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Noncollinear magnets are notoriously difficult to describe within first-principles approaches based on density-functional theory (DFT) because of the presence of low-lying spin excitations. At the level of ground-state calculations, several methods exist to constrain the magnetic moments to a predetermined configuration, and thereby accelerate convergence towards self-consistency. Their use in a perturbative context, however, remains very limited. Here we present a general methodological framework to achieve parametric control over the local spin moments at the linear-response level. Our strategy builds on the concept of Legendre transform to switch between various flavors of magnetic functionals, and to relate their second derivatives via simple linear-algebra operations. Thereby, we can address an arbitrary response function at the time-dependent DFT level of theory with optimal accuracy and minimal computational effort. In the low frequency limit, we identify the leading correction to the existing adiabatic formulation of the problem [S. Ren \emph{et al.}, Phys. Rev. X {\bf 14}, 011041 (2024)], consisting in a renormalization of the phonon and magnon masses due to electron inertia. As a demonstration, we apply our methodology to the study of the THz optical response in bulk CrI$_3$, where we identify a hybrid electromagnon with mixed spin-lattice character.

The attainment of accurate numerical solutions of ill-conditioned linear algebraic problems involving totally positive matrices has been gathering considerable attention among researchers over the last years. In parallel, the interest of $q$-calculus has been steadily growing in the literature. In this work the $q$-analogue of the Abel polynomial basis is studied. The total positivity of the matrix of change of basis between monomial and $q$-Abel bases is characterized, providing its bidiagonal factorization. Moreover, well-known high relative accuracy results of Vandermonde matrices corresponding to increasing positive nodes are extended to the decreasing negative case. This further allows to solve with high relative accuracy several algebraic problems concerning collocation, Wronskian and Gramian matrices of $q$-Abel polynomials. Finally, a series of numerical tests support the presented theoretical results and illustrate the goodness of the method where standard approaches fail to deliver accurate solutions.

Ultrasound follicle tracking is an important part of cycle monitoring. OSIS Ovary (Online System for Image Segmentation for the Ovary) has been conceived aiming to aid the management of the workflow in follicle tracking, one of the most iterative procedures in cycle monitoring during ovarian stimulation. In the present study, we compared OSIS Ovary (as three-dimensional ultrasound-based automated system) with the two-dimensional manual standard measurement method, in order to assess the reliability of the main measurements obtained to track follicle growth during ovarian stimulation cycles, the follicle size and count. Based on the mean follicle diameter and follicle count values obtained, the Pearson/intraclass correlation coefficients were 0.976/0.987 and 0.804/0.889 in >=10mm follicles, 0.989/0.994 and 0.809/0.867 in >=13mm follicles and 0.995/0.997 and 0.791/0.840 in >=16mm follicles. The mean difference (MnD) for the mean diameter and follicle count was, respectively, 0.759/0.161 in >=10mm follicles, 0.486/1.033 in >=13mm follicles and 0.784/0.486 in >=16mm follicles. The upper and lower limits of agreement (ULA and LLA) were 3.641/2.123 and 5.392/3.070 in >=10mm follicles, 3.496/2.522 and 4.285/2.218 in >=13mm follicles, and 3.723/2.153 and 2.432/1.459 in >=16mm follicles. The limits of agreement range (LoAR) were 5.764/8.462 in >=10mm follicles, 6.048/6.503 in >=13mm follicles and 5.876/3.891 in >=16mm follicles. P<0.05 was considered for all calculations. As three-dimensional ultrasound-based automated system in comparison with two-dimensional manual method standard, we found OSIS Ovary as a reliable tool to track follicle growth during ovarian stimulation cycles, Comment: 21 pages, 4 figures, 2 tables

In this paper, we propose and analyze two different stream ciphers based on a Skew Tent Map and a Modified Logistic Map respectively. In order to improve the randomness of these systems, a single method for increasing the period length of the generated sequences has been applied. The results prove that the randomness of these systems can be severally increased by using this method, making these systems suitable for secure communications., Comment: Proceedings of 2016 12th Conference on Ph.D. Research in Microelectronics and Electronics (PRIME)

In recent years many efforts have been devoted to finding bidiagonal factorizations of nonsingular totally positive matrices, since their accurate computation allows to numerically solve several important algebraic problems with great precision, even for large ill-conditioned matrices. In this framework, the present work provides the factorization of the collocation matrices of Newton bases -- of relevance when considering the Lagrange interpolation problem -- together with an algorithm that allows to numerically compute it to high relative accuracy. This further allows to determine the coefficients of the interpolating polynomial and to compute the singular values and the inverse of the collocation matrix. Conditions that guarantee high relative accuracy for these methods and, in the former case, for the classical recursion formula of divided differences, are determined. Numerical errors due to imprecise computer arithmetic or perturbed input data in the computation of the factorization are analyzed. Finally, numerical experiments illustrate the accuracy and effectiveness of the proposed methods with several algebraic problems, in stark contrast with traditional approaches., Comment: Numer Algor (2024)

Enabling on-demand control of heat flow is key for the development of next-generation electronic devices, solid-state heat pumps, and thermal logic. However, precise and agile tuning of the relevant microscopic material parameters for adjusting thermal conductivities remains elusive. Here, we study several single crystals of lanthanum aluminate (LaAlO$_{3}$) with different domain structures and show that ferroelastic domain walls behave as boundaries that act like efficient controllers to govern thermal conductivity. At low temperature (3 K), we demonstrate a fivefold reduction in thermal conductivity induced by domain walls orthogonal to the heat flow and a twofold reduction when they are parallel to the heat flow. Atomistic calculations fully support this experimental observation. By breaking down phonon scattering mechanisms, we also analyze the temperature dependence of the thermal conductivity to derive a quantitative relation between thermal conductivity variations and domain wall organization and density.

Starting with a manifold $M$ and a semi-free action of $S^3$ on it, we have the Smith-Gysin sequence: $$ \cdots \to H^{*}( M) \to H^{*-3}(M/S^3, M^{S^3}) \oplus H^{*} (M^{S^3}) \to H^{*+1}(M/S^3, M^{S^3}) \to H^{*+1}(M) \to \cdots $$ In this paper, we construct a Smith-Gysin sequence that does not require the semi-free condition. This sequence includes a new term, referred to as the "exotic term," which depends on the subset $M^{S^1}$: $$ \cdots \to H^{*}(M) \to H^{*-3} (M/S^3, \Sigma/S^3) \oplus H^{*}(M^{S^3}) \oplus \left( H^{*-2}(M^{S^1})\right)^{-\mathbb{Z}_2} \to H^{*+1}(M/S^3,M^{S^3}) \to H^{*+1}(M) \to \cdots $$ Here, $\Sigma \subset M$ is the subset of points in $M$ whose isotropy groups are infinite. The group $\mathbb{Z}_2$ acts on $M^{S^1}$ by $j \in S^3$., Comment: We have changed the abstrast, which was unreadable

The Hard Lefschetz Property (HLP) has recently been formulated in the context of isometric flows without singularities on manifolds. In this category, two versions of the HLP (transverse and not) have been proven to be equivalent, thus generalizing what happens in the important cases of both K-contact and Sasakian manifolds. In this work we define both versions of the HLP for almost-free S3 -actions, and prove that they agree for actions satisfying a cohomological condition, which includes the important category of 3-Sasakian manifolds, where those two versions of the HLP are shown to be held. We also provide a family of examples of free actions of the 3-sphere which are not 3-Sasakian manifolds, but satisfy the HLP., Comment: 8 pages

Time-resolved illumination provides rich spatio-temporal information for applications such as accurate depth sensing or hidden geometry reconstruction, becoming a useful asset for prototyping and as input for data-driven approaches. However, time-resolved illumination measurements are high-dimensional and have a low signal-to-noise ratio, hampering their applicability in real scenarios. We propose a novel method to compactly represent time-resolved illumination using mixtures of exponentially-modified Gaussians that are robust to noise and preserve structural information. Our method yields representations two orders of magnitude smaller than discretized data, providing consistent results in applications such as hidden scene reconstruction and depth estimation, and quantitative improvements over previous approaches.

Non-line-of-sight (NLOS) imaging methods are capable of reconstructing complex scenes that are not visible to an observer using indirect illumination. However, they assume only third-bounce illumination, so they are currently limited to single-corner configurations, and present limited visibility when imaging surfaces at certain orientations. To reason about and tackle these limitations, we make the key observation that planar diffuse surfaces behave specularly at wavelengths used in the computational wave-based NLOS imaging domain. We call such surfaces virtual mirrors. We leverage this observation to expand the capabilities of NLOS imaging using illumination beyond the third bounce, addressing two problems: imaging single-corner objects at limited visibility angles, and imaging objects hidden behind two corners. To image objects at limited visibility angles, we first analyze the reflections of the known illuminated point on surfaces of the scene as an estimator of the position and orientation of objects with limited visibility. We then image those limited visibility objects by computationally building secondary apertures at other surfaces that observe the target object from a direct visibility perspective. Beyond single-corner NLOS imaging, we exploit the specular behavior of virtual mirrors to image objects hidden behind a second corner by imaging the space behind such virtual mirrors, where the mirror image of objects hidden around two corners is formed. No specular surfaces were involved in the making of this paper.

We predict a large in-plane polarization response to bending in a broad class of trigonal two-dimensional crystals. We define and compute the relevant flexoelectric coefficients from first principles as linear-response properties of the undistorted layer, by using the primitive crystal cell. The ensuing response (evaluated for SnS$_{2}$, silicene, phosphorene and RhI$_{3}$ monolayers and for a hexagonal BN bilayer) is up to one order of magnitude larger than the out-of-plane components in the same material. We illustrate the topological implications of our findings by calculating the polarization textures that are associated with a variety of rippled and bent structures. We also determine the longitudinal electric fields induced by a flexural phonon at leading order in amplitude and momentum.

Robots deployed to the real world must be able to interact with other agents in their environment. Dynamic game theory provides a powerful mathematical framework for modeling scenarios in which agents have individual objectives and interactions evolve over time. However, a key limitation of such techniques is that they require a-priori knowledge of all players' objectives. In this work, we address this issue by proposing a novel method for learning players' objectives in continuous dynamic games from noise-corrupted, partial state observations. Our approach learns objectives by coupling the estimation of unknown cost parameters of each player with inference of unobserved states and inputs through Nash equilibrium constraints. By coupling past state estimates with future state predictions, our approach is amenable to simultaneous online learning and prediction in receding horizon fashion. We demonstrate our method in several simulated traffic scenarios in which we recover players' preferences for, e.g., desired travel speed and collision-avoidance behavior. Results show that our method reliably estimates game-theoretic models from noise-corrupted data that closely matches ground-truth objectives, consistently outperforming state-of-the-art approaches., Comment: arXiv admin note: text overlap with arXiv:2106.03611

Given a smooth action of the sphere $\mathbb S^3$ on a manifold $M$, we have previously constructed a Gysin sequence relating the cohomology of the manifold $M$ and that of the orbit space $M/\mathbb S^3$. This sequence involves an exotic term depending on the subset $M^{\mathbb S^1}$. Notice that the orbit space is a stratified pseudomanifold, a kind of singular spaces where intersection cohomology applies. In the case where the the action is semi-free, the first author has already constructed a Gysin sequence relating the cohomology of $M$ and the intersection cohomology of $M/\mathbb S^3$. What happens if the action is not semi-free? This is the goal of this work. The situation is more complicated and we do not find a Gysin sequence but a Gysin braid relating the cohomology of $M$ and the intersection cohomology of $M/\mathbb S^3$. This braid also contains an exotic term depending this time on the intersection cohomology of $M^{\mathbb S^1}$.

The Observatorio Astrof\'isico de Javalambre (OAJ{\dag}1) in Spain is a young astronomical facility, conceived and developed from the beginning as a fully automated observatory with the main goal of optimizing the processes in the scientific and general operation of the Observatory. The OAJ has been particularly conceived for carrying out large sky surveys with two unprecedented telescopes of unusually large fields of view (FoV): the JST/T250, a 2.55m telescope of 3deg field of view, and the JAST/T80, an 83cm telescope of 2deg field of view. The most immediate objective of the two telescopes for the next years is carrying out two unique photometric surveys of several thousands square degrees, J-PAS{\dag}2 and J-PLUS{\dag}3, each of them with a wide range of scientific applications, like e.g. large structure cosmology and Dark Energy, galaxy evolution, supernovae, Milky Way structure, exoplanets, among many others. To do that, JST and JAST are equipped with panoramic cameras under development within the J-PAS collaboration, JPCam and T80Cam respectively, which make use of large format (~ 10k x 10k) CCDs covering the entire focal plane. This paper describes in detail, from operations point of view, a comparison between the detailed cost of the global automation of the Observatory and the standard automation cost for astronomical facilities, in reference to the total investment and highlighting all benefits obtained from this approach and difficulties encountered. The paper also describes the engineering development of the overall facilities and infrastructures for the fully automated observatory and a global overview of current status, pinpointing lessons learned in order to boost observatory operations performance, achieving scientific targets, maintaining quality requirements, but also minimizing operation cost and human resources., Comment: Global Observatory Control System GOCS

Ancient solutions of the Ricci flow arise naturally as models for singularity formation. There has been significant progress towards the classification of such solutions under natural geometric assumptions. Nonnegatively curved solutions in dimensions 2 and 3, and uniformly PIC solutions in higher dimensions are now well understood. We consider ancient solutions of arbitrary dimension which are complete and have Type~I curvature growth. We show that a $\kappa$-noncollapsed Type~I ancient solution which is noncompact and has nonnegative sectional curvature necessarily splits at least one Euclidean factor. It follows that a $\kappa$-noncollapsed Type~I ancient solution which is weakly PIC2 is a locally symmetric space.

The sensitivity of the rare decays $\eta^{(\prime)}\to\pi^{0}\gamma\gamma$ and $\eta^{\prime}\to\eta\gamma\gamma$ to signatures of a leptophobic $B$ boson in the MeV-GeV mass range is analyzed in this work. By adding an explicit $B$-boson resonance exchange, $\eta\to B\gamma\to\pi^{0}\gamma\gamma$, to the Standard Model contributions from vector and scalar meson exchanges, and employing experimental data for the associated branching ratios, it allows us to improve the current constraints on the $B$-boson mass $m_{B}$ and coupling to Standard Model particles $\alpha_{B}$. From these constraints and the analysis of the available experimental $\gamma\gamma$ invariant mass distribution, we show that a $B$-boson signature in the resonant mass range $m_{\pi^{0}}\lesssim m_{B}\lesssim m_{\eta}$ is strongly suppressed and would be very difficult to experimentally identify, assuming that the leptophobic $B$ boson only decays to Standard Model particles. In contrast, the limits outside this mass window are less stringent and the corresponding $t$- and $u$-channel signatures may still be observable in the data, as it occurs with the nonresonant Standard Model $\rho$, $\omega$ and $\phi$ meson exchanges. In addition, we make use of experimental data from the $\eta^{\prime}\to\pi^{0}\gamma\gamma$ and $\eta^{\prime}\to\eta\gamma\gamma$ decays to explore larger $B$-boson masses. Our results are relevant for the $B$-boson search programs at existing and forthcoming light-meson facilities, such as KLOE(-II) and Jefferson Lab Eta Factory experiments., Comment: 15 pages, 12 figures, 1 table; v2 includes a discussion of the uncertainty of the Standard Model estimate and an improvement in the overall presentation

Charge transport plays a crucial role in manifold potential applications of two-dimensional materials, including field effect transistors, solar cells, and transparent conductors. At most operating temperatures, charge transport is hindered by scattering of carriers by lattice vibrations. Assessing the intrinsic phonon-limited carrier mobility is thus of paramount importance to identify promising candidates for next-generation devices. Here we provide a framework to efficiently compute the drift and Hall carrier mobility of two-dimensional materials through the Boltzmann transport equation by relying on a Fourier-Wannier interpolation. Building on a recent formulation of long-range contributions to dynamical matrices and phonon dispersions [Phys. Rev. X 11, 041027 (2021)], we extend the approach to electron-phonon coupling including the effect of dynamical dipoles and quadrupoles. We identify an unprecedented contribution associated with the Berry connection that is crucial to preserve the Wannier-gauge covariance of the theory. This contribution is not specific to 2D crystals, but also concerns the 3D case, as we demonstrate via an application to bulk SrO. We showcase our method on a wide selection of relevant monolayers ranging from SnS2 to MoS2, graphene, BN, InSe, and phosphorene. We also discover a non-trivial temperature evolution of the Hall hole mobility in InSe whereby the mobility increases with temperature above 150 K due to the mexican-hat electronic structure of the InSe valence bands. Overall, we find that dynamical quadrupoles are essential and can impact the carrier mobility in excess of 75%., Comment: 31 pages and 16 figures

Despite considerable efforts, accurate computations of electron-phonon and carrier transport properties of low-dimensional materials from first principles have remained elusive. By building on recent advances in the description of long-range electrostatics, we develop a general approach to the calculation of electron-phonon couplings in two-dimensional materials. We show that the nonanalytic behavior of the electron-phonon matrix elements depends on the Wannier gauge, but that a missing Berry connection restores invariance to quadrupolar order. We showcase these contributions in a MoS$_2$ monolayer, calculating intrinsic drift and Hall mobilities with precise Wannier interpolations. We also find that the contributions of dynamical quadrupoles to the scattering potential are essential, and that their neglect leads to errors of 23% and 76% in the room temperature electron and hole Hall mobilities, respectively., Comment: 6 pages and 2 figures

The study of two-dimensional (2D) van der Waals materials has been an active field of research in the development of new optoelectronics and photonic applications over the last decade. Organic-inorganic layered perovskites are currently some of the most promising 2D van der Waals materials, due to their exceptional optical brightness and enhanced excitonic effects. However, low crystal quality and spectral diffusion usually broaden the exciton linewidth, obscuring the fine structure of the exciton in conventional photoluminescence experiments. Here, we propose a mechanical approach for reducing the effect of spectral diffusion by means of hBN-capping on layered perovskites with different thicknesses, revealing the exciton fine structure. We used a stochastic model to link the reduction of the spectral linewidth with the population of active charge fluctuation centres present in the organic spacer taking part in the dynamical Stark shift. Active fluctuation centres are reduced by a factor of 3.7 to 7.1 when we include hBN-capping according to our direct spectral measurements. This rate is in good agreement with the analysis of the overlap between the squared perovskite lattice and the hexagonal hBN lattice. Van der Waals forces between both lattices cause the partial clamping of the perovskite organic spacer molecules, and hence, the amplitude of the dynamical Stark shift characteristic of the spectral diffusion effect is reduced. Our work provides an easy and low-cost solution to the problem of accessing important fine-structure excitonic state information, along with an explanation of the important carrier dynamics present in the organic spacer that affect the quality of the optical emission.

Two-dimensional (2D) van der Waals nanomaterials have attracted considerable attention for potential use in photonic and optoelectronic applications in the nanoscale, due to their outstanding electrical and optical properties, differing from their bulk state. Currently, 2D perovskite belonging to this group of nanomaterials is widely studied for a wide range of optoelectronic applications. Thanks to their excitonic properties, 2D perovskites are also promising materials for photonics and nonlinear devices working at room temperature. Nevertheless, strong excitonic effects can reduce the photocurrent characteristics when using thinner perovskites phases. In this work, we present solid experimental evidence for the presence of single donor-acceptor pair optical transitions in 2D Lead Halide Perovskites, characterized by sub meV linewidths ($\simeq 120 \mu eV$) and long decay times (5-8 ns). Micro-photoluminescence evidence is supported by detailed Photoemission measurements, and a model simulation. The association of Phenethylammonium with Methylammonium cations, the latter molecule being only present in 2D Halide Perovskites with thicker phases $n \geq 2$, has been identified as the source of the donor-acceptor pair formation, corresponding to the displacement of lead atoms and their replacement by methylamonium. Our seminal study of discrete Donor-Acceptor Pair (DAP) sharp and bright optical transitions in 2D Lead Halide Perovskites opens new routes to implement DAP as the carrier sources for novel designs of optoelectronic devices with 2D perovskites, and will foster the development of future outstanding properties in non-linear quantum technologies.