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At least 109 records · Page 6

Scalable dark matter searches using integrated photonics

Dark matter (DM) with masses of order an electronvolt or below can have a nonzero coupling to electromagnetism while being compatible with cosmological observations. In these models, the ambient DM behaves as a new classical source in Maxwell’s equations, which can excite potentially detectable electromagnetic (EM) fields in the laboratory. We propose a new integrated-photonics–based approach to search for dark matter candidates in the 0.1–few eV mass range. This approach offers a wide range of wavelength-scale devices like resonators and wave guides that are readily fabricated in large quantities, enabling a scalable and novel search. In particular, we demonstrate that refractive index-modulated resonators, such as etched/grooved microrings, or patterned slabs, support EM modes with efficient coupling to DM. When excited by DM, these modes are read out by coupling the resonators to a wave guide that terminates on a micron-scale–sized single photon detector, such as a single pixel of a low-noise charge-coupled device or a superconducting nanowire. We then estimate the sensitivity of this experimental concept in the context of axionlike particle and dark photon models of DM, demonstrating that nanophotonic confinement and scalability can extend dark matter sensitivity into previously unexplored parameter space.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Fermi-surface driven frustrations in charge ordered kagome metal LuNb 6 ⁢Sn 6

The charge density wave (CDW), a translational symmetry breaking electronic liquid, plays a pivotal role in correlated quantum materials, such as high-𝑇 𝑐 superconductors and topological semimetals. Recently, CDWs that possibly intertwine with superconductivity and magnetism are observed in various kagome metals. However, the nature of CDWs and the role of the Fermi-surface (FS) topology in these materials remain an unresolved challenge. In this paper, we reveal the formation of CDWs in the newly discovered kagome metal LuNb 6 ⁢Sn 6 . Here, we observe a ‘‘yield sign’’-like hollow triangular diffuse scattering pattern and nearly complete softening of a flat optical phonon band near 𝐐 𝐻 = (1/3,1/3,1/2). The scattering intensity of the diffuse scattering displays divergent behavior as decreasing temperature until 𝑇 CDW = 70 K, where a competing CDW at 𝑄 CDW = (1/3,1/3,1/3) emerges. Combined with scanning tunneling microscopy/spectroscopy and first-principles calculations, our observations support a Fermi-surface driven frustration that suppresses the leading CDW instability at 𝐐 𝐻 . This frustration is relieved by the emergence of a subleading CDW at 𝑄 CDW . These results provide insights into the interplay between the Fermi surface, strong electron-phonon coupling, and charge density wave formation in quantum materials.

Yang, F. Z. [Oak Ridge National Laboratory (ORNL),↗

Search for soft unclustered energy patterns produced in association with a W or Z boson in proton-proton collisions at $\sqrt{s}$ = 13 TeV

A search for a Higgs boson produced in association with a W or Z boson and decaying via a soft unclustered energy pattern (SUEP) is presented. The analysis is based on proton-proton collision data corresponding to an integrated luminosity of 138 fb −1 collected between 2016 and 2018 at the LHC. Final states with a leptonic W or Z boson decay associated with a high multiplicity of low-momentum charged particles are explored for the first time. The results show no significant excess over the standard model background expectation. Limits are set on the production cross section of a Higgs boson that decays to a SUEP, for a range of parameters of the SUEP model. Material is provided to facilitate further interpretation of the results.

CMS↗

Three-dimensional lattice modulations in the charge density wave system Lu 2 Ir 3 Si 5

Using total and resonant x-ray scattering coupled to large-scale computer modeling, we study the lattice modulations in the complex charge density wave (CDW) material Lu 2 ⁢Ir 3 ⁢Si 5 . Here, we find that it is a unique quantum system where periodic lattice modulations related to emergent CDW order occur in three orthogonal atomic planes of the crystal lattice, leading to the emergence of an unusual three-dimensional (3D) pattern of short and long Ir-Ir and Lu-Lu bonds. The 3D character of observed lattice modulations explains the largely isotropic character of the changes in the electronic properties occurring when the CDW order sets in, demonstrating the strong electron-lattice coupling in Lu 2 ⁢Ir 3 ⁢Si 5 . The result is supported by DFT calculations based on the experimental structure data. Altogether, our work provides strong evidence for the presence of a relationship between the dimensionality of emergent lattice distortions and that of concurrent changes in the electronic properties of CDW materials. The relationship may need to be accounted for when these materials are explored for practical applications.

36 MATERIALS SCIENCE↗

Revisiting Artifacts of Kohn–Sham Density Functionals for Biosimulation

We revisit the problem of unphysical charge density delocalization/fractionalization induced by the self-interaction error of common approximate Kohn–Sham (KS) density functional theory functionals on simulation of small to medium-sized proteins in a vacuum. Aside from producing unphysical electron densities and total energies, the vanishing of the HOMO–LUMO gap associated with the unphysical charge delocalization leads to an unphysical low-energy spectrum and catastrophic failure of most popular solvers for the KS self-consistent field (SCF) problem. We apply a robust quasi-Newton SCF solver to obtain solutions for some of these difficult cases. The anatomy of the charge delocalization is revealed by the natural deformation orbitals obtained from the density matrix difference between the Hartree–Fock and KS solutions; the charge delocalization not only can occur between charged fragments (such as in zwitterionic polypeptides) but also involves neutral fragments. The vanishing-gap phenomenon and troublesome SCF convergence are both attributed to the unphysical KS Fock operator eigenspectra of molecular fragments (e.g., amino acids or their side chains). Analysis of amino acid pairs suggests that the unphysical charge delocalization can be partially ameliorated by the use of some range-separated hybrid functionals but not by semilocal or standard hybrid functionals. Last, we demonstrate that solutions without the unphysical charge delocalization can be located even for semilocal KS functionals highly prone to such defects, but such solutions have non-Aufbau character and are unstable with respect to mixing of the non-overlapping “frontier” orbitals. Caution should be exercised when unexpectedly small (or vanishing) HOMO–LUMO gaps and atypical SCF convergence patterns (e.g., oscillatory) are observed in KS DFT simulations in any context (bio or otherwise).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Double Quantum Dots with Quenched Charging Energy in PbTe Nanowires

Here, we investigate double quantum dots defined by electrostatic gating in semiconductor PbTe nanowire devices. We perform transport measurements to obtain charge stability diagrams distinguished by negligible separation between paired triple points and by the spin degeneracy of all transport resonances at zero magnetic field. We show a 4-fold splitting of high-bias stability diagram triangles in an applied magnetic field to illustrate the lifting of this spin degeneracy. We also identify patterns of narrow transport resonances in these high-bias triangles and discuss their possible physical origins. Our results represent a step toward the realization of PbTe-based spin qubits.

PbTe nanowire↗

Photoelectron Spectroscopy and Computational Study on Microsolvated [B 10 H 10 ] 2– Clusters and Comparisons to Their [B 12 H 12 ] 2– Analogues

Microhydrated closo-Boranes have attracted great interests due to their superchaotropic activity related to well-known Hofmeister effect and important applications in biomedical and battery fields. In this work, we report a combined negative ion photoelectron spectroscopy and quantum chemical investigation on hydrated closo-decaborate clusters [B 10 H 10 ] 2- ·nH 2 O (n = 1 – 7) with a direct comparison to their analogues [B 12 H 12 ] 2- ·nH 2 O and free water clusters. A single H 2 O molecule is found sufficient to stabilize the intrinsically unstable [B 10 H 10 ] 2- dianion. The first two water molecules strongly interact with the solute forming B-H···H-O dihydrogen bonds while additional water molecules show substantially reduced binding energies. Unlike [B 12 H 12 ] 2- ·nH 2 O possessing highly structured water network with the attached H 2 O molecules arranged in a unified pattern by maximizing B-H···H-O dihydrogen bonding, distinct structural arrangements of the water clusters within [B 10 H 10 ] 2– ·nH 2 O are achieved with the water cluster networks from trimer to heptamer resembling free water clusters. Such a distinct difference arises from the variations in size, symmetry, and charge distributions between these two dianions. Finally, the present finding again confirms the structural diversity of hydrogen-bonding networks in microhydrated closo-boranes and enrich our understanding of aqueous borate chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Robust superconductivity and the suppression of charge-density wave in the quasi-skutterudites Ca 3 ( Ir 1 – x Rh x ) 4 Sn 13 single crystals at ambient pressure

Single crystals of the quasi-skutterudite compounds Ca 3 (Ir 1-x Rh x ) 4 Sn 13 (3–4–13) were synthesized by flux growth and characterized by x-ray diffraction, energy dispersive x-ray spectroscopy, magnetization, resistivity, and radio frequency magnetic susceptibility techniques. The coexistence and competition between the charge density wave (CDW) and superconductivity was studied by varying the Rh/Ir ratio. The superconducting transition temperature, T c , varies from 7 K in pure Ir (x = 0) to 8.3 K in pure Rh (x = 1). Temperature-dependent electrical resistivity reveals monotonic suppression of the CDW transition temperature, T CDW (x). The CDW starts in pure Ir, x = 0, at T CDW ≈ 40 K and extrapolates roughly linearly to zero at x c ≈ 0.53–0.58 under the superconducting dome. Magnetization and transport measurements show a significant influence of CDW on superconducting and normal states. Meissner expulsion is substantially reduced in the CDW region, indicating competition between the CDW and superconductivity. The low-temperature resistivity is higher in the CDW part of the phase diagram, consistent with the reduced density of states due to CDW gapping. Its temperature dependence just above T c shows signs of non-Fermi liquid behavior in a cone-like composition pattern. We conclude that the Ca 3 (Ir 1-x Rh x ) 4 Sn 13 alloy is a good candidate for a composition-driven quantum critical point at ambient pressure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Commissioning of an MPGD-based Drift Chamber for Heavy-ion Tracking in FRIB's Sweeper magnet system

A newly developed drift chamber equipped with an innovative hybrid Micro-Pattern Gaseous Detector based readout was commissioned at FRIB. The detector consists of a Multi-layer Thick Gas Electron Multiplier (M-THGEM) mounted over a high-granularity, position-sensitive readout board. Denoted as the Micro-Pattern Drift Chamber (MPDC), the new device is used to provide tracking capability as part of the detectors of the Sweeper magnet system for neutron-invariant-mass spectrometry at the Facility for Rare Isotope Beams (FRIB). The localization of impinging ions in a 30 × 30 cm 2 drift area is derived by processing the charge-avalanche distribution induced on the segmented readout board. The signals induced on the readout pads are processed by a compact, multi-channel Data Acquisition System (DAQ) based on the Scalable Readout System (SRS). To facilitate synchronization with other detector systems of the Sweeper magnet system, the SRS has been configured to accept an external trigger.

Gaseous detectors↗

Characterizing Ultrafast Intersystem Crossing Pathways in Molecular Pt Dimers Using Time-Resolved Wide-Angle X-ray Scattering

Vibronic coupling between transition metal charge transfer states is a potential mechanism for enhancing the intersystem crossing (ISC) rate. Vibronic coupling-driven ISC has been observed in Pt­(II) dimer complexes, where the trajectory across excited-state pathways is tuned by atomic displacements via Pt–Pt stretching vibrations. Time-resolved wide-angle X-ray scattering (TR-WAXS) was utilized to quantify the Pt–Pt contraction following metal–metal-to-ligand charge transfer (MMLCT) excitation in Pt dimers with different bridging ligands. Both complexes exhibit Pt–Pt bond formation with a decrease in Pt–Pt distance of ∼ 0.25 Å and coherent vibrational wavepackets (CVWPs) encoded in the Pt–Pt contraction of both dimers. However, the complexes exhibit different time-dependent evolution of their CVWPs. Analysis of interference patterns between different CVWPs is used to track the trajectory across the excited-state surfaces. Furthermore, this work demonstrates that the interference between CVWPs in ultrafast TR-WAXS encodes indirect information regarding electronic excited-states to reveal the Pt dimer bridge-dependent ISC mechanism.

Computational chemistry↗

Two-Frequency RF Fields Induced Multipactor in Coaxial Transmission Lines

Multipactor is a nonlinear discharge phenomenon that occurs in vacuum RF systems, potentially leading to signal distortion, power loss, and even permanent damage to high-power components. This study presents a detailed investigation of two-surface multipactor in coaxial transmission lines under two-frequency excitation, using one-dimensional (1D) Monte Carlo simulations validated by three-dimensional (3D) Particle-in-Cell (PIC) results and experimental data. Introducing a second carrier mode is shown to suppress multipactor by reshaping and shrinking the susceptibility region, with the extent and location of suppression strongly dependent on the device aspect ratio and the relative phase of the second mode. Distinct suppression patterns emerge across different frequency–gap distance (fd) regimes, and in certain cases, susceptibility expansion is also observed. The study identifies and distinguishes pure and mixed multipactor modes in coaxial geometry, where analytical mode boundaries are not readily defined. Unlike planar systems, pure-mode regions in coaxial structures overlap with mixed-mode domains, complicating classification. Image charge forces are found to have minimal effect on susceptibility thresholds but do influence electron growth rates. These findings provide new insights into waveform-driven control of multipactor in high-power RF systems.

43 PARTICLE ACCELERATORS↗

Proton-rich Production of Lanthanides: The vi Process

The astrophysical origin of the lanthanides is an open question in nuclear astrophysics. Besides the widely studied s, i, and r processes in moderately to strongly neutron-rich environments, an intriguing alternative site for lanthanide production could in fact be robustly proton-rich matter outflows from core-collapse supernovae under specific conditions—in particular, high-entropy winds with enhanced neutrino luminosity and fast dynamical timescales. In this environment, excess protons present after charged-particle reactions have ceased can continue to be converted to neutrons by (anti)neutrino interactions, producing a neutron-capture reaction flow up to A ∼ 200. This scenario, christened the νi process in a recent paper, has previously been discussed as a possibility. Here, we examine the prospects for the νi process through the lenses of stellar abundance patterns, bolometric light curves, and galactic chemical evolution models, with a particular focus on hypernovae as candidate sites. We identify specific lanthanide signatures for which the νi process can provide a credible supplement to the r/i processes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Nucleation mechanism of multiple-order parameter ferroelectric domain wall motion in hafnia

Ferroelectric hafnia exhibits promising robust polarization and silicon compatibility for ferroelectric devices. Unfortunately, it suffers from difficult polarization switching. Methods to enable easier polarization switching are needed, and the underlying reason for this switching difficulty is not understood. Here, we investigated the 180° domain walls of hafnia and their motion through nucleation. We found that the domains of multiple-order parameter hafnia possess complicated three-dimensional dipole patterns and lead to domain walls of different symmetry. The most common domain wall type is a complex domain wall involving reversal of both polarization and tetragonality order parameters. This domain wall symmetry ensures a good matching of the dipoles perpendicular to the domain wall, which leads to low domain wall energy. However, this ensures a sharp, high-energy, charged domain wall on the edges of nuclei that results in difficult nucleation. Thus, this domain wall is too stable to move, which explains the switching difficulty of hafnia. By contrast, another simple domain wall, involving only polarization reversal, has a poor matching of dipoles perpendicular to the domain wall. This leads to higher domain wall energy and ensures a diffusive and low-energy charged domain wall that enables easier nucleation. This simple domain wall is thus not too stable and easier to move. Our theory advances domain wall nucleation theory from the field of conventional single-order parameter to multiple-order parameters. We propose controlling the populations of different domain wall types in hafnia as a way to enable fast polarization switching and lower coercive fields.

36 MATERIALS SCIENCE↗

Fleet Utilization

A key goal of NextGen Profiles' fleet utilization study was to conduct a comprehensive, strategic, and standardized assessment of the operational behavior and utilization patterns across EV and EVSE production-ready fleets. These data-driven insights were intended to inform current fleet management strategies and support future infrastructure planning, ensuring the effective adoption and adaptation of the growing EV fleet market. The study applied a series of metrics defined in NextGen Profiles to evaluate diverse fleet operations across various use cases, emphasizing trends in charging, routing, and other critical behaviors. The fleet utilization dataset includes these three sets of metrics from 17 EV fleets, each consisting of a wide range of vehicle types and operational categories, as well as two EVSE fleets. Data were collected from a variety of sources and reformatted into a unified structure before metric computation, ensuring consistency and comparability across all fleets. To protect confidentiality, all fleet metadata are anonymized, and the publicly released metric datasets are aggregated to an hourly cadence.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Wavelength-dependent photodissociation of iodomethylbutane

Ultrashort XUV pulses of the Free-Electron-LASer in Hamburg (FLASH) were used to investigate laser-induced fragmentation patterns of the prototypical chiral molecule 1-iodo-2-methyl-butane (C 5 H 11 I) in a pump-probe scheme. Ion velocity-map images and mass spectra of optical-laser-induced fragmentation were obtained for subsequent FEL exposure with photon energies of 63 eV and 75 eV. These energies specifically address the iodine 4d edge of neutral and singly charged iodine, respectively. The presented ion spectra for two optical pump-laser wavelengths, i.e., 800 nm and 267 nm, reveal substantially different cationic fragment yields in dependence on the wavelength and intensity. For the case of 800-nm-initiated fragmentation, the molecule dissociates notably slower than for the 267 nm pump. The results underscore the importance of considering optical-laser wavelength and intensity in the dissociation dynamics of this prototypical chiral molecule that is a promising candidate for future studies of its asymmetric nature.

74 ATOMIC AND MOLECULAR PHYSICS↗

Two-frequency RF fields induced multipactor in coaxial transmission lines

This study presents a comprehensive investigation of two-surface multipactor discharge in coaxial transmission lines under two-frequency radio frequency (RF) excitation using one-dimensional Monte Carlo simulations validated against three-dimensional particle-in-cell simulations and experimental data. The results show that introducing a second carrier mode can suppress multipactor by reshaping and shrinking the susceptibility region, with the extent and location of suppression strongly dependent on the device's aspect ratio and the relative phase of the second carrier mode. Distinct suppression patterns are observed across different fd regimes, while in some cases, susceptibility expansion also occurs under two-frequency operation. A key outcome is the identification and delineation of pure and mixed multipactor modes in coaxial geometry, where analytical mode boundaries are not readily available. Unlike planar geometries, pure-mode regions in coaxial systems overlap with mixed-mode domains, complicating mode identification. Additionally, image charge forces are found to have negligible influence on susceptibility thresholds but strongly affect electron growth rates. These findings offer valuable insights into the use of waveform engineering for controlling multipactor in high-power RF systems.

43 PARTICLE ACCELERATORS↗

Tethered from the Head and from the Tail: The Structure of Hydroxyl-Functionalized Ionic Liquids

Ionic liquids with special functionalities are synthesized with the specific purpose of creating new patterns of interaction in the condensed phase. This Letter discusses the case of alcohol-functionalized ILs, the so-called HFILs, which are part of the larger cohort of task-specific ionic liquids. We find that this small chemical modification can cause massive changes in the liquid landscape when the cationic tails are longer. For prototypical ionic liquids, larger alkyl tails act as separators of charge networks, but in the case of HFILs these become physical charge network linkers. The OH functionality adds a large repertoire of interactions and correlations that were mostly unavailable to traditional ILs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling Electrodeposition in 3D Porous Architectures for Solid-State Li-Metal Batteries

Li-metal storage in three-dimensional (3D) electrodes is considered a potential dendrite-mitigation strategy. The large surface area and high porosity of these electrodes result in reduced local Li-plating current densities. The porous topology provides a scaffold for Li-deposition and stripping, maintaining both mechanical integrity and Li accessibility. The goal of this study is to understand how characteristics, such as geometry and material properties, affect the current distribution and deposition pattern. To this end, we developed a computational method to track material growth driven by electrodeposition within a complex geometry. This method ensures that the finite-element discretization remains conforming to the moving boundary while preserving an adequate mesh quality, and thus maintains solution accuracy. Using this new computational tool, we analyze the conditions under which porous anode architectures effectively expand the surface area of the charge-transfer interface, and self-regulate current density and dendrite growth.

3D electrode architectures↗