decay lifetimes, making x-ray REMPI distinctive from conventional REMPI. With the aid of state-of-the-art theoretical calculations, we explain the effects of x-ray REMPI on the relevant ion yields and spectral profile.

74 ATOMIC AND MOLECULAR PHYSICS↗

Lattice QCD Calculation of Electroweak Box Contributions to Superallowed Nuclear and Neutron Beta Decays

We present the first lattice QCD calculation of the universal axial γ W -box contribution □ γ W V A to both superallowed nuclear and neutron beta decays. This contribution emerges as a significant component within the theoretical uncertainties surrounding the extraction of | V u d | from superallowed decays. Our calculation is conducted using two domain wall fermion ensembles at the physical pion mass. To construct the nucleon four-point correlation functions, we employ the random sparsening field technique. Furthermore, we incorporate long-distance contributions to the hadronic function using the infinite-volume reconstruction method. Upon performing the continuum extrapolation, we arrive at □ γ W V A = 3.65 ( 7 ) lat ( 1 ) PT × 10 − 3 . Consequently, this yields a slightly higher value of | V u d | = 0.973 86 ( 11 ) exp ( 9 ) RC ( 27 ) NS , reducing the previous 2.1 σ tension with the CKM unitarity to 1.8 σ . Additionally, we calculate the vector γ W -box contribution to the axial charge g A , denoted as □ γ W V V , and explore its potential implications. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Multiplicity and rapidity dependence of $\textrm{K}^{*}(\mathrm {{\textbf {892}}})^{0}$ and $\mathrm {\phi ({\textbf {1020}})}$ production in p–Pb collisions at $\sqrt{s_{\textrm{NN}}} =$ 5.02 TeV

The transverse-momentum (p T ) spectra of K*(892) 0 and Φ(1020) measured with the ALICE detector up to p T = 16 GeV/c in the rapidity range -1.2 < y < 0.3, in p–Pb collisions at the center-of-mass energy per nucleon–nucleon collision $\sqrt{s_{\textrm{NN}}}$ = 5.02 TeV are presented as a function of charged particle multiplicity and rapidity. The measured p T distributions show a dependence on both multiplicity and rapidity at low p T whereas no significant dependence is observed at high p T . A rapidity dependence is observed in the p T -integrated yield (dN/dy), whereas the mean transverse momentum ($\langle$p T $\rangle$) shows a flat behavior as a function of rapidity. The rapidity asymmetry (Y asym ) at low p T (< 5 GeV/c) is more significant for higher multiplicity classes. At high p T , no significant rapidity asymmetry is observed in any of the multiplicity classes. Both K*(892) 0 and Φ(1020) show similar Y asym . The nuclear modification factor (Q CP ) as a function of p T shows a Cronin-like enhancement at intermediate p T , which is more prominent at higher rapidities (Pb-going direction) and in higher multiplicity classes. At high p T (> 5 GeV/c), the Q CP values are greater than unity and no significant rapidity dependence is observed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Adjoint-optimized nanoscale light extractor for nitrogen-vacancy centers in diamond

Abstract We designed a nanoscale light extractor (NLE) for the efficient outcoupling and beaming of broadband light emitted by shallow, negatively charged nitrogen-vacancy (NV) centers in bulk diamond. The NLE consists of a patterned silicon layer on diamond and requires no etching of the diamond surface. Our design process is based on adjoint optimization using broadband time-domain simulations and yields structures that are inherently robust to positioning and fabrication errors. Our NLE functions like a transmission antenna for the NV center, enhancing the optical power extracted from an NV center positioned 10 nm below the diamond surface by a factor of more than 35, and beaming the light into a ±30° cone in the far field. This approach to light extraction can be readily adapted to other solid-state color centers.

42 ENGINEERING↗

A Critical Review of Radiolysis Issues in Water-Cooled Fission and Fusion Reactors: Part I, Assessment of Radiolysis Models

A critical review is presented on modeling of the radiolysis of the coolant water in nuclear power reactors with emphasis on ITER. The review is presented in two parts: In Part I, we assess previous work in terms of compliance with important chemical principles and conclude that no model proposed to date is completely satisfactory, in this regard. Thus, some reactions that have been proposed in various radiolysis models are not elementary in nature and can be decomposed into two or more elementary reactions, some of which are already included in the models. These reactions must be removed in formulating a viable model. Furthermore, elementary reactions between species of like charge are also commonly included, but they can be discounted upon the basis of Coulombic repulsion under the prevailing conditions (T < 350 °C) and must also be removed. Likewise, it is concluded that the current state of knowledge with respect to radiolytic yields (i.e., G-values) is also unsatisfactory. More work is required to ensure that the yields used in radiolysis models are truly “primary” yields corresponding to a time scale of nanoseconds or less. This is necessary to ensure that the impact of the reactions that occur outside of the spurs (ionizing particle tracks in the medium) are not counted twice. In Part II, the authors review the use of the radiolysis models coupled with electrochemical models to predict the water chemistry, corrosion potential, crack growth rate in Type 304 SS, and accumulated damage in the coolant circuits of boiling water reactors, pressurized water reactors, and the test fusion reactor, ITER. Based on experience with fission reactors, the emphasis should be placed on the control of the electrochemical corrosion potential because it is the parameter that best describes the state of corrosion in coolant circuits.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Experimental Evaluation of a Microchannel Condenser for R600a Domestic Refrigerators

Domestic refrigerators are among the most common household appliances, accounting for approximately 4% of total household energy consumption, which is higher than that of clothes dryers, lighting, or cooking appliances. With nearly 13 million new domestic refrigerators sold annually, even marginal improvements in their energy performance can yield significant reductions in overall energy demand and cost. This study focuses on enhancing the performance of domestic refrigerators using R600a as the refrigerant. Most domestic refrigerators currently employ wire-and-tube condensers, which are bulky and require a larger refrigerant charge. Given that R600a is classified as an A3 flammable refrigerant under ASHRAE standards, minimizing the system charge while maintaining or improving performance is critical. To address this, a compact and light weight single-pass serpentine microchannel heat exchanger (made of aluminum) was adopted as a condenser, replacing the conventional wire-and-tube configuration. The modified system was experimentally tested according to AHAM test standards, and charge optimization was performed. The results demonstrated that the refrigerator equipped with the microchannel condenser achieved a 5.3% reduction in energy consumption compared to the baseline configuration with wire-and-tube condenser.

Murugan, Muneeshwaran [ORNL] (ORCID:00000003340352↗

Enhancing the efficiency benefit of thermal barrier coatings for homogeneous charge compression ignition engines through application of a low-k oxide

Prior experiments reported by the authors have proven the hypothesis that achieving a dynamic temperature swing on the combustion chamber surface will lead to improved thermal and combustion efficiencies of the homogeneous charge compression ignition engine. A thin layer of yttria-stabilized zirconia, roughly 150 μm, was plasma sprayed on the piston top. It led to markedly advanced ignition and heat release in the gasoline homogeneous charge compression ignition engine, accompanied with reduced unburnt hydrocarbon and carbon monoxide emissions, improved combustion efficiency, and a higher thermal efficiency. A related computational study highlighted the critical role of coating thermal conductivity in achieving a desired dynamic response; hence, the second phase of experimental investigations focused on introducing structured porosity in the yttria-stabilized zirconia coating, as a means of reducing effective conductivity. Indeed, additional incremental improvements were observed, as well as limitations related to adverse effects of the surface roughness and the fuel interactions with the surface roughness and open pores. Erosion can also be a problem in a direct injection engine. Therefore, the third round of investigations focused on a material with a natively low conductivity (low-k), sprayed on the top of an Al piston in a relatively dense form, and in a way that yields a smooth surface. The objective was to capitalize on the low conductivity, while avoiding the pitfalls accompanying high-porosity formulations. The heat-storage capacity was limited by keeping the thickness relatively low. The results verify the paramount importance of thermal conductivity in the context of high “temperature swing” behavior and indicate a potential to improve the homogeneous charge compression ignition engine’s combustion efficiency roughly 1.5%, with the overall indicated efficiency improvement on the order of 5%, on a relative basis. In addition, the low-k oxide thermal barrier applied to the piston extended significantly the low-load homogeneous charge compression ignition operability limit.

42 ENGINEERING↗