Miracle-dz/UniFAR-FTUs huggingface dataset:
Tuning of the electronic and optical properties of single-layer black phosphorus by strain

Using first principles calculations we showed that the electronic and optical properties of single-layer black phosphorus (BP) depend strongly on the applied strain. Due to the strong anisotropic atomic structure of BP, its electronic conductivity and optical response are sensitive to the magnitude and the orientation of the applied strain. We found that the inclusion of many body effects is essential for the correct description of the electronic properties of monolayer BP; for example, while the electronic gap of strainless BP is found to be 0.90 eV by using semilocal functionals, it becomes 2.31 eV when many-body effects are taken into account within the G0W0 scheme. Applied tensile strain was shown to significantly enhance electron transport along zigzag direction of BP. Furthermore, biaxial strain is able to tune the optical band gap of monolayer BP from 0.38 eV (at −8% strain) to 2.07 eV (at 5.5%). The exciton binding energy is also sensitive to the magnitude of the applied strain. It is found to be 0.40 eV for compressive biaxial strain of −8%, and it becomes 0.83 eV for tensile strain of 4%. Our calculations demonstrate that the optical response of BP can be significantly tuned using strain engineering which appears as a promising way to design novel photovoltaic devices that capture a broad range of solar spectrum.
Photometric characterization of exoplanets using angular and spectral differential imaging

In recent years, there has been intensive research into the direct detection of exoplanets. Data obtained in the future with high-contrast imaging instruments, optimized for the direct detection of giant planets, may be strongly limited by speckle noise. Specific observing strategies and data analysis methods, such as angular and spectral differential imaging, are required to attenuate the noise level and possibly to detect the flux of faint planets. Even though these methods are very efficient at suppressing the speckles, the photometry of faint planets is dominated by the speckle residuals. The determination of the effective temperature and surface gravity of the detected planets from photometric measurements in different bands is then limited by the photometric error on the planet flux. In this paper, we investigate this photometric error and the consequences on the determination of the physical parameters of the detected planets. We perform detailed end-to-end simulation with the CAOS-based software package for spectro-polarimetric high-contrast exoplanet research (SPHERE) to obtain realistic data representing typical observing sequences in the Y, J, H and K s bands with a high-contrast imager. The simulated data are used to measure the photometric accuracy as a function of contrast for planets detected with angular and spectral+angular differential methods. We apply this empirical accuracy to study the characterization capabilities of a high-contrast differential imager. We show that the expected photometric performances will allow the detection and characterization of exoplanets down to a Jupiter mass at angular separations of 1.0 and 0.2 arcsec, respectively, around high-mass and low-mass stars with two observations in different filter pairs. We also show that the determination of the physical parameters of the planets from photometric measurements in different filter pairs is essentially limited by the error on the determination of the surface gravity.
Finite speed heat transport in a quantum spin chain after quenched local cooling

We study the dynamics of an initially thermalized spin chain in the quantum XY-model, after sudden coupling to a heat bath of lower temperature at one end of the chain. In the semi-classical limit we see an exponential decay of the system-bath heatflux by exact solution of the reduced dynamics. In the full quantum description however, we numerically find the heatflux to reach intermediate plateaus where it is approximately constant—a phenomenon that we attribute to the finite speed of heat transport via spin waves.
Homology of dendroidal sets

We define for every dendroidal set X a chain complex and show that this assignment determines a left Quillen functor. Then we define the homology groups $H_n(X)$ as the homology groups of this chain complex. This generalizes the homology of simplicial sets. Our main result is that the homology of X is isomorphic to the homology of the associated spectrum K(X) as discussed in earlier work of the authors. Since these homology groups are sometimes computable we can identify some spectra K(X) which we could not identify before.
Tomography and weak lensing statistics

We provide generic predictions for the lower order cumulants of weak lensing maps, and their correlators for tomographic bins as well as in three dimensions (3D). Using small-angle approximation, we derive the corresponding one- and two-point probability distribution function for the tomographic maps from different bins and for 3D convergence maps. The modelling of weak lensing statistics is obtained by adopting a detailed prescription for the underlying density contrast that involves hierarchal ansatz and lognormal distribution. We study the dependence of our results on cosmological parameters and source distributions corresponding to the realistic surveys such as LSST and DES. We briefly outline how photometric redshift information can be incorporated in our results. We also show how topological properties of convergence maps can be quantified using our results.
Real-Space Analysis of Scanning Tunneling Microscopy Topography Datasets Using Sparse Modeling Approach

A sparse modeling approach is proposed for analyzing scanning tunneling microscopy topography data, which contain numerous peaks originating from the electron density of surface atoms and/or impurities. The method, based on the relevance vector machine with L1 regularization and k-means clustering, enables separation of the peaks and peak center positioning with accuracy beyond the resolution of the measurement grid. The validity and efficiency of the proposed method are demonstrated using synthetic data in comparison with the conventional least-squares method. An application of the proposed method to experimental data of a metallic oxide thin-film clearly indicates the existence of defects and corresponding local lattice distortions.
Efficient distributed quantum computing

We provide algorithms for efficiently moving and addressing quantum memory in parallel. These imply that the standard circuit model can be simulated with a low overhead by a more realistic model of a distributed quantum computer. As a result, the circuit model can be used by algorithm designers without worrying whether the underlying architecture supports the connectivity of the circuit. In addition, we apply our results to existing memory-intensive quantum algorithms. We present a parallel quantum search algorithm and improve the time–space trade-off for the element distinctness and collision finding problems.
EFFECT OF MASKED REGIONS ON WEAK-LENSING STATISTICS

Sky masking is unavoidable in wide-field weak-lensing observations. We study how masks affect the measurement of statistics of matter distribution probed by weak gravitational lensing. We first use 1000 cosmological ray-tracing simulations to examine in detail the impact of masked regions on the weak-lensing Minkowski Functionals (MFs). We consider actual sky masks used for a Subaru Suprime-Cam imaging survey. The masks increase the variance of the convergence field and the expected values of the MFs are biased. The bias then compromises the non-Gaussian signals induced by the gravitational growth of structure. We then explore how masks affect cosmological parameter estimation. We calculate the cumulative signal-to-noise ratio (S/N) for masked maps to study the information content of lensing MFs. We show that the degradation of S/N for masked maps is mainly determined by the effective survey area. We also perform simple χ2 analysis to show the impact of lensing MF bias due to masked regions. Finally, we compare ray-tracing simulations with data from a Subaru 2 deg2 survey in order to address if the observed lensing MFs are consistent with those of the standard cosmology. The resulting χ2/ndof = 29.6/30 for three combined MFs, obtained with the mask effects taken into account, suggests that the observational data are indeed consistent with the standard ΛCDM model. We conclude that the lensing MFs are a powerful probe of cosmology only if mask effects are correctly taken into account.
Distribution of Squarefree Values of Sequences Associated with Elliptic Curves

Let E be a non-CM elliptic curve defined over Q.F or each prime p of good reduction, E reduces to a curve Ep over the finite field Fp . F or a given squarefree polynomial f (x, y), we examine the sequences fp(E) := f (ap(E) ,p ), whose values are associated with the reduction of E over Fp. We are particularly interested in two sequences: fp(E )= p +1 − ap(E )a nd fp(E )= ap(E) 2 − 4p. We present two results towards the goal of determining how often the values in a given sequence are squarefree. First, for any fixed curve E, we give an upper bound for the number of primes p up to X for which fp(E) is squarefree. Moreover, we show that the conjectural asymptotic for the prime counting function π SF (X) : =# {p ≤ X : fp(E )i s squarefree} is consistent with the asymptotic for the average over curves E in a suitable box.
SUBSTELLAR OBJECTS IN NEARBY YOUNG CLUSTERS (SONYC). II. THE BROWN DWARF POPULATION OF ρ OPHIUCHI

SONYC—Substellar Objects in Nearby Young Clusters—is a survey program to investigate the frequency and properties of brown dwarfs (BDs) down to masses below the deuterium-burning limit in nearby star-forming regions. In this second paper, we present results on the ∼1 Myr old cluster ρ Ophiuchi, combining our own deep optical- and near-infrared imaging using Subaru with photometry from the Two Micron All Sky Survey and the Spitzer Space Telescope. Of the candidates selected from iJKs photometry, we have confirmed three—including a new BD with a mass close to the deuterium limit—as likely cluster members through low-resolution infrared spectroscopy. We also identify 27 substellar candidates with mid-infrared excess consistent with disk emission, of which 16 are new and 11 are previously spectroscopically confirmed BDs. The high and variable extinction makes it difficult to obtain the complete substellar population in this region. However, current data suggest that its ratio of low-mass stars to BDs is similar to those reported for several other clusters, though higher than what was found for NGC 1333 in Scholz et al.
Evolution of thermally pulsing asymptotic giant branch stars - I. The COLIBRI code

We present the COLIBRI code for computing the evolution of stars along the TP-AGB phase. Compared to purely synthetic TP-AGB codes, COLIBRI relaxes a significant part of their analytic formalism in favour of a detailed physics applied to a complete envelope model, in which the stellar structure equations are integrated from the atmosphere down to the bottom of the hydrogen-burning shell. This allows to predict selfconsistently: (i) the effective temperature, and more generally the convective envelope and atmosphere structures, correctly coupled to the changes in the surface chemical abundances and gas opacities; (ii) the conditions under which sphericity effects may significantly affect the atmospheres of giant stars; (iii) the core mass-luminosity relation and its possible break-down due to the occurrence of hot bottom burning (HBB) in the most massive AGB stars, by taking properly into account the nuclear energy generation in the H-burning shell and in the deepest layers of the convective envelope; (iv) the HBB nucleosynthesis via the solution of a complete nuclear network (including the pp chains, and the CNO, NeNa, MgAl cycles) coupled to a diffusive description of mixing, suitable to follow also the synthesis of 7 Li via the Cameron-Fowler beryllium transport mechanism; (v) the intershell abundances left by each thermal pulse via the solution of a complete nuclear network applied to a simple model of the pulsedriven convective zone; (vi) the onset and quenching of the third dredge-up, with a temperature criterion that is applied, at each thermal pulse, to the result of envelope integrations at the stage of the post-flash luminosity peak. At the same time COLIBRI pioneers new techniques in the treatment of the physics of stellar interiors, not yet adopted in full TP-AGB models. It is the first evolutionary code ever to use accurate on-the-fly computation of the equation of state for roughly 800 atoms, ions, molecules, and of the Rosseland mean opacities throughout the atmosphere and the deep envelope. This ensures a complete consistency, step by step, of both EoS and opacity with the evolution of the chemical abundances caused by the third dredge-up and HBB. Another distinguishing aspect of COLIBRI is its high computational speed, that allows to generate complete grids of TP-AGB models in just a few hours. This feature is absolutely necessary for calibrating the many uncertain parameters and processes that characterize the TP-AGB phase. We illustrate the many unique features of COLIBRI by means of detailed evolutionary tracks computed for several choices of model parameters, including initial star masses, chemical abundances, nuclear reaction rates, efficiencyof the third dredge-up, overshooting at the base of the pulse-driven convection zone, etc. Future papers in this series will deal with the calibration of all these and other parameters using observational data of AGB stars in the Galaxy and in nearby systems, a step that is of paramount importance for producing reliable stellar population synthesis models of galaxies up to high redshift.
Evolutionary models of the optical component of the LMC X-1/Star 32 binary system

Calculations carried out to model the evolution of Star 32 under different assumptions about the stellar wind mass-loss rate provide robust limits on the present mass of the star. The obtained range is 31 to 35.5 M⊙, which is in very good agreement with the orbital solution of Orosz et al., namely 28.3 to 35.3 M⊙. The initial mass of Star 32 had to be in the range 35 to 40 M⊙, and the present age of the system is 3.7 to 4.0 Myr.
Discovering and Targeting Dynamic Drugging Pockets of Oncogenic Proteins: The Role of Magnesium in Conformational Changes of the G12D Mutated Kirsten Rat Sarcoma-Guanosine Diphosphate Complex

KRAS-G12D mutations are the one of most frequent oncogenic drivers in human cancers. Unfortunately, no therapeutic agent directly targeting KRAS-G12D has been clinically approved yet, with such mutated species remaining undrugged. Notably, cofactor Mg2+ is closely related to the function of small GTPases, but no investigation has been conducted yet on Mg2+ when associated with KRAS. Herein, through microsecond scale molecular dynamics simulations, we found that Mg2+ plays a crucial role in the conformational changes of the KRAS-GDP complex. We located two brand new druggable dynamic pockets exclusive to KRAS-G12D. Using the structural characteristics of these two dynamic pockets, we designed in silico the inhibitor DBD15-21-22, which can specifically and tightly target the KRAS-G12D-GDP-Mg2+ ternary complex. Overall, we provide two brand new druggable pockets located on KRAS-G12D and suitable strategies for its inhibition.
The intrinsic dispersion in the Faber-Jackson relation for early-type galaxies as function of the mass and redshift

Context. It has been reported that the intrinsic dispersion at constant magnitude in the structural relations of early-type galaxies is a useful tool to study the universality of these structural relations, that is to say, to study whether the structural relations depend on luminosity, wavelength, redshift, and/or environment. Aims. We study the intrinsic dispersion at approximately constant magnitude in the Faber-Jackson relation as a function of luminosity, mass, and redshift. Methods. We use a sample of approximately 90 000 early-type galaxies from the Sloan Digital Sky Survey (SDSS-DR7) spanning a magnitude range of 7 mag in both g and r filters. We calculate the intrinsic dispersion in the Faber-Jackson relation at approximately constant magnitude and compare this at different luminosities, masses, and redshifts. Results. The main results are the following: i) the intrinsic dispersion in the Faber-Jackson relation depends on the luminosity, mass, and redshift; ii) the distribution for brighter and more massive galaxies has smaller intrinsic dispersion than that for fainter and less massive galaxies; iii) the distribution of bright and massive galaxies at higher redshift has smaller intrinsic dispersion than similar galaxies at low redshift. Conclusions. Comparisons of the results found in this work with recent studies from the literature make us conclude that the intrinsic dispersion in the Faber-Jackson relation could depend on the history of galaxies, in other words, the intrinsic dispersion could depend on the number and nature of transformation events that have affected the galaxies during their life times, such as collapse, accretion, interaction, and merging.
Parenting in the time of COVID-19: Insights and lessons from parents of international school children

The closure of school buildings due to COVID-19 and the resulting rapid transition to online education dramatically altered the lives of educators, students and parents. While previous literature demonstrates the vital role of parents in effective online education (Hattie, 2020; Liu et al, 2010), pre-pandemic literature focuses on parents and students who have opted in to online education. As such, the outbreak of COVID-19 has presented new challenges for understanding the relationship between parents and their child/ren's online learning. Since the start of the pandemic, studies have emerged exploring parental experience adjusting to their child/ren's online remote learning (Bhamani et al, 2020; Brom et al, 2020; Dong et al, 2020; Garbe et al, 2020; Lee et al, 2021). However, less is known about the online learning experiences during COVID-19 of families with children enrolled within international schools. Accordingly, the present study draws upon insights from 44 parents of children attending international schools who took part in 22 focus groups, across three countries and in three languages. The study investigates the parental experience with online education and unpacks four themes that emerged from the data: challenges faced by parents, parental perception of their child/ren’s wellbeing, impressions of the learning quality and parental suggestions for consideration by school leadership. With these findings, school leaders have a unique opportunity to leverage lessons learned and support parental growth so that families, educators and students may all contribute to the promise of a brighter educational future.
The CRK5 and WRKY53 Are Conditional Regulators of Senescence and Stomatal Conductance in Arabidopsis

In Arabidopsis thaliana, cysteine-rich receptor-like kinases (CRKs) constitute a large group of membrane-localized proteins which perceive external stimuli and transduce the signal into the cell. Previous reports based on their loss-of-function phenotypes and expression profile support their role in many developmental and stress-responsive pathways. Our study revealed that one member of this family, CRK5, acts as a negative regulator of leaf aging. Enrichment of the CRK5 promoter region in W-box cis-elements demonstrated that WRKY transcription factors control it. We observed significantly enhanced WRKY53 expression in crk5 and reversion of its early-senescence phenotype in the crk5 wrky53 line, suggesting a negative feedback loop between these proteins antagonistically regulating chlorophyll a and b contents. Yeast-two hybrid assay showed further that CRK5 interacts with several proteins involved in response to water deprivation or calcium signaling, while gas exchange analysis revealed a positive effect of CRK5 on water use efficiency. Consistent with that, the crk5 plants showed disturbed foliar temperature, stomatal conductance, transpiration, and increased susceptibility to osmotic stress. These traits were fully or partially reverted to wild-type phenotype in crk5 wrky53 double mutant. Obtained results suggest that WRKY53 and CRK5 are antagonistic regulators of chlorophyll synthesis/degradation, senescence, and stomatal conductance.
Turbulence in the TW Hya Disk

Turbulence is a fundamental parameter in models of grain growth during the early stages of planet formation. As such, observational constraints on its magnitude are crucial. Here we self-consistently analyze ALMA CO(2–1), SMA CO(3–2), and SMA CO(6–5) observations of the disk around TW Hya and find an upper limit on the turbulent broadening of <0.08cs (α < 0.007 for α defined only within 2–3 pressure scale heights above the midplane), lower than the tentative detection previously found from an analysis of the CO(2–1) data. We examine in detail the challenges of image plane fitting versus directly fitting the visibilities, while also considering the role of the vertical temperature gradient, systematic uncertainty in the amplitude calibration, and assumptions about the CO abundance, as potential sources of the discrepancy in the turbulence measurements. These tests result in variations of the turbulence limit between <0.04cs and <0.13cs, consistently lower than the 0.2–0.4cs found previously. Having ruled out numerous factors, we restrict the source of the discrepancy to our assumed coupling between temperature and density through hydrostatic equilibrium in the presence of a vertical temperature gradient and/or the confinement of CO to a thin molecular layer above the midplane, although further work is needed to quantify the influence of these prescriptions. Assumptions about hydrostatic equilibrium and the CO distribution are physically motivated, and may have a small influence on measuring the kinematics of the gas, but they become important when constraining small effects such as the strength of the turbulence within a protoplanetary disk.
Self-isospectrality, mirror symmetry, and exotic nonlinear supersymmetry

We study supersymmetry of a self-isospectral one-gap Poschl-Teller system in the light of a mirror symmetry that is based on spatial and shift reflections. The revealed exotic, partially broken nonlinear supersymmetry admits seven alternatives for a grading operator. One of its local, first order supercharges may be identified as a Hamiltonian of an associated one-gap, non-periodic Bogoliubov-de Gennes system. The latter possesses a nonlinear supersymmetric structure, in which any of the three non-local generators of a Clifford algebra may be chosen as the grading operator. We find that the supersymmetry generators for the both systems are the Darboux-dressed integrals of a free spin-1/2 particle in the Schrodinger picture, or of a free massive Dirac particle. Nonlocal Foldy-Wouthuysen transformations are shown to be involved in the supersymmetric structure.