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A two-dimensional particle-in-cell code for simulation of low-frequency electromagnetic processes in laboratory plasmas has been developed. The code uses the Darwin method omitting the electromagnetic wave propagation. The Darwin method separates the electric field into solenoidal and irrotational parts. The irrotational electric field is the electrostatic field calculated with the direct implicit algorithm. The solenoidal electric field is calculated with a new algorithm based on the equation for the electric field vorticity. The new algorithm is faster and more reliable than the Streamlined Darwin Field Formulation introduced decades ago. The system of linear equations in the new algorithm is solved using a standard iterative method. The code is applied to simulate an inductively coupled plasma with the driving current flowing around the plasma region.

It is shown that for carbon monosulfide ${\rm C}\,{\rm S}$ in the Born-Oppenheimer formalism, by taking into account the RKR turning points found by Coxon and Hajigeorgiou (2023), and asymptotics at small and large internuclear distances, the potential curve $V(R)$ for the electronic ground state $X^1\Sigma^+$ is constructed in full generality for the whole range of internuclear distances $R \in [0,\infty)$ with an accuracy of 3-4 significant figures. Solving two-body nuclear Schr\"odinger equation with the potential $V(R)$ the whole rovibrational spectrum for ${}^{12} {\rm C}\,{}^{32} {\rm S}$ dimer is found: the $\sim 14500$ rovibrational energy states with $L_{max}=289$ and $\nu_{max} \sim 82$ with accuracy $\sim 10^{-4}$ hartree in energy., Comment: 11 pages, 2 figures, 2 tables

We report on the induction of magnetization in Rydberg systems by means of the inverse Faraday effect, and propose the appearance of the effect in two such systems, Rydberg atoms proper and shallow dopants in semiconductors. Rydberg atoms are characterized by a large orbital radius. This large radius gives such excited states a large angular moment, which when driven with circularly polarized light, translates to a large effective magnetic field. We calculate this effect to generate effective magnetic fields of $O(10\,\text{mT})\times\left( \frac{\omega}{1\,\text{THz}} \right)^{-1} \left( \frac{I}{10\,{W\,cm}^{-2}} \right)$ in Rydberg states of Rb and Cs for a $1\,\text{THz}$ beam of intensity $10\,\text{W}\,\text{cm}^{-2}$. The magnitude of the effective magnetic field scales with the principal quantum number as $n^4$. Additionally, THz spectroscopy of phosphorus doped silicon reveals a large cross-section for excitation of shallow dopants to Rydberg-like states, which even for small $n$ can be driven similarly with circularly polarized light to produce even larger magnetization, with ${B}_{\text{eff}}$ which we estimate as $O(1\,\text{mT})$ for Si:P with the same beam parameters.

We present a low-resource and robust optical implementation of the four-dimensional Grover coin, a four-port linear-optical scatterer that augments the low dimensionality of a regular beam-splitter. While prior realizations of the Grover coin required a potentially unstable ring-cavity to be formed, this version of the scatterer does not exhibit any internal interference. When this Grover coin is placed in another system, it can be used for interferometry with a higher-dimensional set of optical field modes. In this case, we formed a Grover-Michelson interferometer, which results when the traditional beam-splitter of a Michelson interferometer is replaced with a four-port Grover coin. This replacement has been shown to remove a phase parameter redundancy in the original Michelson system, now allowing continuous tuning of the shape and slope of the interference pattern. We observed an intensity interferogram with $97\%$ visibility and a phase sensitivity more than an order of magnitude larger than a regular Michelson interferometer. Because this device is readily formed with nearly the same number of optomechanical resources as a Michelson interferometer, but can outperform it drastically in phase delay evaluation, it has a great potential to improve many interferometric sensing and control systems., Comment: 12 pages, 6 figures

It is shown by analyzing the $1D$ Schr\"odinger equation the discontinuities in the coupling constant can occur in both the energies and the eigenfunctions. Surprisingly, those discontinuities, which are present in the energies versus the coupling constant, are of three types only: (i) discontinuous energies (similar to the 1st order phase transitions), (ii) discontinuous first derivative in the energy while the energy is continuous (similar to the 2nd order phase transitions), (ii) the energy and all its derivatives are continuous but the functions are different below and above the point of discontinuity (similar to the infinite order phase transitions). Supersymmetric (SUSY) Quantum Mechanics provides a convenient framework to study this phenomenon., Comment: 15 pages, 13 figures

A topological space $X$ is Baire if the Baire Category Theorem holds for $X$, i.e., the intersection of any sequence of open dense subsets of $X$ is dense in $X$. One of the interesting problems in the theory of functional spaces is the characterization of the Baire property of a functional space through the topological property of the support of functions. In the paper this problem is solved for the space $M(X, K)$ of all measurable compact-valued ($K$-valued) functions defined on a measurable space $(X,\Sigma)$ with the topology of pointwise convergence. It is proved that $M(X, K)$ is Baire for any metrizable compact space $K$., Comment: 9 pages

We generalize conventional multiferroicity \ -- simultaneous existence of ferroelectric and ferromagnetic orders \ -- to multipolar degrees of freedom, examining its emergence in a $d^2$ Mott insulator with strong spin-orbit and Hund's couplings. Specifically, we investigate the origin of magnetic multipolar interactions in $d^2$ Mott insulators. In addition, we show that an admixture of quadrupolar and octupolar magnetic order simultaneously induces electrical quadrupolar and ferroelectric polarization. Our theoretical formalism extends the multiferroic framework to the higher-order sector, exploring the possibility of coexisting multipolar orders of the same and different ranks. We finally comment on some of the experimental signatures., Comment: 5+12 pages, 7 figures, comments are welcome

We study theoretically an array of two-level qubits moving relative to a one-dimensional waveguide. This motion can be implemented mechanically or simulated via the modulation of the couplings between the qubits and the waveguide. When the frequency of this motion approaches twice the qubit resonance frequency, it induces parametric generation of photons and excitation of the qubits. The proposed quantum optomechanical system offers a plethora of possibilities for exploring various quantum electrodynamics phenomena. However, their theoretical analysis is challenging due to the presence of quantum nonlinearity, a continuum of propagating photonic modes, and the excitation of strongly nonequilibrium qubit states, which make many conventional analytical tools inapplicable. To address these challenges, we develop a comprehensive general theoretical framework that incorporates both perturbative diagrammatic techniques and a rigorous master-equation approach. Our calculations reveal several intriguing effects, including the directional dynamical Casimir effect, where momenta of emitted photon pairs are correlated, and the waveguide-mediated collective Unruh effect, where motion drives the qubits to a nontrivial steady state that can be entangled and exhibit phase transitions. Additionally, we examine the radiation back-action on the qubit motion, which becomes particularly pronounced when subradiant modes in the qubit array are excited. The back-action can significantly alter the mechanical spectra, potentially leading to the formation of hybrid phonon-biphoton modes., Comment: 22 pages, 15 figures

We consider a model of stable edge sets (``matchings'') in a bipartite graph $G=(V,E)$ in which the preferences for vertices of one side (``firms'') are given via choice functions subject to standard axioms of consistency, substitutability and cardinal monotonicity, whereas the preferences for the vertices of the other side (``workers'') via linear orders. For such a model, we present a combinatorial description of the structure of rotations and develop an algorithm to construct the poset of rotations, in time $O(|E|^2)$ (including oracle calls). As consequences, one can obtain a ``compact'' affine representation of stable matchings and efficiently solve some related problems. Keywords: bipartite graph, choice function, linear preferences, stable matching, affine representation, sequential choice, Comment: 26 pages. This version is fully written in English

Using symmetry considerations, we derive a unitary scattering matrix for a three-port optical Y-coupler or Y-branch. The result is shown to be unique up to external phase shifts. Unlike traditional passive linear-optical one-way splitters, coupling light into the conventional output ports of the Y-coupler results in strong coherent back-reflections, making the device a hybrid between feed-forward devices like the beam splitter, which do not reverse the direction of light, and a recently considered class of directionally unbiased multiport scatterers (with dimension greater than two) which do. While the device could immediately find use as a novel scattering vertex for the implementation of quantum walks, we also design a few simple but nonetheless useful optical systems that can be constructed by taking advantage of the symmetry of the scattering process. This includes an interference-free, resource-efficient implementation of the Grover four-port and a higher-dimensional Fabry-Perot interferometer with tunable finesse. Symmetry-breaking generalizations are also considered.

An efficient approach to calculate approximate pure-state and transition reduced density matrices in the framework of the multireference relativistic Fock-space coupled cluster (FS CC) theory is proposed. The method is based on the effective operator formalism and consists of the direct substitution of the FS CC Ansatz for a wave operator into the effective operator expression with the subsequent truncation of expansion at the terms quadratic in cluster amplitudes. The final density matrix is defined by active-space density matrices of different ranks "dressed" with contributions from cluster operators. The method gives a connected expression for pure-state density matrices, provided that the intermediate normalization condition is fulfilled. Moreover, under some additional assumptions, the connectivity can also be ensured for calculated transition property matrix elements and natural transition spinors. The developed technique allows for fast and accurate calculations of one-particle reduced density matrices for a wide range of electronic states. A pilot application of the new technique to construct averaged atomic natural orbital (ANO) basis sets for fully relativistic electronic structure calculations is presented.

We suggest a new technique of the asymptotic heat kernel expansion for minimal higher derivative operators of a generic $2M$-th order, $F(\nabla)=(-\Box)^M+\cdots$, in the background field formalism of gauge theories and quantum gravity. This technique represents the conversion of the recently suggested Fourier integral method of generalized exponential functions [Phys. Rev. D105, 065013 (2022), arXiv:2112.03062] into the commutator algebra of special differential operators, which allows one to express expansion coefficients for $F(\nabla)$ in terms of the Schwinger-DeWitt coefficients of a minimal second order operator $H(\nabla)$. This procedure is based on special functorial properties of the formalism including the Mellin-Barnes representation of the complex operator power $H^M(\nabla)$ and naturally leads to the origin of generalized exponential functions without directly appealing to the Fourier integral method. The algorithm is essentially more straightforward than the Fourier method and consists of three steps ready for computer codification by symbolic manipulation programs. They begin with the decomposition of the operator into a power of some minimal second order operator $H(\nabla)$ and its lower derivative "perturbation part" $W(\nabla)$, $F(\nabla)=H^M(\nabla)+W(\nabla)$, followed by considering their multiple nested commutators. The second step is the construction of special local differential operators -- the perturbation theory in powers of the lower derivative part $W(\nabla)$. The final step is the so-called procedure of their {\em syngification} consisting in a special modification of the covariant derivative monomials in these operators by Synge world function $\sigma(x,x')$ with their subsequent action on the HaMiDeW coefficients of $H(\nabla)$., Comment: 15 pages

We deal with the $n$-dimensional nonlinear Schr\"{o}dinger equation (NLSE) with a cubic nonlocal nonlinearity and an anti-Hermitian term, which is widely used model for the study of open quantum system. We construct asymptotic solutions to the Cauchy problem for such equation within the formalism of semiclassical approximation based on the Maslov complex germ method. Our solutions are localized in a neighbourhood of few points for every given time, i.e. form some spatial pattern. The localization points move over trajectories that are associated with the dynamics of semiclassical quasiparticles. The Cauchy problem for the original NLSE is reduced to the system of ODEs and auxiliary linear equations. The semiclassical nonlinear evolution operator is derived for the NLSE. The general formalism is applied to the specific one-dimensional NLSE with a periodic trap potential, dipole-dipole interaction, and phenomenological damping. It is shown that the long-range interactions in such model, which are considered through the interaction of quasiparticles in our approach, can lead to drastic changes in the behaviour of our asymptotic solutions., Comment: 38 pages, 6 figures

We demonstrate that the optical response of twisted photonic bilayers is sensitive to both spin angular momentum (SAM) and orbital angular momentum (OAM) of light. Due to the transfer of the angular momenta between the light and the bilayer, optical beams with zero SAM and OAM acquire SAM upon transmission and OAM upon reflection. Our numerical calculations and the developed analytical theory show that the values of the emergent SAM and OAM depend differently on the interlayer distance and can be controlled by tuning the twist angle. The predicted phenomena do not require light absorption and are caused by the helicity-dependent light diffraction on the moir\'e pattern, which inevitably occurs in the twisted structure, and SAM-OAM conversion. We also reveal strong SAM and OAM in the moir\'e-diffracted beams., Comment: 8 pages, 4 figures

The Su-Schrieffer-Heeger (SSH) system is a popular model for exploring topological insulators and topological phases in one dimension. Recent interest in exceptional points has led to re-examination of non-Hermitian generalizations of many physical models, including the SSH model. In such non-Hermitian systems, singular points called exceptional points (EPs) appear that are of interest for applications in super-resolution sensing systems and topological lasers. Here, a non-Hermitian and non-PT-symmetric variation of the SSH model is introduced, in which the hopping amplitudes are non-reciprocal and vary monotonically along the chain. It is found that, while the existence of the EPs is due to the nonreciprocal couplings, the number, position, and order of the EPs can all be altered by the addition of the hopping amplitude gradient, adding a new tool for tailoring the spectrum of a non-Hermitian system.

Modeling of wrinkles and folds formation in single and multilayer graphene sheets lying on flat deformable (polymer) substrates has been carried out. It is shown that the deformability of the substrate leads to the appearance of significant features. In contrast to the flat surfaces of rigid crystals molecules of soft polymer substrates can penetrate into wrinkles and folds of the graphene sheet, completely filling the voids beneath the sheet. Moreover, the vertical folds of the sheet can be directed not only upward from the substrate, but also down into the substrate, penetrating it. By modeling the uniaxial compression of the two-component graphene/polymer system, the external pressure and thermal vibrations of the substrate molecules have been taken into account. High external pressure $p\ge 150$~bar leads to a noticeable additional stabilization of the initial ground state of the system. At uniaxial compression above the critical value, a system of localized wrinkles whose interior is filled with molecules of the substrate appears in the graphene sheet. Increasing temperature leads to an increase in the size of wrinkles and to a decrease in their number. The largest wrinkles form before the substrate begins to melt. Melting leads to the complete disappearance of all wrinkles and small folds. Cooling of the melted substrate leads to its crystallization, but the system of wrinkles in the graphene sheet on the surface is not restored. Therefore, melting of the polymer substrate and its subsequent cooling can serve as a method getting rid of localized wrinkles and folds of the graphene sheet., Comment: 11 pages, 11 figures

A resonant tunneling effect of an extremely thin potential well on the transmission of charged particles through a planar heterostructure with an arbitrary potential profile is investigated in a squeezing limit as the well width tends to zero. In this limit, the transmission probability through the structure is shown to be blocked for all the parameter values of the well, except a resonance set of Lebesgue measure zero. The peak-to-valley ratio is shown to increase crucially with the squeezing of the well: the thinner is its thickness, the resonant peaks become sharper and localized at isolated points. Contrary, a discrete spectrum of the heterostructure (if any) does exist both on the resonance set and beyond it, however, the squeezing scenario here turns out to be quite interesting and sophisticated., Comment: 5 figures

We propose to realize the quantum nonlinear Hall effect and the inverse Faraday effect through the acoustic wave in a time-reversal invariant but inversion broken Dirac insulator. We focus on the acoustic frequency much lower than the Dirac gap such that the interband transition is suppressed and these effects arise solely from the intrinsic valley-contrasting band topology. The corresponding acoustoelectric conductivity and magnetoacoustic susceptibility are both proportional to the quantized valley Chern number and independent of the quasiparticle lifetime. The linear and nonlinear components of the longitudinal and transverse topological currents can be tuned by adjusting the polarization and propagation directions of the surface acoustic wave. The static magnetization generated by a circularly polarized acoustic wave scales linearly with the acoustic frequency as well as the strain-induced charge density. Our results unveil a quantized nonlinear topological acoustoelectric response of gapped Dirac materials, like hBN and transition-metal dichalcogenide, paving the way toward room-temperature acoustoelectric devices due to their large band gaps., Comment: 6 pages, 2 figures in main text, and 7 pages, 5 figures, 2 tables in supplement

We pass to the limit in the homogenization of an optimal control problem associated with a parabolic equation with a dynamic boundary condition. New unexpected terms appear due to the critical scale.

Leakage from the computational subspace is a damaging source of noise that degrades the performance of most qubit types. Unlike other types of noise, leakage cannot be overcome by standard quantum error correction techniques and requires dedicated leakage reduction units. In this work, we study the effects of leakage mobility between superconducting qubits on the performance of a quantum stability experiment, which is a benchmark for fault-tolerant logical computation. Using the Fujitsu Quantum Simulator, we perform full density-matrix simulations of stability experiments implemented on the surface code. We observe improved performance with increased mobility, suggesting leakage mobility can itself act as a leakage reduction unit by naturally moving leakage from data to auxiliary qubits, where it is removed upon reset. We compare the performance of standard error-correction circuits with "patch wiggling", a specific leakage reduction technique where data and auxiliary qubits alternate their roles in each round of error correction. We observe that patch wiggling becomes inefficient with increased leakage mobility, in contrast to the improved performance of standard circuits. These observations suggest that the damage of leakage can be overcome by stimulating leakage mobility between qubits without the need for a dedicated leakage reduction unit., Comment: 6+4 pages, 3+4 figures

We investigate the interaction of a transmon qubit with a classical gravitational field. Exploiting the generic phenomena of the gravitational redshift and Aharonov-Bohm phase, we show that entangled quantum states dephase with a universal rate. The gravitational phase shift is expressed in terms of a quantum computing noise channel. We give a measurement protocol based on a modified phase estimation algorithm which is linear in the phase drift, which is optimal for measuring the small phase that is acquired from the gravitation channel. Additionally, we propose qubit-based platforms as quantum sensors for precision gravitometers and mechanical strain gauges as an example of this phenomenon's utility. We estimate a sensitivity for measuring the local gravitational acceleration to be $\delta g/g \sim 10^{-7}$. This paper demonstrates that classical gravitation has a non-trivial influence on quantum computing hardware, and provides an illustration of how quantum computing hardware may be utilized for purposes other than computation. While we focus on superconducting qubits, we point the universal nature of gravitational phase effects for all quantum platforms., Comment: 10 pages, 3 figures

A space $X$ is sequentially separable if there is a countable $S\subset X$ such that every point of $X$ is the limit of a sequence of points from $S$. In 2004, N.V. Velichko defined and investigated concepts close to sequentially separability: $\sigma$-separability and $F$-separability. The aim of this paper is to study $\sigma$-separability and $F$-separability (and their hereditary variants) of the space $C_p(X)$ of all real-valued continuous functions, defined on a Tychonoff space $X$, endowed with the pointwise convergence topology. In particular, we proved that $\sigma$-separability coincides with sequential separability. Hereditary variants (hereditarily $\sigma$-separablity and hereditarily $F$-separablity) coincides with Frechet-Urysohn property in the class of cosmic spaces., Comment: 12 pages

We compute the potential-graviton contribution to the scattering amplitude, the radial action, and the scattering angle of two extremal black holes in N = 8 supergravity at the fifth post-Minkowskian order to next-to-leading order in a large mass expansion (first self-force order). Properties of classical unitarity cuts allow us to focus on the integration-by-parts reduction of planar integrals, while nonplanar integrals at this order are obtained from the planar ones by straightforward manipulations. We present all master integrals and solve their associated differential equations necessary to evaluate the classical scattering amplitudes of massive scalar particles at this order in all gravitational theories, in particular in N = 8 supergravity, and in general relativity. Despite the appearance of higher-weight generalized polylogarithms and elliptic functions in the solution to the differential equation for master integrals, the final supergravity answer is remarkably simple and contains only (harmonic) polylogarithmic functions up to weight 2. The systematic analysis of elliptic integrals discussed here, as well as the particular organization of boundary integrals in N = 8 observables are independent of supersymmetry and may have wider applications, including to aspects of collider physics., Comment: 50 pages, 6 figures

Atomistic modeling is a widely employed theoretical method of computational materials science. It has found particular utility in the study of magnetic materials. Initially, magnetic empirical interatomic potentials or spin-polarized density functional theory (DFT) served as the primary models for describing interatomic interactions in atomistic simulations of magnetic systems. Furthermore, in recent years, a new class of interatomic potentials known as magnetic machine-learning interatomic potentials (magnetic MLIPs) has emerged. These MLIPs combine the computational efficiency, in terms of CPU time, of empirical potentials with the accuracy of DFT calculations. In this review, our focus lies on providing a comprehensive summary of the interatomic interaction models developed specifically for investigating magnetic materials. We also delve into the various problem classes to which these models can be applied. Finally, we offer insights into the future prospects of interatomic interaction model development for the exploration of magnetic materials.

The independent atom ansatz of density functional theory yields an accurate analytical expression for dynamic correlation energy in the H$_{2}$ molecule: $E_{c} = 0.5(1 - \sqrt{2})(ab|ba)$ for the atom-additive self-consistent density $\rho = |a|^{2} + |b|^{2}$. Combined with exact atomic self-exchange, it recovers more than 99.5 % of nearly exact SCAN exchange-correlation energy at R > 0.5 $\r{A}$, differing by less than 0.12 eV. The total energy functional correctly dissociates the H-H bond and yields absolute errors of 0.002 $\r{A}$, 0.19 eV, and 13 cm$^{-1}$ relative to experiment at the tight binding computational cost. The chemical bond formation is attributed to the asymptotic Heitler-London resonance of quasi-orthogonal atomic states ($- (ab|ba)$) with no contributions from kinetic energy or charge accumulation in the bond., Comment: 7 pages, 4 figures

We synthesize and spectroscopically investigate monolayer C$_{60}$ on the topological insulator (TI) Bi$_4$Te$_3$. This C$_{60}$/Bi$_4$Te$_3$ heterostructure is characterized by excellent translational order in a novel (4 x 4) C$_{60}$ superstructure on a (9 x 9) unit of Bi$_4$Te$_3$. We measure the full two-dimensional energy band structure of C$_{60}$/Bi$_4$Te$_3$ using angle-resolved photoemission spectroscopy (ARPES). We find that C$_{60}$ accepts electrons from the TI at room temperature but no charge transfer occurs at low temperatures. We unravel this peculiar behaviour by Raman spectroscopy of C$_{60}$/Bi$_4$Te$_3$ and density functional theory (DFT) calculations of the electronegativity of C$_{60}$. Both methods are sensitive to orientational order of C$_{60}$. At low temperatures, Raman spectroscopy shows a dramatic intensity increase of the C$_{60}$ Raman signal, evidencing a transition to a rotationally ordered state. DFT reveals that the orientational order of C$_{60}$ at low temperatures has a higher electron affinity than at high temperatures. These results neatly explain the temperature-dependent charge transfer observed in ARPES. Our conclusions are supported by the appearance of a strong photoluminescence from C$_{60}$/Bi$_4$Te$_3$ at low temperatures.

We present a finite-element approach for computing the aggregate scattering matrix of a network of linear coherent scatterers. These might be optical scatterers or more general scattering coins studied in quantum walk theory. While techniques exist for two-dimensional lattices of feed-forward scatterers, the present approach is applicable to any network configuration of any collection of scatterers. Unlike traditional finite-element methods in optics, this method does not directly solve Maxwell's equations; instead it is used to assemble and solve a linear, coupled scattering problem that emerges after Maxwell's equations are abstracted within the scattering matrix method. With this approach, a global unitary is assembled corresponding to one time step of the quantum walk on the network. After applying the relevant boundary conditions to this global matrix, the problem becomes non-unitary, and possesses a steady-state solution which is the output scattering state. We provide an algorithm to obtain this steady-state solution exactly using a matrix inversion, yielding the scattering state without requiring a direct calculation of the eigenspectrum. The approach is then numerically validated on a coupled-cavity interferometer example that possesses a known, closed-form solution. Finally, the method is shown to be a generalization of the Redheffer star product, which describes scatterers on one-dimensional lattices (2-regular graphs) and is often applied to the design of thin-film optics, making the current approach an invaluable tool for the design and validation of high-dimensional phase-reprogrammable optical devices and study of quantum walks on arbitrary graphs.

The increasing financial and environmental cost of many inorganic materials has motivated study into organic and "green" alternatives. However, most organic compounds contain a large number of atoms in the primitive unit cell, posing a significant barrier to high-throughput screening for functional properties. In this work, we attempt to overcome this challenge and identify superconducting candidates among the metal-organic-frameworks in the organic materials database using a recently proposed proxy for the electron-phonon coupling. We then isolate the most promising candidate for in-depth analysis, C$_{9}$H$_{8}$Mn$_{2}$O$_{11}$, providing evidence for superconductivity below $100$mK., Comment: 6 pages, 4 figures

We developed a method for fitting machine-learning interatomic potentials with magnetic degrees of freedom, namely, magnetic Moment Tensor Potentials (mMTP). The main feature of our method consists in fitting mMTP to magnetic forces (negative derivatives of energies with respect to magnetic moments) as obtained spin-polarized density functional theory calculations. We test our method on the bcc Fe-Al system with different compositions. Specifically, we calculate formation energies, equilibrium lattice parameter, and total cell magnetization. Our findings demonstrate an accurate correspondence between the values calculated with mMTP and those obtained by DFT at zero temperature. Additionally, using molecular dynamics, we estimate the finite-temperature lattice parameter and capture the cell expansion as was previously revealed in experiment. Furthermore, we demonstrate that fitting to magnetic forces increases the reliability of structure relaxation (or, equilibration), in the sense of ensuring that every relaxation run ends up with a successfully relaxed structure (the failure may otherwise be caused by falsely driving a configuration away from the region covered in the training set).

A central concept within informatics is in modelling such systems for the purpose of reasoning (perhaps automated) about their behaviour and properties. To this end, one requires an interpretation of logical formulae in terms of the resources and states of the system; such an interpretation is called a 'resource semantics' of the logic. This paper shows how 'inferentialism' -- the view that meaning is given in terms of inferential behaviour -- enables a versatile and expressive framework for resource semantics. Specifically, how inferentialism seamlessly incorporates the assertion-based approach of the logic of Bunched Implications, foundational in program verification (e.g., as the basis of Separation Logic), and the renowned number-of-uses reading of Linear Logic. This integration enables reasoning about shared and separated resources in intuitive and familiar ways, as well as about the composition and interfacing of system components., Comment: An abstract of conference paper 'Inferentialist Resource Semantics' (Accepted at MFPS 2024) that was presented at SLSS 2024. arXiv admin note: substantial text overlap with arXiv:2402.09217

Nonlinear optical phenomena are at the heart of various technological domains such as high-speed data transfer, optical logic applications, and emerging fields such as non-reciprocal optics and photonic time crystal design. However, conventional nonlinear materials exhibit inherent limitations in the post-fabrication tailoring of their nonlinear optical properties. Achieving real-time control over optical nonlinearities remains a challenge. In this work, we demonstrate a method to switch third harmonic generation (THG), a commonly occurring nonlinear optical response. Third harmonic generation enhancements up to 50 times are demonstrated in zinc oxide films via the photoexcited state generation and tunable electric field enhancement. More interestingly, the enhanced third harmonic generation follows a quadratic scaling with incident power, as opposed to the conventional cubic scaling, which demonstrates a previously unreported mechanism of third harmonic generation. The THG can also be suppressed by modulating the optical losses in the film. This work shows that the photoexcitation of states can not only enhance nonlinearities, but can create new processes for third harmonic generation. Importantly, the proposed method enables real-time manipulation of the nonlinear response of a medium. The process is switchable and reversible, with the modulations occurring at picosecond timescale. Our study paves the way to boost or suppress the nonlinearities of solid-state media, enabling robust, switchable sources for nonlinear optical applications.

We combine lossless, phase-only transformations with fully-transmitting linear-optical scatterers to define the principle of linear-optical phase amplification. This enables a physical phase shift $\phi$ to be nonlinearly mapped to a new space $\gamma(\phi)$ using linear optics, resulting in a completely general and enhanced phase shifter that can replace any standard one. A particular phase amplifier is experimentally realized, allowing the phase enhancement parameter $d\gamma/d\phi$ to be continuously tuned. Placing this enhanced phase shifter in one arm of a Mach-Zehnder interferometer led to an intensity-phase slope more than twenty times steeper than what can be obtained with its unamplified counterpart.

In this study, we conduct 2D3V Particle-In-Cell simulations of hollow cathodes, encompassing both the channel and plume region, with an emphasis on plasma switch applications. The plasma in the hollow cathode channel can exhibit kinetic effects depending on how fast electrons emitted from the insert are thermalized via Coulomb collisions. The criterion that determines whether the plasma operates in a Duid or kinetic regime is given as follows. When Coulomb collisions occur at a much greater rate than ionization or excitation events, the Electron Energy Distribution Function relaxes to aMaxwellian distribution and the plasmawithin the channel can be describedwith aDuidmodel. In contrast, if inelastic processes are much faster, then the Electron Energy Distribution Function in the channel exhibits a notable high-energy tail, and a kinetic treatment is required. This criterion is applied to other kinds of hollow cathodes from the literature, revealing that a Duid approach is suitable for most electric propulsion applications, whereas a kinetic treatment might be necessary for plasma switches. Additionally, amomentumbalance reveals that a diffusion equation is sufAcient to predict the plasma plume expansion, a crucial input in the design of hollow cathodes for plasma switch applications.

A physical and numerical model of the Townsend discharge in molecular hydrogen and deuterium has been developed to meet the needs of designing a plasma-based switching device for power grid application. The model allows to predict the low-pressure branch of the Paschen curve for applied voltage in the range of several hundred kiloVolts. In the regime of interest, electrons are in a runaway state and ionization by ions and fast neutrals sustains the discharge. It was essential to correctly account for both gas-phase and surface interactions (electron emission and electron back-scattering), especially in terms of their dependence on particle energy. The model yields results consistent with prior data obtained for lower voltage. The three-species (electrons, ions and fast neutrals) model successfully captures the essential physics of the process., Comment: 21 pages, 13 figures

Recent experiments demonstrate precise control over coherently excited phonon modes using high-intensity terahertz lasers, opening new pathways towards dynamical, ultrafast design of magnetism in functional materials. In this work, we put forward a coupling mechanism based on electron-nuclear quantum geometry. This effect is rooted in the phase accumulation of the electronic wavefunction under a circular evolution of nuclear coordinates. An excitation pulse then induces a transient level splitting between electronic orbitals that carry angular momentum. When converted to effective magnetic fields, values on the order of tens of Teslas are easily reached., Comment: 6 pages, 3 figures, supplementary information

Superconductivity and magnetism are competing effects that can coexist in certain regimes. Their co-existence leads to unexpected new behaviors that include the onset of exotic electron pair mechanisms and topological phases. In this work, we study the properties of a Josephson junction between two spin-split superconductors. The spin-splitting in the superconductors can arise from either the coupling to a ferromagnetic material or an external magnetic field. The properties of the junction are dominated by the Andreev bound states that are also split. One of these states can cross the superconductor's Fermi level, leading to a ground state transition characterized by a suppressed supercurrent. We interpret the supercurrent blockade as coming from a dominance of p-wave pairing close to the junction, where electrons at both sides of the junction pair. To support this interpretation, we analyze the different pairing channels and show that p-wave pairing is favored in the case where the magnetization of the two superconductors is parallel and suppressed in the anti-parallel case. We also analyze the noise spectrum that shows signatures of the ground state transition in the form of an elevated zero-frequency noise., Comment: 6 figures, 16 pages. Article submitted to an Special Issue in honor of Alexander Andreev

A short essay presenting the State-Effect Interpretation of natural deduction rules as an explanatory framework for recent developments in proof-theoretic semantics., Comment: Submitted to 'Logic and Philosophy: Historical and Contemporary Issues Conference'

The general circulation of the atmosphere (GCA) carries out a constant and unidirectional transfer of air masses, therefore its influence is manifested in the distribution of precipitation around the globe due to the occurrence of rain shadow behind mountain barriers. Over the territory of Russia, GCA manifests itself in the form of westerly winds, which cause a decrease in precipitation on the leeward side of the Ural Mountains and the Central Siberian Plateau. The contribution of the orographic component to the spatial variability of precipitation on average reaches 50-60% of the monthly precipitation amounts. Forecasting the magnitude of the orographic effect is close to predicting the transfer rates in GCA, the measurement of which has not yet been satisfactorily provided. A possible promising way to solve the problem is to develop special algorithms similar to those used for detecting Madden-Julian oscillations., Comment: 8 pages, 7 figures

We prove that for every normal topological space $X$ and any function $f: X \to \mathbb{R}$ there is a continuous function $g : X \to \mathbb{R}$ such that $$|f(x) - g(x)| \leq \frac{1}{2} \sup\limits_{p \in X} \inf\limits_{O(p)} \sup\limits_{a,b \in O(p)} |f(a) - f(b)|$$ for all $x \in X$. As an application of this result we prove the following statements to types of tightness in a space $Q_p(X, \mathbb{R})$ of all quasicontinuous real-valued functions with the topology $\tau_p$ of pointwise convergence: the countability of tightness (fan-tightness, strong fan-tightness) at a point $f$ of space $Q_p(X, \mathbb{R})$ implies the countability of tightness (fan-tightness, strong fan-tightness) of space $Q_p(X,Y)$ of all quasicontinuous functions from $X$ into any non-one-point metrizable space $Y$. This result is the answer to the open question in the class of metrizable spaces., Comment: 15 pages

It is well-known that a formal deformation of a commutative algebra ${\mathcal A}$ leads to a Poisson bracket on ${\mathcal A}$ and that the classical limit of a derivation on the deformation leads to a derivation on ${\mathcal A}$, which is Hamiltonian with respect to the Poisson bracket. In this paper we present a generalisation of it for formal deformations of an arbitrary noncommutative algebra ${\mathcal A}$. The deformation leads in this case to a Poisson algebra structure on $\Pi({\mathcal A}):=Z({\mathcal A})\times({\mathcal A}/Z({\mathcal A}))$ and to the structure of a $\Pi({\mathcal A})$-Poisson module on ${\mathcal A}$. The limiting derivations are then still derivations of ${\mathcal A}$, but with the Hamiltonian belong to $\Pi({\mathcal A})$, rather than to ${\mathcal A}$. We illustrate our construction with several cases of formal deformations, coming from known quantum algebras, such as the ones associated with the nonabelian Volterra chains, Kontsevich integrable map, the quantum plane and the quantised Grassmann algebra.

A study of damage and ablation of silicon induced by two individual femtosecond laser pulses of different wavelengths, 1030 and 515 nm, is performed to address the physical mechanisms of dual-wavelength ablation and reveal possibilities for increasing the ablation efficiency. The produced ablation craters and damaged areas are analyzed as a function of time separation between the pulses and are compared with monochromatic pulses of the same total energy. Particular attention is given to low-fluence irradiation regimes when the energy densities in each pulse are below the ablation threshold and thus no shielding of the subsequent pulse by the ablation products occurs. The sequence order of pulses is demonstrated to be essential in bi-color ablation with higher material removal rates when a shorter-wavelength pulse arrives first at the surface. At long delays of 30-100 ps, the dual-wavelength ablation is found to be particularly strong with the formation of deep smooth craters. This is explained by the expansion of a hot liquid layer produced by the first pulse with a drastic decrease in the surface reflectivity at this timescale. The results provide insight into the processes of dual-wavelength laser ablation offering a better control of the energy deposition into material., Comment: 8 pages, 4 figures

In systems modelling, a system typically comprises located resources relative to which processes execute. One important use of logic in informatics is in modelling such systems for the purpose of reasoning (perhaps automated) about their behaviour and properties. To this end, one requires an interpretation of logical formulae in terms of the resources and states of the system; such an interpretation is called a resource semantics of the logic. This paper shows how inferentialism -- the view that meaning is given in terms of inferential behaviour -- enables a versatile and expressive framework for resource semantics. Specifically, how inferentialism seamlessly incorporates the assertion-based approach of the logic of Bunched Implications, foundational in program verification (e.g., as the basis of Separation Logic), and the renowned number-of-uses reading of Linear Logic. This integration enables reasoning about shared and separated resources in intuitive and familiar ways, as well as about the composition and interfacing of system components.

Holographic principles have proven to be a very interesting approach towards dealing with the issues of the late-time acceleration of the universe, which has resulted in a great amount of work on holographic dark energy models. We consider one such very interesting holographic scenario, namely the Tsallis Holographic dark energy model and consider an ansatz based approach to such models. We consider three cosmological scenarios in such models, namely those with viscous , non-viscous and Chaplygin gas scenarios, discussing various crucial aspects related to these models. We discuss various crucial properties of the Tsallis model in such scenarios and see how the phantom divide is crossed in each case, but it's only the Chaplygin gas models which give a better view on stability issues., Comment: 20 pages with 13 figures, comments very welcome !

The work includes a brief overview of the applications of the powerful and easy-to-perform method of Microwave Radiometry (MWR) for the diagnosis of various diseases. The main goal of this paper is to develop a method for diagnosing breast oncology based on machine learning algorithms using thermometric data, both real medical measurements and simulation results of MWR examinations. The dataset includes distributions of deep and skin temperatures calculated in numerical models of the dynamics of thermal and radiation fields inside a biological tissue. The constructed combined dataset allows us to explore the limits of applicability of the MWR method for detecting weak tumors. We use convolutional neural networks and classic machine learning algorithms (k-nearest neighbors, naive Bayes classifier, support vector machine) to classify data. The construction of Kohonen self-organizing maps to explore the structure of our combined dataset demonstrated differences between the temperatures of patients with positive and negative diagnoses. Our analysis shows that the MWR can detect tumors with a radius of up to 0.5 cm if they are at the stage of rapid growth, when the tumor volume doubling occurs in approximately 100 days or less. The use of convolutional neural networks for MWR provides both high sensitivity ($sens=0.86$) and specificity ($spec=0.82$), which is an advantage over other methods for diagnosing breast cancer. New modified scheme for medical measurements of IR temperature and brightness temperature is proposed for a larger number of points in the breast compared to the classical scheme. This approach can increase the effectiveness and sensitivity of diagnostics by several percent.

We investigate the topological superconductor candidate UTe$_2$ using high-resolution valence-band resonant inelastic x-ray scattering at the U $M_{4,5}$-edges. We observe atomic-like low-energy excitations that support the correlated nature of this unconventional superconductor. These excitations originate from the U $5f^2$ configuration, which is unexpected since the short Te2-Te2 distances exclude Te2 being 2-. By utilizing the photoionization cross-section dependence of the photoemission spectra in combination with band structure calculations, we infer that the stabilization of the U $5f^2$ configuration is due to the U $6d$ bonding states in the U-dimers acting as a charge reservoir. Our results emphasize that the description of the physical properties should commence with a $5f^2$ $ansatz$., Comment: 9 pages, 5 figures, article