### Inhibition of the phase conjugation of orbital angular momentum superpositions in cylindrical vector beams during stimulated Brillouin scattering

Phase conjugation with stimulated Brillouin scattering can be used to correct wavefront aberrations in high-power laser systems. Here, we consider such process with cylindrical vector lasers beams. By using a vectorial approach and a modal decomposition, we obtain a differential matrix equation that enables the calculation of the structure of Stokes vector eigenmodes and their Brillouin gain. The emphasis is put on the mode with the largest gain, which contributes the most to the Stokes beam. We show that the phase conjugation of orbital angular momentum in cylindrical vector beams is prevented from happening almost everywhere on the higher-order Poincar\'e sphere. This phenomenon is traced to the tendency of the Stokes beam to acquire a polarization structure similar to the incident pump beam, which constraints the possible combinations of topological charges of the two orbital angular momentum modes making up the Stokes cylindrical vector beams. However, near the poles of the higher-order Poincar\'e sphere, the Stokes mode with the largest gain acquires an additional helical phase factor that produces the conjugated topological charge for the stronger circularly polarized component without affecting the polarization structure. Experimental results are found to agree with our theoretical predictions.

### Analytical and FDTD design of hybrid Fabry-Perot plano-concave microcavity for hexagonal boron nitride

The emission of light of an efficient single-photon emitter (SPE) should have a high-count rate into a well-defined spatio-temporal mode along with an accessible numerical aperture (NA) to increase the light extraction efficiency that is required for effective coupling into optical waveguides. Based on a previously developed experimental approach to fabricate hybrid Fabry-Perot microcavities (Further information is available [F. Ortiz-Huerta et al, Opt.Express 26, 33245 (2018)]), we managed to find analytical and finite-difference time-domain (FDTD) values for the, experimentally achievable, geometrical parameters of a hybrid plano-concave microcavity that enhances the spontaneous emission (i.e. Purcell enhancement) of color centers in two-dimensional (2D) hexagonal boron nitride (hBN) while simultaneously limiting the NA of the emitter. Paraxial approximation and a transfer matrix model are used to find the spotsize of the fundamental Gaussian mode and the resonant modes of our microcavity, respectively. A Purcell enhancement of 6 is found for a SPE (i.e. in-plane dipole) hosted by a 2D hBN layer inside the hybrid plano-concave microcavity.

### [3] 2205.06319

We introduce a computational Maxwell-Bloch framework for investigating out of equilibrium optical emitters in open cavity-less systems. To do so, we compute the pulse-induced dynamics of each emitter from fundamental light-matter interactions and self-consistently calculate their radiative coupling, including phase inhomogeneity from propagation effects. This semiclassical framework is applied to open systems of quantum dots with different density and dipolar coupling. We observe that signatures of superradiant behavior, such as directionality and faster decay, are weak for systems with extensions comparable to $\lambda/2$. In contrast, subradiant features are robust and can produce long-term population trapping effects. This computational tool enables quantitative investigations of large optical ensembles in the time domain and could be used to design new systems with enhanced superradiant and subradiant properties.

### Nuclear-Electronic Orbital Approach to Quantization of Protons in Periodic Electronic Structure Calculations

The nuclear-electronic orbital (NEO) method is a well-established approach for treating nuclei quantum mechanically in molecular systems beyond the usual Born-Oppenheimer approximation. In this work, we present a strategy to implement the NEO method for periodic electronic structure calculations, particularly focused on multicomponent density functional theory (DFT). The NEO-DFT method is implemented in an all-electron electronic structure code, FHI-aims, using a combination of analytical and numerical integration techniques as well as a resolution of the identity scheme to enhance computational efficiency. After validating this implementation, proof-of-concept applications are presented to illustrate the effects of quantized protons on the physical properties of extended systems such as two-dimensional materials and liquid-semiconductor interfaces. Specifically, periodic NEO-DFT calculations are performed for a trans-polyacetylene chain, a hydrogen boride sheet, and a titanium oxide-water interface. The zero-point energy effects of the protons, as well as electron-proton correlation, are shown to noticeably impact the density of states and band structures for these systems. These developments provide a foundation for the application of multicomponent DFT to a wide range of other extended condensed matter systems.

### Fast optical transport of ultracold molecules over long distances

Optically trapped laser-cooled polar molecules hold promise for new science and technology in quantum information and quantum simulation. Large numerical aperture optical access and long trap lifetimes are needed for many studies, but these requirements are challenging to achieve in a magneto-optical trap (MOT) vacuum chamber that is connected to a cryogenic buffer gas beam source, as is the case for all molecule laser cooling experiments so far. Long distance transport of molecules greatly eases fulfilling these requirements as molecules are placed into a region separate from the MOT chamber. We realize a fast transport method for ultracold molecules based on an electronically focus-tunable lens combined with an optical lattice. The high transport speed is achieved by the 1D red-detuned optical lattice, which is generated by interference of a focus-tunable laser beam and a focus-fixed laser beam. Efficiency of 48(8)% is realized in the transport of ultracold calcium monofluoride (CaF) molecules over 46 cm distance in 50 ms, with a moderate heating from 32(2) {\mu}K to 53(4) {\mu}K. Positional stability of the molecular cloud allows for stable loading of an optical tweezer array with single molecules.

### A Machine Learning Approach to Classify Vortex Wakes of Energy Harvesting Oscillating Foils

A machine learning model is developed to establish wake patterns behind oscillating foils whose kinematics are within the energy harvesting regime. The role of wake structure is particularly important for array deployments of oscillating foils, since the unsteady wake highly influences performance of downstream foils. This work explores 46 oscillating foil kinematics, with the goal of parameterizing the wake based on the input kinematic variables and grouping vortex wakes through image analysis of vorticity fields. A combination of a convolutional neural network (CNN) with long short-term memory (LSTM) units is developed to classify the wakes into three groups. To fully verify the physical wake differences among foil kinematics, a convolutional autoencoder combined with k-means++ clustering is utilized and four different wake patterns are found. With the classification model, these patterns are associated with a range of foil kinematics. Future work can use these correlations to predict the performance of foils placed in the wake and build optimal foil arrangements for tidal energy harvesting.

### Quantum Preconditioners and Hydrological Linear Systems

Modeling hydrological fracture networks is a hallmark challenge in computational earth sciences. Accurately predicting critical features of fracture systems, e.g. percolation, can require solving large linear systems far beyond current or future high performance capabilities. Quantum computers can theoretically bypass the memory and speed constraints faced by classical approaches, however several technical issues must first be addressed. Chief amongst these difficulties is that such systems are often ill-conditioned, i.e. small changes in the system can produce large changes in the solution, which can slow down the performance of linear solving algorithms. We test several existing quantum techniques to improve the condition number, but find they are insufficient. We then introduce the inverse Laplacian preconditioner, which significantly reduces the condition number of the system and readily admits a quantum implementation. These results are a critical first step in developing a quantum solver for fracture systems, both advancing the state of hydrological modeling and providing a novel real-world application for quantum linear systems algorithms.

### Photonic Generation of Millimeter-Waves Disciplined by Molecular Rotational Spectroscopy

Optical generation of millimeter-waves (mm-wave) is made possible by an optical heterodyne of two diode lasers on a uni-traveling-carrier photodiode (UTC-PD). We utilized this technique to produce a mm-wave oscillator with desirable phase-noise characteristics, which were inherited from a pair of narrow-linewidth diode lasers. We present the long-term stabilization of our oscillator, achieved by referencing it to a rotational transition of gaseous nitrous oxide (N2O). Direct frequency modulation spectroscopy at 301.442 GHz (J=11) generated an error signal that disciplined the frequency difference between the diode lasers and thus, locked the millimeter-wave radiation to the molecular rotational line. The mm-wave frequency was down-converted using an electro-optic (EO) comb, and recorded by a frequency counter referenced to a Rubidium (Rb) clock. This resulted in short-term fractional frequency stability of $1.5 \times 10^{-11}/\sqrt{\tau}$ and a long term-stability of $4\times 10^{-12}$ at 10,000 s averaging time.

### Conservative Projection Between Finite Element and Particle Bases

Particle-in-Cell (PIC) methods employ particle representations of unknown fields, but also employ continuum fields for other parts of the problem. Thus projection between particle and continuum bases is required. Moreover, we often need to enforce conservation constraints on this projection. We derive a mechanism for enforcement based on weak equality, and implement it in the PETSc libraries. Scalability is demonstrated to more than 1B particles.

### Mid- and Far-Infrared Supercontinuum Generation in Bulk Tellurium Spanning from 5.3 $μ$m to 32 $μ$m

Supercontinuum generation is performed in the bulk semiconductor tellurium (Te) with a high-power picosecond CO$_2$ laser at peak intensities up to 20 GW/cm$^2$. The spectrum spans from the second harmonic of the pump at 5.3 $\mu$m to 32 $\mu$m. Stimulated Raman scattering along with self-phase modulation and four wave mixing are found to be the main nonlinear optical processes leading to the spectral broadening. Numerical simulations using the experimental conditions indicate that the nonlinear refractive index of Te, $n_{2,\textrm{eff}}$(Te) is about (40 $\pm$ 10) $n_{2,\textrm{eff}}$(GaAs), making this a very promising material for nonlinear optical devices.

### Correlated driving-and-dissipation equation for non-Condon spectroscopy with the Herzberg-Teller vibronic coupling

Correlated driving-and-dissipation equation (CODDE) is an optimized complete second-order quantum dissipation approach, which is originally concerned with the reduced system dynamics only. However, one can actually extract the hybridized bath dynamics from CODDE with the aid of dissipaton-equation-of-motion theory, a statistical quasi-particle quantum dissipation formalism. Treated as an one{dissipaton theory, CODDE is successfully extended to deal with the Herzberg-Teller vibronic couplings in dipole-field interactions. Demonstrations will be carried out on the non-Condon spectroscopies of a model dimer system.

### Electron power absorption in capacitively coupled neon-oxygen plasmas: a comparison of experimental and computational results

Phase Resolved Optical Emission Spectroscopy (PROES) measurements combined with 1d3v Particle-in-Cell/Monte Carlo Collisions (PIC/MCC) simulations are used to study the electron power absorption and excitation/ionization dynamics in capacitively coupled plasmas (CCPs) in mixtures of neon and oxygen gases. The study is performed for a geometrically symmetric CCP reactor with a gap length of 2.5 cm at a driving frequency of 10~MHz and a peak-to-peak voltage of 350 V. The pressure of the gas mixture is varied between 15 Pa and 500 Pa, while the neon/oxygen concentration is tuned between 10% and 90%. For all discharge conditions, the spatio-temporal distribution of the electron-impact excitation rate from the Ne ground state into the Ne $\rm{2p^53p_0}$ state measured by PROES and obtained from PIC/MCC simulations show good qualitative agreement. Based on the emission/excitation patterns, multiple operation regimes are identified. Localized bright emission features at the bulk boundaries, caused by local maxima in the electronegativity are found at high pressures and high O$_2$ concentrations. The relative contributions of the ambipolar and the Ohmic electron power absorption are found to vary strongly with the discharge parameters: the Ohmic power absorption is enhanced by both the high collisionality at high pressures and the high electronegativity at low pressures. In the wide parameter regime covered in this study, the PROES measurements are found to accurately represent the ionization dynamics, i.e., the discharge operation mode. This work represents also a successful experimental validation of the discharge model developed for neon-oxygen CCPs.

### Cascaded Forward Stimulated Brillouin Scattering in a Chalcogenide Microsphere

We report the first observation of cascaded forward Brillouin scattering in a microresonator platform. We have demonstrated 25 orders of intramodal Stokes beams separated by a Brillouin shift of 34.5 MHz at a sub-milliwatt threshold at 1550 nm. An As$_2$S$_3$ microsphere of diameter 125 $\\mu m$ with quality factor $1\times 10^6$ was used for this demonstration. Theoretical modeling is used to support our experimental observations of Brillouin shift and threshold power. We expect our work will advance the field of forward stimulated Brillouin scattering in integrated photonics

### Flexible quasi-2D inversion of time-domain AEM data, using a wavelet-based complexity measure

Regularization methods improve the stability of ill-posed inverse problems by introducing some a priori characteristics for the solution such as smoothness or sharpness. In this contribution, we propose a multidimensional, scale-dependent wavelet-based L1-regularization term to cure the ill-posedness of the airborne (time-domain) electromagnetic induction inverse problem. The regularization term is flexible, as it can recover blocky, smooth and tunable in-between inversion models, based on a suitable wavelet basis function. For each orientation, a different wavelet basis function can be used, introducing an additional relative regularization parameter. We propose a calibration method to determine (an educated initial guess for) this relative regularization parameter, which reduces the need to optimize for this parameter, and, consequently, the overall computation time is under control. We apply our novel scheme to a time-domain airborne electromagnetic data set in Belgian saltwater intrusion context, but the scheme could equally apply to any other 2D or 3D geophysical inverse problem.

### PSI-Vlasov equation

A new equation for describing physical systems with radiation is obtained in this paper. Examples of such systems can be found in plasma physics, accelerator physics (synchrotron radiation) and astrophysics (gravitational waves). The new equation is written on the basis of the third Vlasov equation for the probability density distribution function of kinematic quantities: coordinates, velocities and accelerations. The constructed new Vlasov - equation makes it possible to describe naturally dissipation systems instead of phenomenological modifications of the second Vlasov equation, and to construct conservative difference schemes in numerical simulation.

### Experimental demonstration of phase-matching and Sagnac effect in a millimeter-scale wedged resonator gyroscope

The highly efficient coupling of light from conventional optical components to optical mode volumes lies in the heart of chip-based micro-devices, which is determined by the phase-matching between propagation constants of fiber taper and the whispering-gallery-mode (WGM) of the resonator. Optical gyroscopes, typically realized as fiber-optic gyroscopes and ring-laser gyroscopes, have been the mainstay in diverse applications such as positioning and inertial sensing. Here, the phase-matching is theoretically analyzed and experimentally verified. We observe Sagnac effect in a millimeter-scale wedged resonator gyroscope which has attracted considerable attention and been rapidly promoted in recent years. We demonstrate a bidirectional pump and probe scheme, which directly measures the frequency beat caused by the Sagnac effect. We establish the linear response between the detected beat frequency and the rotation velocity. The clockwise and counterclockwise rotation can also be distinguished according to the value of the frequency beat. The experimental results verify the feasibility of developing gyroscope in WGM resonator system and pave the way for future development.

### Experimental measurement of respiratory particles dispersed by wind instruments and analysis of the associated risk of infection transmission

Activities such as singing or playing a wind instrument release respiratory particles into the air that may contain pathogens and thus pose a risk for infection transmission. Here we report measurements of the size distribution, number, and volume concentration of exhaled particles from 31 healthy musicians playing 20 types of wind instruments using aerosol spectrometry and in-line holography in a strictly controlled cleanroom environment. We find that playing wind instruments carries a lower risk of airborne disease transmission than speaking or singing. We attribute this to the fact that the resonators of wind instruments act as filters for particles >10 $\mu$m in diameter. We have also measured the size-dependent filtering properties of different types of filters that can be used as instrument masks. Based on these measurements, we calculated the risk of airborne transmission of SARS-CoV-2 in different near- and far-field scenarios with and without masking and/or distancing. We conclude that in all cases where there is a possibility that the musician is infectious, the only safe measure to prevent airborne transmission of the disease is the use of well-fitting and well-filtering masks for the instrument and the susceptible person.

### Topological Interface-State Lasing in a Polymer-Cholesteric Liquid Crystal Superlattice

The advance of topological photonics has heralded a revolution for manipulating light as well as for the development of novel photonic devices such as topological insulator lasers. Here, we demonstrate topological lasing of circular polarization in a polymer-cholesteric liquid crystal (P-CLC) superlattice, tunable in the visible wavelength regime. By use of the femtosecond-laser direct-writing and self-assembling techniques, we establish the P-CLC superlattice with a controlled mini-band structure and a topological interface defect, thereby achieving a low threshold for robust topological lasing at about 0.4 uJ. Thanks to the chiral liquid crystal, not only the emission wavelength is thermally tuned, but the circularly polarized lasing is readily achieved. Our results bring about the possibility to realize compact and integrated topological photonic devices at low cost, as well as to engineer an ideal platform for exploring topological physics that involves light-matter interaction in soft-matter environments.

### OpenDust: A fast GPU-accelerated code for calculation forces, acting on microparticles in a plasma flow

We present the first open-source, GPU-based code for complex plasmas. The code, OpenDust, aims to provide researchers both experimenters and theorists user-friendly and high-performance tool for self-consistent calculation forces, acting on microparticles, and microparticles' charges in a plasma flow. OpenDust performance originates from highly-optimized Cuda back-end and allows to perform self-consistent calculation of plasma flow around microparticles in seconds. This code outperforms all available codes for self-consistent complex plasma simulation. Moreover, OpenDust can also be used for simulation of larger systems of dust microparticles, that was unavailable before. OpenDust interface is written in Python, which provides ease-of-use and simple installation from Conda repository.

### Goldstone states as non-local hidden variables

We consider the theory of spinor fields in polar form where the spinorial true degrees of freedom are isolated from their Goldstone states, and we show that these carry information about the frames which is not related to gravitation so that their propagation is not restricted to be either causal or local: we use them to build a model of entangled spins where a singlet possesses a uniform rotation that can be made to collapse for both states simultaneously regardless their spatial distance. Models of entangled polarizations with similar properties are also sketched. An analogy with the double-slit experiment is also presented. General comments on features of Goldstone states are given.

### Numerical analysis of beam self-cleaning in multimode fiber amplifiers

Recent experimental results have reported the observation of beam self-cleaning or, more generally, nonlinear beam reshaping in active multimode fibers. In this work we present a numerical analysis of these processes, by considering the ideal case of a diode-pumped signal amplifier made of a graded-index multimode fiber with uniform Yb doping. Simulations confirm that beam cleaning of the signal may take place even in amplifying fibers, that is the absence of beam energy conservation. Moreover, we show how the local signal intensity maxima, which are periodically generated by the self-imaging process, may influence the population inversion of the doping atoms, and locally saturate the amplifier gain.

### An Earthquake Can Be Predicted

The paper represents the VLF/LF electromagnetic radiation as the earthquake's true precursor. It is shown that this parameter is capable of describing the fault formative process in the focal area. Besides, VLF/LF electromagnetic radiation frequency analysis gives the possibility simultaneously to determine all three characteristic parameters necessary for incoming earthquake prediction (magnitude, epicenter, and time of occurring). It is shown that the prediction of moderate and strong earthquakes is possible with great precision.

### [23] 2205.06596

This work studies a broadband graded metamaterial, which integrates the piezoelectric energy harvesting function targeting low-frequency structural vibrations, lying below 100 Hz. The device combines a graded metamaterial with beam-like resonators, piezoelectric patches and a self-powered piezoelectric interface circuit for energy harvesting. Based on the mechanical and electrical lumped parameters, an integrated model is proposed to investigate the power performance of the proposed design. Thorough numerical simulations were conducted to analyse the spatial frequency separation capacity and the slow-wave phenomenon of the graded metamaterial for broadband and high-capability piezoelectric energy harvesting. Experiments with realistic vibration sources show that the harvested power of the proposed design yields a five-fold increase with respect to conventional harvesting solutions based on single cantilever harvesters. Our results reveal the significant potential on exploitation of graded metamaterials for energy-efficient vibration-powered devices.

### Analytic Computer Generated Hologram Design

For a given asphere the grating equation is used to derive the design for a Computer Generated Hologram (CGH), sometimes referred to as a diffractive null corrector. The CGH converts a spherical wavefront to the shape appropriate for the given asphere as required for interferometric metrology. The derivation is effectively analytic but may require numerical implementation in certain cases depending on the complexity of the shape of the asphere and the accuracy required.

### Exact Factorization Adventures: A Promising Approach for Non-bound States

Modeling the dynamics of non-bound states in molecules requires an accurate description of how electronic motion affects nuclear motion and vice-versa. The exact factorization (XF) approach offers a unique perspective, in that it provides potentials that act on the nuclear subsystem or electronic subsystem, which contain the effects of the coupling to the other subsystem in an exact way. We briefly review the various applications of the XF idea in different realms, and how features of these potentials aid in the interpretation of two different laser-driven dissociation mechanisms. We present a detailed study of the different ways the coupling terms in recently-developed XF-based mixed quantum-classical approximations are evaluated, where either truly coupled trajectories, or auxiliary trajectories that mimic the coupling are used, and discuss their effect in both a surface-hopping framework as well as the rigorously-derived coupled-trajectory mixed quantum-classical approach.

### Set-up for observation thermal voltage noise and determination of absolute temperature and Boltzmann constant

We describe a set-up for measurement of the absolute zero by Johnson-Nyquist thermal noise which can be performed within a week in every high-school or university. Necessary electronic components and technical guidelines for the construction of this noise thermometer are given. The operating temperature used is in the tea cup range from ice to boiling water and in this sense the set-up can be given in the hands of every high school and university physics student. The measurement requires a standard multi-meter with thermocouple and voltage probe and gives excellent for education purposes percent accuracy. The explanation is oriented to university level but due to the simplicity of the explanation motivated high-school students can follow the explanation derivation of the used formulas for determination of the absolute zero and the Boltzmann constant. As a by-product our set-up gives a new method for the determination of the spectral density of the voltage $e_\mathrm{N}$ and current noise $i_\mathrm{N}$ of operational amplifiers.

### Quantum gravity effects in the infra-red: a theoretical derivation of the low energy fine structure constant and mass ratios of charged fermions

We have recently proposed a pre-quantum, pre-space-time theory as a matrix-valued Lagrangian dynamics on an octonionic space-time. This theory offers the prospect of unifying internal symmetries of the standard model with pre-gravitation. We explain why such a quantum gravitational dynamics is in principle essential even at energies much smaller than Planck scale. The dynamics can also predict the values of free parameters of the low energy standard model: these parameters arising in the Lagrangian are related to the algebra of the octonions which define the underlying non-commutative space-time on which the dynamical degrees of freedom evolve. These free parameters are related to the exceptional Jordan algebra $J_3(8)$ which describes the three fermion generations. We use the octonionic representation of fermions to compute the eigenvalues of the characteristic equation of this algebra, and compare the resulting eigenvalues with known mass ratios for quarks and leptons. We show that the ratios of the eigenvalues correctly reproduce the [square root of the] known mass ratios. In conjunction with the trace dynamics Lagrangian, these eigenvalues also yield a theoretical derivation of the low energy fine structure constant.

### Vorticity-induced flow-focusing leads to bubble entrainment in an inkjet printhead: synchrotron X-ray and volume-of-fluid visualizations

The oscillatory flows present in an inkjet printhead can lead to strong deformations of the air-liquid interface at the nozzle exit. Such deformations may lead to an inward directed air jet with bubble pinch-off and the subsequent entrainment of an air bubble, which is highly detrimental to the stability of inkjet printing. Understanding the mechanisms of bubble entrainment is therefore crucial in improving print stability. In the present work, we use ultrafast X-ray phase-contrast imaging and direct numerical simulations based on the Volume-of-Fluid method to study the mechanisms underlying the bubble entrainment in a piezo-acoustic printhead. We first demonstrate good agreement between experiments and numerics. We then show the different classes of bubble pinch-off obtained in experiments, and that those were also captured numerically. The numerical results are then used to show that the baroclinic torque, which is generated at the gas-liquid interface due to the misalignment of density and pressure gradients, results in a flow-focusing effect that drives the formation of the air jet from which a bubble can pinch-off.

### Selective evaporation at the nozzle exit in piezoacoustic inkjet printing

In practical applications of inkjet printing the nozzles in a printhead have intermittent idle periods, during which ink can evaporate from the nozzle exit. Inks are usually multicomponent where each component has its own characteristic evaporation rate resulting in concentration gradients within the ink. These gradients may directly and indirectly (via Marangoni flows) alter the jetting process and thereby its reproducibility and the resulting print quality. In the present work, we study selective evaporation from an inkjet nozzle for water-glycerol mixtures. Through experiments, analytical modeling, and numerical simulations, we investigate changes in mixture composition with drying time. By monitoring the acoustics within the printhead, and subsequently modeling the system as a mass-spring-damper system, the composition of the mixture can be obtained as a function of drying time. The results from the analytical model are validated using numerical simulations of the full fluid mechanical equations governing the printhead flows and pressure fields. Furthermore, the numerical simulations reveal that the time independent concentration gradient we observe in the experiments is due to the steady state of water flux through the printhead. Finally, we measure the number of drop formation events required in this system before the mixture concentration within the nozzle attains the initial (pre-drying) value, and find a stronger than exponential trend in the number of drop formations required. These results shed light on the complex physiochemical hydrodynamics associated with the drying of ink at a printhead nozzle, and help in increasing the stability and reproducibility of inkjet printing.

### Why are stripes in La$_{1.88}$Sr$_{0.12}$CuO$_4$ rotated by $3^\circ$?

The rotated stripes are a consequence of the orthorhombic crystal lattice and the isotropy of Coulomb repulsion between pairs of doped holes, residing at oxygen lattice sites. With stripe slanting, the doped-hole pairs come closer to equidistance than without. The slant ratio depends on the orthorhombicity $o$ as $s = \sqrt{o/2}$.

### A unified field theory from a complexified quaternion-octonion Dirac equation

It is set manifest an underlying algebraic structure of Dirac equation and solutions, in terms of C$\ell_2$ Clifford algebra projectors and ladder operators. From it, a scheme is proposed for constructing unified field theories by enlarging the pointed algebra. A toy unified matter field model is formulated, modifying Dirac equation with complex quaternions and octonions. The result describes a set of fermion fields with reminiscent properties of one standard model particle generation, exhibiting U(1) electromagnetism, SU(2) flavor and SU(3) color like symmetries, remarkably SU(2) induces frame fields, though further explorations are needed.

### Symmetry-breaking-induced multifunctionalities of two-dimensional chromium-based materials for nanoelectronics and clean energy conversion

Structural symmetry-breaking that could lead to exotic physical properties plays a crucial role in determining the functions of a system, especially for two-dimensional (2D) materials. Here we demonstrate that multiple functionalities of 2D chromium-based materials could be achieved by breaking inversion symmetry via replacing Y atoms in one face of pristine CrY (Y=P, As, Sb) monolayers with N atoms, i.e., forming Janus Cr2NY monolayers. The functionalities include spin-gapless, very low work function, inducing carrier doping and catalytic activity, which are predominately ascribed to the large intrinsic dipole of Janus Cr2NY monolayers, making them having great potentials in various applications. Specifically, Cr2NSb is found to be a spin-gapless semiconductor, Cr2NP and Cr2NHPF could simultaneously induce n- and p-type carrier doping for two graphene sheets with different concentrations (forming intrinsic p-n vertical junction), and Cr2NY exhibits excellent electrocatalytic hydrogen evolution activity, even superior to benchmark Pt. The results confirm that breaking symmetry is a promising approach for the rational design of multifunctional 2D materials.

### Self-Aligned Single-Electrode Actuation of Tangential and Wineglass Modes using PMN-PT

Considering evolution of rotation sensing and timing applications realized in Micro-electro-mechanical systems (MEMS), flexural mode resonant shapes are outperformed by bulk acoustic wave (BAW) counterparts by achieving higher frequencies with both electrostatic and piezoelectric transduction. Within the 1-30 MHz range, which hosts BAW gyroscopes and timing references, piezoelectric and electrostatic MEMS have similar transduction efficiency. Although, when designed intelligently, electrostatic transduction allows self-alignment between electrodes and the resonator for various BAW modes, misalignment is inevitable regarding piezoelectric transduction of BAW modes that require electrode patterning. In this paper transverse piezoelectric actuation of [011] oriented single crystal lead magnesium niobate-lead titanate (PMN-PT) thin film disks is shown to excite the tangential mode and family of elliptical compound resonant modes, utilizing a self-aligned and unpatterned electrode that spans the entire disk surface. The resonant mode coupling is achieved employing a unique property of [011] PMN-PT, where the in-plane piezoelectric coefficients have opposite sign. Fabricating 1-port disk transducers, RF reflection measurements are performed that demonstrate the compound mode family shapes in 1-30 MHz range. Independent verification of mode transduction is achieved using in-plane displacement measurements with Polytec's Laser Doppler Vibrometer (LDV). While tangential mode achieves 40$^o$/sec dithering rate at 335 kHz resonant frequency, the n=2 wine-glass mode achieves 11.46 nm tip displacement at 8.42 MHz resonant frequency on a radius of 60 $\mu$m disk resonator in air. A single electrode resonator that can excite both tangential and wine-glass modes with such metrics lays the foundation for a BAW MEMS gyroscope with a built-in primary calibration stage.

### Bethe Salpeter Equation Spectra for Very Large Systems

We present a highly efficient method for the extraction of optical properties of very large molecules via the Bethe-Salpeter equation. The crutch of this approach is the calculation of the action of the effective Coulombic interaction, $W$, through a stochastic TD Hartree propagation, which uses only 10 stochastic orbitals rather than propagating the full sea of occupied states. This leads to a scaling that is at most cubic in system size, with trivial MPI parallelization. We apply this new method to calculate the spectra and electronic density of the dominant excitons of a carbon-nanohoop bound fullerene system with 520 electrons, using less than 4000 core hours.

### Multi-particle Lagrangian statistics in homogeneous rotating turbulence

Geophysical flows are often turbulent and subject to rotation. This rotation modifies the structure of turbulence and is thereby expected to sensibly affect its Lagrangian properties. Here, we investigate the relative dispersion and geometry of pairs, triads and tetrads in homogeneous rotating turbulence, by using direct numerical simulations at different rotation rates. Pair dispersion is shown to be faster in the vertical direction (along the rotation axis) than in the horizontal one. At long times, in Taylor's regime, this is due to the slower decorrelation of the vertical velocity component as compared to the horizontal one. At short times, in the ballistic regime, this result can be interpreted by considering pairs of different orientations at the release time, and is a signature of the anisotropy of Eulerian second-order functions. Rotation also enhances the distortion of triads and tetrads also present in homogeneous and isotropic turbulence. In particular, at long times, the flattening of tetrads increases with the rotation rate. The maximal dimension of triads and tetrads is shown to be preferentially aligned with the rotation axis, in agreement with our observations for pairs.

### Field-free spin-orbit torque switching enabled by interlayer Dzyaloshinskii-Moriya interaction

Perpendicularly magnetized structures that are switchable using a spin current under field-free conditions can potentially be applied in spin-orbit torque magnetic random-access memory(SOT-MRAM).Several structures have been developed;however,new structures with a simple stack structure and MRAM compatibility are urgently needed.Herein,a typical structure in a perpendicular spin-transfer torque MRAM,the Pt/Co multilayer and its synthetic antiferromagnetic counterpart with perpendicular magnetic anisotropy, was observed to possess an intrinsic interlayer chiral interaction between neighboring magnetic layers,namely the interlayer Dzyaloshinskii-Moriya interaction (DMI) effect. Furthermore, using a current parallel to the eigenvector of the interlayer DMI, we switched the perpendicular magnetization of both structures without a magnetic field, owing to the additional symmetry-breaking introduced by the interlayer DMI. This SOT switching scheme realized in the Pt/Co multilayer and its synthetic antiferromagnet structure may open a new avenue toward practical perpendicular SOT-MRAM and other SOT devices.

### Sample size dependence of tagged molecule dynamics in steady-state networks with bimolecular reactions: Cycle times of a light-driven pump

Here, steady-state reaction networks are inspected from the viewpoint of individual tagged molecules jumping among their chemical states upon the occurrence of reactive events. Such an agent-based viewpoint is useful for selectively characterizing the behavior of functional molecules, especially in the presence of bimolecular processes. We present the tools for simulating the jump dynamics both in the macroscopic limit and in the small-volume sample where the numbers of reactive molecules are of the order of few units with an inherently stochastic kinetics. The focus is on how an ideal spatial "compartmentalization" may affect the dynamical features of the tagged molecule. Our general approach is applied to a synthetic light-driven supramolecular pump composed of ring-like and axle-like molecules that dynamically assemble and disassemble, originating an average ring-through-axle directed motion under constant irradiation. In such an example, the dynamical feature of interest is the completion time of direct/inverse cycles of tagged rings and axles. We find a surprisingly strong robustness of the average cycle times with respect to the system's size. This is explained in the presence of rate-determining unimolecular processes, which may, therefore, play a crucial role in stabilizing the behavior of small chemical systems against strong fluctuations in the number of molecules.

### Diffusion Changes the Peak Value of Energy Loss Observed in a LArTPC

Liquid Argon Time Projection Chamber (LArTPC) detectors observe ionization electrons to measure charged particle trajectories and energy. In a LArTPC, the long time ($\sim$ms) between when the ionization is produced and when it is collected means that diffusion can smear the charge by an amount comprable to the spatial resolution of the detector, given by the spacing between charge sensing channels ($\sim$mm). This smearing has an impact on the distribution of energy losses measured by each channel. In particular, the smearing acts to increase the effective "thickness" seen by each channel, and therefore the most-probable-value (MPV) of particle energy loss. We find, for example, that this effect shifts the MPV $dE/dx$ of a 1 GeV muon by ${\sim}4$% for a 2 ms drift time and 4.7 mm wire spacing, as in the DUNE-FD LArTPC. This has implications for the energy-scale calibration and electron lifetime measurements in a LArTPC, which both use the MPV of the muon energy loss Landau as a "standard candle". The impact of diffusion on these calibrations is assessed.

### A Mechanical Analog for Cities

Motivated from the increasing need to develop a quantitative, science-based, predictive understanding of the dynamics and response of cities when subjected to hazards, in this paper we apply concepts from statistical mechanics and microrheology to develop mechanical analogs for cities with predictive capabilities. We envision a city to be a matrix where people (cell-phone users) are driven by the economy of the city and other associated incentives while using the collection of its infrastructure networks in a similar way that thermally driven Brownian probe particles are moving within a complex viscoelastic material. Mean-square displacements (ensemble averages) of thousands of cell-phone users are computed from GPS location data to establish the creep compliance and the resulting impulse response function of a city. The derivation of these time-response functions allows the synthesis of simple mechanical analogs that model satisfactorily the behavior of the city under normal conditions. Our study concentrates on predicting the response of cities to acute shocks (natural hazards that stress the entire urban area) that are approximated with a rectangular pulse with finite duration; and we show that the solid-like mechanical analogs for cities that we derived predict that cities revert immediately to their pre-event response suggesting that they are inherently resilient. Our findings are in remarkable good agreement with the recorded response of the Dallas metroplex following the February 2021 North American winter storm which happened at a time for which we have dependable GPS location data.

### Extreme fast charging of batteries using thermal switching and self-heating

The long charge time of electric vehicles compared with the refueling time of gasoline vehicles, has been a major barrier to the mass adoption of EVs. Currently, the charge time to 80% state of charge in electric vehicles such as Tesla with fast charging capabilities is >30 minutes. For a comparable recharging experience as gasoline vehicles, governments and automobile companies have set <15 min with 500 cycles as the goal for extreme fast charging (XFC) of electric vehicles. One of the biggest challenges to enable XFC for lithium-ion batteries (LIBs) is to avoid lithium plating. Although significant research is taking place to enable XFC, no promising technology/strategy has still emerged for mainstream commercial LIBs. Here, we propose a thermally modulated charging protocol (TMCP) by active thermal switching for XFC, i.e., retaining the battery heat during XFC with the switch OFF for boosting the kinetics to avoid lithium plating while dissipating the heat after XFC with the switch ON for reducing side reactions. Our proposed TMCP strategy enables XFC of commercial high-energy-density LIBs with charge time <15 min and >500 cycles while simultaneously beating other targets set by US Department of energy (discharge energy density > 180 Wh/kg and capacity loss < 4.5%). Further, we develop a thermal switch based on shape memory alloy and demonstrate the feasibility of integrating our TMCP in commercial battery thermal management system.

### Einthoven's Triangle Revisited: A Mathematical Proof

Willem Einthoven is widely considered the father of the electrocardiogram (ECG). In 1912, he proposed a method of determining the electric axis of the heart by using an imaginary equilateral triangle connecting the limb leads, now known as Einthoven's triangle. In 1924, Einthoven was awarded the Nobel Prize in Physiology or Medicine for his discovery of the mechanisms of the electrocardiogram. More than a century later, Einthoven's triangle is still at the heart of ECG interpretation. It defines the axes of the ECG leads in the frontal plane, that in turn, determines the axis of the cardiac electric dipole. The method is ubiquitously taught in lectures and applied in clinical settings. But Einthoven did not provide a proof for choosing the equilateral triangle. Future medical literature have not explored its origins. This paper provides a formal proof of its derivation to complete this important chapter in medical history and medical education. In addition, the proof determines the geometric conditions for alternative systems of bipolar ECG lead configurations in the frontal plane.

### Mechanism of Superconductivity in the Hubbard Model at Intermediate Interaction Strength

We study the fluctuations responsible for pairing in the $d$-wave superconducting state of the two-dimensional Hubbard model at intermediate coupling within a cluster dynamical mean-field theory with a numerically exact quantum impurity solver. By analyzing how momentum and frequency dependent fluctuations generate the $d-$wave superconducting state in different representations, we identify antiferromagnetic fluctuations as the pairing glue of superconductivity both in the underdoped and the overdoped regime. Nevertheless, in the intermediate coupling regime, the predominant magnetic fluctuations may differ significantly from those described by conventional spin-fluctuation theory.

### A version of de Broglie's double solution theory reproducing Landau's quantization in a uniform magnetic field

In this work we develop a model based on the double solution theory of de Broglie in order to reproduce the famous Landau levels splitting in a constant magnetic field.

### Ultrafast collapse of molecular polaritons in photoswitch-nanoantennas at room temperature

Molecular polaritons are hybrid light-matter states that emerge when a molecular transition strongly interacts with photons in a resonator. At optical frequencies, this interaction unlocks a way to explore and control new chemical phenomena at the nanoscale. Achieving such a control at ultrafast timescales, however, is an outstanding challenge, as it requires a deep understanding of the dynamics of the collectively coupled molecular excitation and the nanoconfined electromagnetic fields. Here, we investigate the dynamics of collective polariton states, realized by coupling molecular photoswitches to optically anisotropic plasmonic nanoantennas. Pump-probe experiments reveal an ultrafast collapse of polaritons to a single-molecule transition triggered by femtosecond-pulse excitation at room-temperature. Through a synergistic combination of experiments and quantum mechanical modelling, we show that the response of the system is governed by intramolecular dynamics, occurring one order of magnitude faster with respect to the unperturbed excited molecule relaxation to the ground state.

### Statistics of diffusive encounters with a small target: Three complementary approaches

Diffusive search for a static target is a common problem in statistical physics with numerous applications in chemistry and biology. We look at this problem from a different perspective and investigate the statistics of encounters between the diffusing particle and the target. While an exact solution of this problem was recently derived in the form of a spectral expansion over the eigenbasis of the Dirichlet-to-Neumann operator, the latter is generally difficult to access for an arbitrary target. In this paper, we present three complementary approaches to obtain explicit approximations for the probability density of the rescaled number of encounters with a small target in a bounded confining domain. In particular, we derive a simple fully explicit approximation, which depends only on a few geometric characteristics such as the surface area and the harmonic capacity of the target, and the volume of the confining domain. We discuss the advantages and limitations of three approaches and check their accuracy. We also deduce an explicit approximation for the distribution of the first-crossing time, at which the number of encounters exceeds a prescribed threshold. Its relations to common first-passage time problems are discussed.

### Advanced Thermostats for Molecular Dynamics

Advanced thermostats for molecular dynamics are proposed on the base of the rigorous Langevin dynamics. Because the latter accounts properly for the subsystem-bath interactions, the bath anisotropy and nonuniformity are described by the relevant friction tensor. The developed model reflects appropriately the relativistic dynamics of the subsystem evolution with large momenta of the subsystem particles as well as the nonlinear friction at high temperature.

### Driving Force and Nonequilibrium Vibronic Dynamics in Charge Separation of Strongly Bound Electron-Hole Pairs

Electron-hole pairs in organic photovoltaics dissociate efficiently despite their Coulomb-binding energy exceeding thermal energy at room temperature. The electronic states involved in charge separation couple to structured vibrational environments containing multiple underdamped modes. The non-perturbative simulations of such large, spatially extended electronic-vibrational (vibronic) systems remains an outstanding challenge. Current methods bypass this difficulty by considering effective one-dimensional Coulomb potentials or unstructured environments. Here we extend and apply a recently developed method for the non-perturbative simulation of open quantum systems to the dynamics of charge separation in one, two and three-dimensional donor-acceptor networks. This allows us to identify the precise conditions in which underdamped vibrational motion induces efficient long-range charge separation. Our analysis provides a comprehensive picture of ultrafast charge separation by showing how different mechanisms driven either by electronic or vibronic couplings are well differentiated for a wide range of driving forces and how entropic effects become apparent in large vibronic systems. These results allow us to quantify the relative importance of electronic and vibronic contributions in organic photovoltaics and provide a toolbox for the design of efficient charge separation pathways in artificial nanostructures.

### Algorithms for spanning trees of unweighted networks

Spanning tree of a network or a graph is a subgraph connecting all the nodes with the minimum number of edges. Spanning tree retains the connectivity of a network and possibly other structural properties, and is one of the simplest techniques for network simplification or sampling, and for revealing its backbone or skeleton. The Prim's algorithm and the Kruskal's algorithm are well known algorithms for computing a spanning tree of a weighted network. In this paper, we study the performance of these algorithms on unweighted networks, and compare them to different priority-first search algorithms. We show that the distances between the nodes and the diameter of a network are best preserved by an algorithm based on the breadth-first search node traversal. The algorithm computes a spanning tree with properties of a balanced tree and a power-law node degree distribution. We support our results by experiments on synthetic graphs and more than a thousand real networks, and demonstrate different practical applications of computed spanning trees. We conclude that, if a spanning tree is supposed to retain the distances between the nodes or the diameter of an unweighted network, then the breadth-first search algorithm should be the preferred choice.

### The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials

The rapid progress of machine learning interatomic potentials over the past couple of years produced a number of new architectures. Particularly notable among these are the Atomic Cluster Expansion (ACE), which unified many of the earlier ideas around atom density-based descriptors, and Neural Equivariant Interatomic Potentials (NequIP), a message passing neural network with equivariant features that showed state of the art accuracy. In this work, we construct a mathematical framework that unifies these models: ACE is generalised so that it can be recast as one layer of a multi-layer architecture. From another point of view, the linearised version of NequIP is understood as a particular sparsification of a much larger polynomial model. Our framework also provides a practical tool for systematically probing different choices in the unified design space. We demonstrate this by an ablation study of NequIP via a set of experiments looking at in- and out-of-domain accuracy and smooth extrapolation very far from the training data, and shed some light on which design choices are critical for achieving high accuracy. Finally, we present BOTNet (Body-Ordered-Tensor-Network), a much-simplified version of NequIP, which has an interpretable architecture and maintains accuracy on benchmark datasets.

### A weighted first-order formulation for solving anisotropic diffusion equations with deep neural networks

In this paper, a new weighted first-order formulation is proposed for solving the anisotropic diffusion equations with deep neural networks. For many numerical schemes, the accurate approximation of anisotropic heat flux is crucial for the overall accuracy. In this work, the heat flux is firstly decomposed into two components along the two eigenvectors of the diffusion tensor, thus the anisotropic heat flux approximation is converted into the approximation of two isotropic components. Moreover, to handle the possible jump of the diffusion tensor across the interface, the weighted first-order formulation is obtained by multiplying this first-order formulation by a weighted function. By the decaying property of the weighted function, the weighted first-order formulation is always well-defined in the pointwise way. Finally, the weighted first-order formulation is solved with deep neural network approximation. Compared to the neural network approximation with the original second-order elliptic formulation, the proposed method can significantly improve the accuracy, especially for the discontinuous anisotropic diffusion problems.

### Model-Free Data-Driven Viscoelasticity in the Frequency Domain

We develop a Data-Driven framework for the simulation of wave propagation in viscoelastic solids directly from dynamic testing material data, including data from Dynamic Mechanical Analysis (DMA), nano-indentation, Dynamic Shear Testing (DST) and Magnetic Resonance Elastography (MRE), without the need for regression or material modeling. The problem is formulated in the frequency domain and the method of solution seeks to minimize a distance between physically admissible histories of stress and strain, in the sense of compatibility and equilibrium, and the material data. We metrize the space of histories by means of the flat-norm of their Fourier transform, which allows consideration of infinite wave trains such as harmonic functions. Another significant advantage of the flat norm is that it allows the response of the system at one frequency to be inferred from data at nearby frequencies. We demonstrate and verify the approach by means of two test cases, a polymeric truss structure characterized by DMA data and a 3D soft gel sample characterized by MRE data. The examples demonstrate the ease of implementation of the Data-Driven scheme within conventional commercial codes and its robust convergence properties, both with respect to the solver and the data.

### Unveiling the mixed nature of polaritonic transport: From enhanced diffusion to ballistic motion approaching the speed of light

In recent years it has become clear that the transport of excitons and charge carriers in molecular systems can be enhanced by coherent coupling with photons, giving rise to the formation of hybrid excitations known as polaritons. Such enhancement has far-reaching technological implications, however, the enhancement mechanism and the transport nature of these composite light-matter excitations in such systems still remain elusive. Here we map the ultrafast spatiotemporal dynamics of surface-bound optical waves strongly coupled to a self-assembled molecular layer and fully resolve them in energy/momentum space. Our studies reveal intricate behavior which stems from the hybrid nature of polaritons. We find that the balance between the molecular disorder and long-range correlations induced by the coherent mixing between light and matter leads to a mobility transition between diffusive and ballistic transport, which can be controlled by varying the light-matter composition of the polaritons. Furthermore, we directly demonstrate that the coupling with light can enhance the diffusion coefficient of molecular excitons by six orders of magnitude and even lead to ballistic flow at two-thirds the speed of light.

### Artificial Intelligence-Assisted Optimization and Multiphase Analysis of Polygon PEM Fuel Cells

This article presents new PEM fuel cell models with hexagonal and pentagonal designs. After observing cell performance improvement in these models, we optimized them. Inlet pressure and temperature were used as input parameters, and consumption and output power were the target parameters of the multi-objective optimization algorithm. Then we used artificial intelligence techniques, including deep neural networks and polynomial regression, to model the data. Next, we employed the RSM (Response Surface Method) method to derive the target functions. Furthermore, we applied the NSGA-II multi-objective genetic algorithm to optimize the targets. Compared to the base model (Cubic), the optimized Pentagonal and Hexagonal models averagely increase the output current density by 21.819% and 39.931%, respectively.

### Prototype Development and Validation of a Beam-Divergence Control System for Free-Space Laser Communications

Being able to dynamically control the transmitted-beam divergence can bring important advantages in free-space optical communications. Specifically, this technique can help to optimize the overall communications performance when the optimum laser-beam divergence is not fixed or known. This is the case in most realistic space laser communication systems, since the optimum beam divergence depends on multiple factors that can vary with time, such as the link distance, or cannot be accurately known, such as the actual pointing accuracy. A dynamic beam-divergence control allows to optimize the link performance for every platform, scenario, and condition. NICT is currently working towards the development of a series of versatile lasercom terminals that can fit a variety of conditions, for which the adaptive element of the transmitted beam divergence is a key element. This manuscript presents a prototype of a beam-divergence control system designed and developed by NICT and Tamron to evaluate this technique and to be later integrated within the lasercom terminals. The basic design of the prototype is introduced as well as the first validation tests that demonstrate its performance.

### The Effect of Ocean Salinity on Climate and Its Implications for Earth's Habitability

The influence of atmospheric composition on the climates of present-day and early Earth has been studied extensively, but the role of ocean composition has received less attention. We use the ROCKE-3D ocean-atmosphere general circulation model to investigate the response of Earth's present-day and Archean climate system to low vs. high ocean salinity. We find that saltier oceans yield warmer climates in large part due to changes in ocean dynamics. Increasing ocean salinity from 20 g/kg to 50 g/kg results in a 71% reduction in sea ice cover in our present-day Earth scenario. This same salinity change also halves the pCO$_2$ threshold at which Snowball glaciation occurs in our Archean scenarios. In combination with higher levels of greenhouse gases such as CO$_2$ and CH$_4$, a saltier ocean may allow for a warm Archean Earth with only seasonal ice at the poles despite receiving 20% less energy from the Sun.

### Tuneable defect-curvature coupling and topological transitions in active shells

Recent experimental observations have demonstrated that topological defects can facilitate the development of sharp features, such as tentacles and protrusions, at the early stage of embryonic morphogenesis. Whereas these observations echo established knowledge about the interplay between geometry and topology in two-dimensional passive liquid crystals, the role of activity has mostly remained unexplored. In this article we focus on deformable shells consisting of either polar or nematic active liquid crystals and demonstrate that activity renders the mechanical coupling between defects and curvature much more involved and versatile than previously thought. Using a combination of linear stability analysis and three-dimensional computational fluid dynamics, we demonstrate that such a coupling can in fact be tuned, depending on the type of liquid crystal order, the specific structure of the defect (i.e. asters or vortices) and the nature of the active forces. In polar systems, this can drive a spectacular transition from spherical to toroidal topology, in the presence of large extensile activity. Our analysis strengthens the idea that defects could serve as topological morphogens and provides a number of predictions that could be tested in in vitro studies, for instance in the context of organoids.