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At least 793 records · Page 44

Scrambling Transition in a Radiative Random Unitary Circuit

Here we study quantum information scrambling in a random unitary circuit that exchanges qubits with an environment at a rate p. As a result, initially localized quantum information not only spreads within the system, but also spills into the environment. Using the out-of-time-order correlator (OTOC) to characterize scrambling, we find a nonequilibrium phase transition in the directed percolation universality class at a critical swap rate p c : for p < p c the ensemble-averaged OTOC exhibits ballistic growth with a tunable light cone velocity, while for p > p c the OTOC fails to percolate within the system and vanishes uniformly within a finite timescale, indicating that all local operators are rapidly swapped into the environment. To elucidate its information-theoretic consequences, we demonstrate that the transition in operator spreading coincides with a transition in an observer’s ability to decode the system’s initial quantum information from the swapped-out, or “radiated,” qubits. We present a simple decoding scheme which recovers the system’s initial information with perfect fidelity in the nonpercolating phase, and with continuously decreasing fidelity with decreasing swap rate in the percolating phase. Depending on the initial state of the swapped-in qubits, we further observe a corresponding entanglement transition in the coherent information from the system into the radiated qubits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Magnetic properties of the quasi-one-dimensional S = 1 spin chain antiferromagnet BaNi Te 2 O 7

We report a quasi-one-dimensional S=1 spin chain compound BaNiTe 2 O 7 . This magnetic system has been investigated by magnetic susceptibility, specific heat, and neutron powder diffraction. These results indicate that BaNiTe 2 O 7 develops a short-range magnetic correlation around T ~ 22K. With further cooling, an antiferromagnetic phase transition is observed at T N ~ 5.4K. Neutron powder diffraction revealed antiferromagnetic noncollinear order with a commensurate propagation vector k = (1/2,1,0). The refined magnetic moment size of Ni 2+ at 1.5 K is 1.84 μB , and its noncollinear spin texture is confirmed by first-principles calculations. In conclusion, inelastic neutron-scattering results and density functional theory calculations confirmed the quasi-one-dimensional nature of the spin systems.

1-dimensional spin chains↗

Tetraether archaeal lipids promote long‐term survival in extreme conditions

Abstract The sole unifying feature of the incredibly diverse Archaea is their isoprenoid‐based ether‐linked lipid membranes. Unique lipid membrane composition, including an abundance of membrane‐spanning tetraether lipids, impart resistance to extreme conditions. Many questions remain, however, regarding the synthesis and modification of tetraether lipids and how dynamic changes to archaeal lipid membrane composition support hyperthermophily. Tetraether membranes, termed glycerol dibiphytanyl glycerol tetraethers (GDGTs), are generated by tetraether synthase (Tes) by joining the tails of two bilayer lipids known as archaeol. GDGTs are often further specialized through the addition of cyclopentane rings by GDGT ring synthase (Grs). A positive correlation between relative GDGT abundance and entry into stationary phase growth has been observed, but the physiological impact of inhibiting GDGT synthesis has not previously been reported. Here, we demonstrate that the model hyperthermophile Thermococcus kodakarensis remains viable when Tes (TK2145) or Grs (TK0167) are deleted, permitting phenotypic and lipid analyses at different temperatures. The absence of cyclopentane rings in GDGTs does not impact growth in T. kodakarensis , but an overabundance of rings due to ectopic Grs expression is highly fitness negative at supra‐optimal temperatures. In contrast, deletion of Tes resulted in the loss of all GDGTs, cyclization of archaeol, and loss of viability upon transition to the stationary phase in this model archaea. These results demonstrate the critical roles of highly specialized, dynamic, isoprenoid‐based lipid membranes for archaeal survival at high temperatures.

Biochemistry & Molecular Biology↗

Operando XPS in reactive plasmas: The importance of the wall reactions

In this article, advancements in differential pumping and electron optics over the past few decades have enabled x-ray photoelectron spectroscopy (XPS) measurements at (near-)ambient pressures, bridging the pressure gap for characterizing realistic sample chemistries. Recently, we have demonstrated the capabilities of an ambient pressure XPS setup for in situ plasma environment measurements, allowing plasma-surface interactions to be studied in operando rather than using the traditional before-and-after analysis approach. This new “plasma-XPS” technique facilitates the identification of reaction intermediates critical for understanding plasma-assisted surface processes relevant to semiconductor nanomanufacturing, such as physical vapor deposition, etching, atomic layer deposition, and many other plasma applications. In this paper, we apply the plasma-XPS approach to monitor real-time surface chemical changes on a model Ag(111) single crystal exposed to oxidizing and reducing plasmas. We correlate surface-sensitive data with concurrent gas-phase XPS measurements and residual gas mass-spectrum analysis of species generated during plasma exposure, highlighting the significant role of plasma-induced chamber wall reactions. Ultimately, we demonstrate that plasma-XPS provides comprehensive insights into both surface and gas-phase chemistry, establishing it as a versatile and dynamic characterization tool with broad applications in microelectronics research. Finally, we outline potential enhancements and future metrology directions to advance plasma-XPS investigations further.

36 MATERIALS SCIENCE↗

Electronic anisotropy and rotational symmetry breaking at a Weyl semimetal/spin ice interface

In magnetic pyrochlore materials, the interplay of spin-orbit coupling, electronic correlations, and geometrical frustration gives rise to exotic quantum phases, including topological semimetals and spin ice. While these phases have been observed in isolation, the interface-driven phenomena emerging from their interaction have never been realized previously. Here, we report on the discovery of interfacial electronic anisotropy and rotational symmetry breaking at a heterostructure consisting of the Weyl semimetal Eu 2 Ir 2 O 7 and spin ice Dy 2 Ti 2 O 7 . Subjected to magnetic fields, we unveil a sixfold anisotropic transport response that is theoretically accounted by a Kondo-coupled heterointerface, where the spin ice’s field-tuned magnetism induces electron scattering in the Weyl semimetal’s topological Fermi-arc states. Furthermore, at elevated magnetic fields, we reveal a twofold anisotropic response indicative of the emergence of a symmetry-broken many-body state. This discovery showcases the potential of pyrochlore frustrated magnet/topological semimetal heterostructures in search of emergent interfacial phenomena.

Science & Technology - Other Topics↗

Bayesian Exploration and Surrogate Emulation of Nonlinear Beam-Response Geometry in the LBNF Beamline

Next-generation long-baseline neutrino experiments aim to achieve multi-MW proton beam power while reducing accelerator-induced systematic uncertainties. At Fermilab, the LBNF beamline is designed for 1.2 MW operation with PIP-II and is upgradeable to 2.4 MW. DUNE will probe the three-flavor neutrino paradigm and search for CP violation, requiring precise neutrino-flux normalization and improved control of accelerator-related uncertainties. Within the LBNF beamline, the System for On-Axis Neutrino Detection (SAND) will constrain flux uncertainties using precision near-detector measurements, while the Muon Monitor System (MuMS) will provide beamline diagnostics sensitive to the proton beam, target, and horn configuration. However, the pion phase space relevant for DUNE depends simultaneously on many correlated parameters, including beam centroid, beam width, horn current and alignment, target position, optics shifts, and radiation-induced changes. Consequently, MuMS observables exhibit nonlinear and coupled responses that are difficult to characterize using traditional one-parameter scans. To address this challenge, we are developing a Bayesian Exploration framework coupled to physics-informed surrogate emulators trained on Geant4 beamline simulations. Gaussian-process emulators provide both fast predictions and uncertainty estimates, enabling adaptive selection of new simulation points in beam-parameter space. As an initial demonstration, we construct surrogate emulators for MuMS response observables using a verified simulation campaign spanning proton-beam steering conditions. The emulators reproduce the simulated dependence of MuMS centroid and gradient observables while providing predictive uncertainties, and serve as the foundation for future multidimensional exploration including beam width, horn current, and additional beamline parameters. This work establishes a framework for uncertainty-aware beam monitoring, adaptive simulation campaigns, and rapid beam-response inference for future DUNE operations.

Ganguly, Sudeshna [Fermilab] (ORCID:00000003163482↗

Correlated Insulating Behavior in Infinite-Layer Nickelates

Unlike their cuprate counterparts, the undoped nickelates are weak insulators without long-range antiferromagnetic order. Identifying the origin of this insulating behavior, found on both sides of the superconducting dome, is potentially a crucial step in the development of a coherent understanding of nickelate superconductivity. In this work, we study the normal-state resistivity of infinite-layer nickelates using high magnetic fields to suppress the superconductivity and examine the impact of disorder and doping on its overall temperature ( T ) dependence. In superconducting samples, the resistivity of Nd- and La-based nickelates continues to exhibit weakly insulating behavior with a magnitude and functional form similar to that found in underdoped electron-doped cuprates. We find a systematic evolution of the insulating behavior as a function of nominal hole doping across different rare-earth families, suggesting a pivotal role for strong electron interactions, and uncover a correlation between the suppression of the resistivity upturn and the robustness of the superconductivity. By contrast, we find very little correlation between the level of disorder and the magnitude and onset temperature of the resistivity upturn. Combining these experimental observations with previous Hall effect measurements on these two nickelate families, we consider various possible origins for this correlated insulator behavior and its evolution across their respective phase diagrams.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Characterizing Current THD’s Dependency on Solar Irradiance and Supraharmonics Profiling for a Grid-Tied Photovoltaic Power Plant

The rapidly increasing distributed energy resources (DERs) in power systems are now getting interconnected to set community grid structures, where power quality will be a major concern. The grid-to-grid (G2G) bidirectional power transfer among the distribution microgrid will not be considered commercially feasible unless the upstream harmonics are under the limits. The aggregation of such harmonics, measured as total harmonic distortion (THD), is feared to be beyond tolerable limits with the progression of rooftop grid-tied PV-like installations. Hence, this THD needs to be characterized with DER generation end variables. In this work, the photovoltaic (PV) DERs’ dependency on environment variables such as irradiance was profiled in the context of generating and injecting harmonics into the grid. A mathematical model of a grid-tied three-phase PV DER was developed as part of this correlation characterization, matching the fundamental unit structure of a 1.4 MW solar canopy located on the Florida International University (FIU) Miami campus. To determine the qualitative association with produced THD patterns, the model was evaluated with various irradiance settings. A real-time digital simulation (RTDS) platform was used to verify it. Following this confirmation, sets of data from power quality meters at the point of common coupling and FIU field sensors were utilized to validate further the correlation model. The results showed that the grid current’s THD exhibited a high correlation with the irradiance profile and its variation over time. The early morning and late afternoon periods of the day, associated with a low irradiance, constantly had higher harmonics generated from the PV DER. The midday THD was rather rational with partial shadings, hence a geolocation-dependent factor. These findings were verified by an RTDS and validated by real field data. In quantifying the THD injected by a single DER at a high-frequency (2–150 kHz) supraharmonics (SH) level, a 3% peak increment in magnitude was observed from the high-fixed to the low-fixed irradiance profile. The correlation characteristics depicted that the hybrid microgrid suffered from a daytime-dependent harmonic insertion from the grid-tied DER. This is a global problem unless specific measures are taken to mitigate the harmonics. The electrically notorious higher-frequency SH was found to increase proportionally. The G2G power transfer can be limited because of the higher THD in the early morning and late afternoon, which will also worsen because the numbers of grid-tied PV DERs (i.e., rooftop solar and industrial solar) are likely to increase rapidly soon. The community grid structure can thus have a controlled harmonics filtration setup purposefully designed to address the findings of this work, which also fall within the scope of our future research.

14 SOLAR ENERGY↗

Observations of gas-phase products from the nitrate-radical-initiated oxidation of four monoterpenes

Abstract. Chemical ionization mass spectrometry with the nitrate reagent ion (NO3- CIMS) was used to investigate the products of the nitrate radical (NO3) initiated oxidation of four monoterpenes in laboratory chamber experiments. α-Pinene, β-pinene, Δ-3-carene, and α-thujene were studied. The major gas-phase species produced in each system were distinctly different, showing the effect of monoterpene structure on the oxidation mechanism and further elucidating the contributions of these species to particle formation and growth. By comparing groupings of products based on the ratios of elements in the general formula CwHxNyOz, the relative importance of specific mechanistic pathways (fragmentation, termination, and radical rearrangement) can be assessed for each system. Additionally, the measured time series of the highly oxidized reaction products provide insights into the ratio of relative production and loss rates of the high-molecular-weight products of the Δ-3-carene system. The measured effective O:C ratios of reaction products were anticorrelated with new particle formation intensity and number concentration for each system; however, the monomer : dimer ratios of products had a small positive trend. Gas-phase yields of oxidation products measured by NO3- CIMS correlated with particle number concentrations for each monoterpene system, with the exception of α-thujene, which produced a considerable amount of low-volatility products but no particles. Species-resolved wall loss was measured with NO3- CIMS and found to be highly variable among oxidized reaction products in our stainless steel chamber.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Heat Transfer and Pressure Drop Characteristics of Water Flow Boiling in Internally Enhanced Tubes

Flow boiling is a critical process for many thermal conversion processes such as HVAC&R, water heating, power generation and desalination applications. The major goal of this paper is to enhance the in-tube heat transfer for flow boiling of water and further improve the efficiency of the boiler. This paper presents an experimental investigation of the heat transfer and pressure drop characteristics for water under forced convection and boiling conditions inside both smooth and enhanced tubes. The results in the smooth copper tube are compared with several correlations and used as a baseline. The two-phase heat transfer and pressure drop performance of the water flow boiling in the internally enhanced tube is investigated, and the influence of internal surface pattern on the thermal characteristics is discussed. The relations of the heat transfer coefficient with mass flux, heat flux and vapor quality are analyzed according to the results.

Yang, Cheng-Min↗

OC6 Phase III Definition Document

The objective of Phase III of the Offshore Code Comparison Collaboration, Continued, with Correlation and unCertainty (OC6) project was to evaluate the accuracy of aerodynamic load predictions by offshore wind modeling tools for a floating offshore wind turbine as it experiences large surge-translational and pitch-rotational motion, as would occur during normal operation. A variety of models were examined in the project, with the goal of performing a three-way validation between engineering-level tools, higher-fidelity tools, and measurement data from two wind tunnel experimental campaigns. This document provides the necessary information to model and simulate the system studied in the OC6 Phase III project. This information is not only useful for project participants, but also future modelers who want to replicate this work for verification and validation purposes.

17 WIND ENERGY↗

Single-shot measurement of longitudinal phase space beam profile in an electron storage ring

A novel scheme to measure the longitudinal emittance and phase space profile in an electron storage ring by using correlations between time and the vertical coordinate, and between energy and the horizontal coordinate, is proposed. This longitudinal profile measurement scheme will help to demonstrate recent results of advanced studies for manipulating the longitudinal beam profile and for investigating beam instability in an electron storage ring.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Strong correlations and orbital texture in single-layer 1T-TaSe2

© 2020, The Author(s), under exclusive licence to Springer Nature Limited. Strong electron correlation can induce Mott insulating behaviour and produce intriguing states of matter such as unconventional superconductivity and quantum spin liquids. Recent advances in van der Waals material synthesis enable the exploration of Mott systems in the two-dimensional limit. Here we report characterization of the local electronic properties of single- and few-layer 1T-TaSe2 via spatial- and momentum-resolved spectroscopy involving scanning tunnelling microscopy and angle-resolved photoemission. Our results indicate that electron correlation induces a robust Mott insulator state in single-layer 1T-TaSe2 that is accompanied by unusual orbital texture. Interlayer coupling weakens the insulating phase, as shown by reduction of the energy gap and quenching of the correlation-driven orbital texture in bilayer and trilayer 1T-TaSe2. This establishes single-layer 1T-TaSe2 as a useful platform for investigating strong correlation physics in two dimensions.

36 MATERIALS SCIENCE↗

Automated Crystal Orientation Mapping in py4DSTEM using Sparse Correlation Matching

Crystalline materials used in technological applications are often complex assemblies composed of multiple phases and differently oriented grains. Robust identification of the phases and orientation relationships from these samples is crucial, but the information extracted from the diffraction condition probed by an electron beam is often incomplete. We have developed an automated crystal orientation mapping (ACOM) procedure which uses a converged electron probe to collect diffraction patterns from multiple locations across a complex sample. We provide an algorithm to determine the orientation of each diffraction pattern based on a fast sparse correlation method. We demonstrate the speed and accuracy of our method by indexing diffraction patterns generated using both kinematical and dynamical simulations. We have also measured orientation maps from an experimental dataset consisting of a complex polycrystalline twisted helical AuAgPd nanowire. From these maps we identify twin planes between adjacent grains, which may be responsible for the twisted helical structure. All of our methods are made freely available as open source code, including tutorials which can be easily adapted to perform ACOM measurements on diffraction pattern datasets.

36 MATERIALS SCIENCE↗

Nematic order driven by superconducting correlations

The interplay of nematicity and superconductivity has been observed in a wide variety of quantum materials. To explore this interplay, we consider a two-dimensional (2D) array of nematogens, local droplets with Z 3 nematicity, coupled to a network of Josephson junction wires. Using finite temperature classical Monte Carlo simulations, we elucidate the phase diagram of this model and show that the development of superconducting correlations and the directional delocalization of Cooper pairs can promote nematogen ordering, resulting in long-range nematic order. We obtain the transport properties of our model within an effective resistor network picture. We discuss these ideas in the context of the 2D electron gas at the (111) KTaO 3 interface and the doped topological insulators Nb x Bi 2 Se 3 and Cu x Bi 2 Se 3 . Overall, our work makes contact with Phil Anderson’s numerous contributions to broken symmetries driven by the saving of kinetic energy, including double exchange ferromagnetism and the interlayer tunneling theory of high Tc csuperconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Theoretical predictive screening of noble-metal-containing M 3 AuC 2 (M = Ti, V, and Cr) MAX phases

Using first-principles density functional theory (DFT), the ground state physical properties of the newly synthesized noble-metal-containing Ti 3 AuC 2 MAX phase have been investigated. The effect of transition-element Ti replacement (V and Cr) on physical properties, including structural, elastic, electronic, thermal, and optical are presented. The optimized lattice parameters of Ti 3 AuC 2 MAX phase are in good agreement with the experimental values and decrease when we replace Ti with V and then Cr. The magnetic properties of M 3 AuC 2 are predicted by using generalized gradient approximation (GGA) incorporating onsite electron correlation parameter (Hubbard U parameter) within DFT. Out of three studied MAX phases, V 3 AuC 2 and Cr 3 AuC 2 phases exhibit magnetism. The thermodynamical stability of M 3 AuC 2 (M = Ti, V, and Cr) phases is discussed by the formation enthalpy with respect to their most competing phases. The electronic structure reveals that these phases have metallic nature and are electrically anisotropic. The M-element replacement has an effect on the bonding properties of M 3 AuC 2 . The bonding between M-C is in the order of Cr 3 AuC 2 > V 3 AuC 2 > Ti 3 AuC 2 according to their peak positions and heights of density of states in the occupied site, which is also confirmed from the charge density distribution. The elastic properties indicate that M 3 AuC 2 phases are ductile, machinable, less stiff, and better resistant to thermal shock and are elastically anisotropic. To understand the properties of M 3 AuC 2 for the extreme environment, we employed a quasi-harmonic Debye model at the pressure and temperature range of 0–50 GPa and 0–1600 K, respectively. Additionally, we evaluated thermal conductivity and melting temperature to further understand the potential of these MAX phases in coating applications at elevated temperature. In relation to optical properties, these MAX phases have a reasonable absorption coefficient in the visible as well as in the ultra-violet regions. The reflectivity of M 3 AuC 2 phases is polarization dependent and of 45 % against the visible region, which reveals its potential as coating material to minimize solar heating.

312 MAX phases↗

High resolution ferromagnetic and antiferromagnetic correlations in La 0.7 Ca 0.3 MnO 3

La 0.7 Ca 0.3 MnO 3 (LCMO30) is a perovskite manganite with a phase transition (T C = 238 K) between a paramagnetic insulator and a ferromagnetic metal. We use single-crystal, inelastic neutron scattering to refine previous work on the low energy (ℏω < 10 meV) magnetic excitations. At 300 K the spectrum consists of a diffusive ferromagnetic component at the pseudo-cubic Brillouin zone center coexisting with a quasielastic excitation located at the pseudo-cubic Brillouin zone edge. Both components are anti-correlated with ferromagnetic long-range order, showing weakened intensity at 215 K in the ferromagnetic phase. Polarized neutron scattering shows both features to be purely magnetic in origin. Furthermore, this indicates the simultaneous presence of ferromagnetic and antiferromagnetic correlations (located, respectively, at the zone center and zone edge) in a three-dimensional perovskite, while this coexistence had been previously observed only in a bilayer compound.

36 MATERIALS SCIENCE↗

High-Resolution X-ray Spectromicroscopy Reveals Process-Structure Correlations in sub-5-μm Diameter Carbon Nanotube-Polymer Composite Dry-Spun Yarns

A persistent lack of detailed and quantitative structural analysis of these hierarchical carbon nanotube (CNT) ensembles precludes establishing processing-structure-property relationships that are essential to enhance macroscale performance (e.g., in mechanical, electrical, thermal applications). Here, in this work, we use scanning transmission X-ray microscopy (STXM) to analyze the hierarchical, twisted morphology of dry-spun CNT yarns and their composites, quantifying key structural characteristics such as density, porosity, alignment, and polymer loading. As the yarn twist density increases (15,000 to 150,000 turns per meter), the yarn diameter decreased (4.4–1.4 μm) and density increased (0.55–1.26 g·cm –3 ), as intuitively expected. Yarn density, ρ, ubiquitously scaled with diameter d according to ρ ~ d –2 for all parameters studied here. Spectromicroscopy probes with 30 nm resolution and elemental specificity were employed to analyze the radial and longitudinal distribution of the oxygen-containing polymer content (~30% weight fraction), demonstrating nearly perfect filling of the voids between CNTs with a vapor-phase polymer coating and cross-linking process. These quantitative correlations highlight the intimate connections between processing conditions and yarn structure with important implications for translating the nanoscale properties of CNTs to the macroscale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗