Search

The $\Lambda$CDM model successfully explains the majority of cosmological observations. However, the $\Lambda$CDM model is challenged by Hubble tension, a remarkable difference of Hubble constant $H_0$ between measurements from local probe and the prediction from Planck cosmic microwave background observations under $ \Lambda$CDM model. So one urgently needs new distance indicators to test the Hubble tension. Fast radio bursts (FRBs) are millisecond-duration pulses occurring at cosmological distances, which are attractive cosmological probes. However, there is a thorny problem that the dispersion measures (DMs) contributed by host galaxy and the inhomogeneities of intergalactic medium cannot be exactly determined from observations. Previous works assuming fixed values for them bring uncontrolled systematic error in analysis. A reasonable approach is to handle them as probability distributions extracted from cosmological simulations. Here we report a measurement of ${H_0} = 64.67^{+5.62}_{-4.66} {\rm \ km \ s^{-1} \ Mpc^{-1}}$ using fourteen localized FRBs, with an uncertainty of 8.7\% at 68.3 per cent confidence. Thanks to the high event rate of FRBs and localization capability of radio telescopes (i.e., Australian Square Kilometre Array Pathfinder and Very Large Array), future observations of a reasonably sized sample ($\sim$100 localized FRBs) will provide a new way of measuring $H_0$ with a high precision ($\sim$2.6\%) to test the Hubble tension., Comment: minor revision, published in MNRAS Letters

The energy and waiting time distributions are important properties for understanding the physical mechanism of repeating fast radio bursts (FRBs). Recently, the Five-hundred-meter Aperture Spherical radio Telescope (FAST) detected the largest burst sample of FRB 121102, containing 1652 bursts. We use this sample to investigate the energy and waiting time distributions. The energy count distribution $dN/dE$ at the high-energy range ($>10^{38}$ erg) can be fitted with a single power-law function with an index of $-1.86 ^{+0.02}_{-0.02}$, while the distribution at the low-energy range deviates from the power-law function. An interesting result of Li et al. (2021) is that there is an apparent temporal gap between early bursts (occurring before MJD 58740) and late bursts (occurring after MJD 58740). We find the energy distributions of high-energy bursts at different epochs are inconsistent. The power-law index is $-1.70^{+0.03}_{-0.03}$ for early bursts and $-2.60^{+0.15}_{-0.14}$ for late bursts. For bursts observed in a single day, a linear repetition pattern is found. We use the Weibull function to fit the distribution of waiting time of consecutive bursts. The shape parameter $k = 0.72^{+0.01}_{-0.01}$ and the event rate $r = 736.43^{+26.55}_{-28.90}$ day$ ^{-1} $ are derived. If the waiting times with $\delta_t < 28$ s are excluded, the burst behavior can be described by a Poisson process. The best-fitting values of $k$ are slightly different for low-energy ($E < 1.58\times10^{38}$ erg) and high-energy ($E > 1.58\times10^{38}$ erg) bursts., Comment: 20 pages, 1 table, 10 figures, accepted for publication in ApJ Letters

Constrained by the Nielsen-Ninomiya no-go theorem, in all so-far experimentally determined Weyl semimetals (WSMs) the Weyl points (WPs) always appear in pairs in the momentum space with no exception. As a consequence, Fermi arcs occur on surfaces which connect the projections of the WPs with opposite chiral charges. However, this situation can be circumvented in the case of unpaired WP, without relevant surface Fermi arc connecting its surface projection, appearing singularly, while its Berry curvature field is absorbed by nontrivial charged nodal walls. Here, combining angle-resolved photoemission spectroscopy with density functional theory calculations, we show experimentally that a singular Weyl point emerges in PtGa at the center of the Brillouin zone (BZ), which is surrounded by closed Weyl nodal walls located at the BZ boundaries and there is no Fermi arc connecting its surface projection. Our results reveal that nontrivial band crossings of different dimensionalities can emerge concomitantly in condensed matter, while their coexistence ensures the net topological charge of different dimensional topological objects to be zero. Our observation extends the applicable range of the original Nielsen-Ninomiya no-go theorem which was derived from zero dimensional paired WPs with opposite chirality., Comment: 24 pages, 4 figures

We report observations of gamma-ray emissions with energies in the 100 TeV energy region from the Cygnus region in our Galaxy. Two sources are significantly detected in the directions of the Cygnus OB1 and OB2 associations. Based on their positional coincidences, we associate one with a pulsar PSR J2032+4127 and the other mainly with a pulsar wind nebula PWN G75.2+0.1 with the pulsar moving away from its original birthplace situated around the centroid of the observed gamma-ray emission. This work would stimulate further studies of particle acceleration mechanisms at these gamma-ray sources., Comment: Accepted for publication in the Physical Review Letters

Uncertainty in distributed renewable generation threatens the security of power distribution systems. The concept of the dispatchable region was developed to assess the ability of power systems to accommodate renewable generation at a given operating point. Although DC and linearized AC power flow equations are typically used to model dispatchable regions for transmission systems, these equations are rarely suitable for distribution networks. To achieve a suitable trade-off between accuracy and efficiency, this paper proposes a dispatchable region formulation for distribution networks using tight convex relaxation. Second-order cone relaxation is adopted to reformulate the AC power flow equations, which are then approximated by a polyhedron to improve tractability. Further, an efficient adaptive constraint generation algorithm is employed to construct the proposed dispatchable region. Case studies on distribution systems of various scales validate the computational efficiency and accuracy of the proposed method., Comment: 10 pages, 10 figures

A joint determination of the reactor antineutrino spectra resulting from the fission of $^{235}$U and $^{239}$Pu has been carried out by the Daya Bay and PROSPECT collaborations. This Letter reports the level of consistency of $^{235}$U spectrum measurements from the two experiments and presents new results from a joint analysis of both data sets. The measurements are found to be consistent. The combined analysis reduces the degeneracy between the dominant $^{235}$U and $^{239}$Pu isotopes and improves the uncertainty of the $^{235}$U spectral shape to about 3\%. The ${}^{235}$U and $^{239}$Pu antineutrino energy spectra are unfolded from the jointly deconvolved reactor spectra using the Wiener-SVD unfolding method, providing a data-based reference for other reactor antineutrino experiments and other applications. This is the first measurement of the $^{235}$U and $^{239}$Pu spectra based on the combination of experiments at low- and highly enriched uranium reactors., Comment: 8 pages, 5 figures, Supplementary Material Included

Recently, kagome lattice metal AV$_3$Sb$_5$ (A = K, Rb, Cs) family has received wide attention due to its presence of superconductivity, charge density wave (CDW) and peculiar properties from topological nontrivial electronic structure. With time-resolved pump-probe spectroscopy, we show that the excited quasiparticle relaxation dynamics can be explained by formation of energy gap below the phase transition being similar to a usual second-order CDW condensate, by contrast, the structure change is predominantly first order phase transition. Furthermore, no CDW amplitude mode is identified in the ordered phase. The results suggest that the CDW order is very different from the traditional CDW condensate. We also find that weak pump pulse can non-thermally melt the CDW order and drive the sample into its high temperature phase, revealing the fact that the difference in lattice potential between those phases is small., Comment: 3 figures, 6 pages

Electrides are an emerging class of materials with excess electrons localized in interstices and acting as anionic interstitial quasi-atoms (ISQs). The spatial ion-electron separation means that electrides can be treated physically as ionic crystals, and this unusual behavior leads to extraordinary physical and chemical phenomena. Here, a completely different effect in electrides is predicted. By recognizing the long-range Coulomb interactions between matrix atoms and ISQs that are unique in electrides, a nonanalytic correction to the forces exerted on matrix atoms is proposed. This correction gives rise to an LA-TA splitting in the acoustic branch of lattice phonons near the zone center, similar to the well-known LO-TO splitting in the phonon spectra of ionic compounds. The factors that govern this splitting are investigated, with isotropic fcc-Li and anisotropic hP4-Na as the typical examples. It is found that not all electrides can induce a detectable splitting, and criteria are given for this type of splitting. The present prediction unveils the rich phenomena in electrides and could lead to unprecedented applications., Comment: 18 pages, 4 figures

Electrides are an emerging class of materials with highly-localized electrons in the interstices of a crystal that behave as anions. The presence of these unusual interstitial quasi-atom (ISQ) electrons leads to interesting physical and chemical properties, and wide potential applications for this new class of materials. Crystal defects often have a crucial influence on the properties of materials. Introducing impurities has been proved to be an effective approach to improve the properties of a material and to expand its applications. However, the interactions between the anionic ISQs and the crystal defects in electrides are as yet unknown. Here, dense FCC-Li was employed as an archetype to explore the interplay between anionic ISQs and interstitial impurity atoms in this electride. This work reveals a strong coupling among the interstitial impurity atoms, the ISQs, and the matrix Li atoms near to the defects. This complex interplay and interaction mainly manifest as the unexpected tetrahedral interstitial occupation of impurity atoms and the enhancement of electron localization in the interstices. Moreover, the Be impurity occupying the octahedral interstice shows the highest negative charge state (Be8-) discovered thus far. These results demonstrate the rich chemistry and physics of this emerging material, and provide a new basis for enriching their variants for a wide range of applications., Comment: 23 pages, 13 figures

In this letter, we study the resource allocation for a multiuser intelligent reflecting surface (IRS)-aided simultaneous wireless information and power transfer (SWIPT) system. Specifically, a multi-antenna base station (BS) transmits energy and information signals simultaneously to multiple energy harvesting receivers (EHRs) and information decoding receivers (IDRs) assisted by an IRS. Under this setup, we introduce a multi-objective optimization (MOOP) framework to investigate the fundamental trade-off between the data sum-rate maximization and the total harvested energy maximization, by jointly optimizing the energy/information beamforming vectors at the BS and the phase shifts at the IRS. This MOOP problem is first converted to a single-objective optimization problem (SOOP) via the $\epsilon$-constraint method and then solved by majorization minimization (MM) and inner approximation (IA) techniques. Simulation results unveil a non-trivial trade-off between the considered competing objectives, as well as the superior performance of the proposed scheme as compared to various baseline schemes., Comment: Accepted by IEEE Wireless Communications Letters

The prediction of reactor antineutrino spectra will play a crucial role as reactor experiments enter the precision era. The positron energy spectrum of 3.5 million antineutrino inverse beta decay reactions observed by the Daya Bay experiment, in combination with the fission rates of fissile isotopes in the reactor, is used to extract the positron energy spectra resulting from the fission of specific isotopes. This information can be used to produce a precise, data-based prediction of the antineutrino energy spectrum in other reactor antineutrino experiments with different fission fractions than Daya Bay. The positron energy spectra are unfolded to obtain the antineutrino energy spectra by removing the contribution from detector response with the Wiener-SVD unfolding method. Consistent results are obtained with other unfolding methods. A technique to construct a data-based prediction of the reactor antineutrino energy spectrum is proposed and investigated. Given the reactor fission fractions, the technique can predict the energy spectrum to a 2% precision. In addition, we illustrate how to perform a rigorous comparison between the unfolded antineutrino spectrum and a theoretical model prediction that avoids the input model bias of the unfolding method., Comment: 22 pages, 10 figures, 6 supplemental materials

A central goal of condensed-matter physics is to understand how the diverse electronic and optical properties of crystalline materials emerge from the wavelike motion of electrons through periodically arranged atoms. However, more than 90 years after Bloch derived the functional forms of electronic waves in crystals [1] (now known as Bloch wavefunctions), rapid scattering processes have so far prevented their direct experimental reconstruction. In high-order sideband generation [2-9], electrons and holes generated in semiconductors by a near-infrared laser are accelerated to a high kinetic energy by a strong terahertz field, and recollide to emit near-infrared sidebands before they are scattered. Here we reconstruct the Bloch wavefunctions of two types of hole in gallium arsenide at wavelengths much longer than the spacing between atoms by experimentally measuring sideband polarizations and introducing an elegant theory that ties those polarizations to quantum interference between different recollision pathways. These Bloch wavefunctions are compactly visualized on the surface of a sphere. High-order sideband generation can, in principle, be observed from any direct-gap semiconductor or insulator. We thus expect that the method introduced here can be used to reconstruct low-energy Bloch wavefunctions in many of these materials, enabling important insights into the origin and engineering of the electronic and optical properties of condensed matter., Comment: Total: 27 pages, 12 figures. Main text 13 pages, 4 figures

Broad Balmer emission lines in active galactic nuclei (AGN) may display dramatic changes in amplitude, even disappearance and re-appearance in some sources. As a nearby galaxy at a redshift of z = 0.0264, Mrk 590 suffered such a cycle of Seyfert type changes between 2006 and 2017. Over the last fifty years, Mrk 590 also underwent a powerful continuum outburst and a slow fading from X-rays to radio wavelengths with a peak bolometric luminosity reaching about ten per cent of the Eddington luminosity. To track its past accretion and ejection activity, we performed very long baseline interferometry (VLBI) observations with the European VLBI Network (EVN) at 1.6 GHz in 2015. The EVN observations reveal a faint (~1.7 mJy) radio jet extending up to ~2.8 mas (projected scale ~1.4 pc) toward north, and probably resulting from the very intensive AGN activity. To date, such a parsec-scale jet is rarely seen in the known changing-look AGN. The finding of the faint jet provides further strong support for variable accretion as the origin of the type changes in Mrk 590., Comment: 5 pages, 1 figure, accepted for publication in MNRAS Letters

Generalized zero-shot learning (GZSL) aims to train a model for classifying data samples under the condition that some output classes are unknown during supervised learning. To address this challenging task, GZSL leverages semantic information of the seen (source) and unseen (target) classes to bridge the gap between both seen and unseen classes. Since its introduction, many GZSL models have been formulated. In this review paper, we present a comprehensive review on GZSL. Firstly, we provide an overview of GZSL including the problems and challenges. Then, we introduce a hierarchical categorization for the GZSL methods and discuss the representative methods in each category. In addition, we discuss the available benchmark data sets and applications of GZSL, along with a discussion on the research gaps and directions for future investigations., Comment: 26 pages, 12 figures

Purpose: To develop an Artificial Intelligence (AI) agent for fully-automated rapid head and neck (H&N) IMRT plan generation without time-consuming inverse planning.$$$$ Methods: This AI agent was trained using a conditional Generative Adversarial Network architecture. The generator, PyraNet, is a novel Deep Learning network that implements 28 classic ResNet blocks in pyramid-like concatenations. The discriminator is a customized 4-layer DenseNet. The AI agent first generates customized 2D projections at 9 template beam angles from 3D CT volume and structures of a patient. These projections are then stacked as 4D inputs of PyraNet, from which 9 radiation fluence maps are generated simultaneously. Finally, the predicted fluence maps are imported into a commercial treatment planning system (TPS) for plan integrity checks. The AI agent was built and tested upon 231 oropharyngeal plans from a TPS plan library. Only the primary plans in the sequential boost regime were studied. A customized Harr wavelet loss was adopted for fluence map comparison. Isodose distributions in test AI plans and TPS plans were qualitatively evaluated. Key dosimetric metrics were statistically compared.$$$$ Results: All test AI plans were successfully generated. Isodose gradients outside of PTV in AI plans were comparable with TPS plans. After PTV coverage normalization, $D_{mean}$ of parotids and oral cavity in AI plans and TPS plans were comparable without statistical significance. AI plans achieved comparable $D_{max}$ at 0.01cc of brainstem and cord+5mm without clinically relevant differences, but body $D_{max}$ was higher than the TPS plan results. The AI agent needs ~3s per case to predict fluence maps.$$$$ Conclusions: The developed AI agent can generate H&N IMRT plans with satisfying dosimetry quality. With rapid and fully automated implementation, it holds great potential for clinical applications., Comment: Withdraw for internal review

Pancreas stereotactic body radiotherapy treatment planning requires planners to make sequential, time consuming interactions with the treatment planning system (TPS) to reach the optimal dose distribution. We seek to develop a reinforcement learning (RL)-based planning bot to systematically address complex tradeoffs and achieve high plan quality consistently and efficiently. The focus of pancreas SBRT planning is finding a balance between organs-at-risk sparing and planning target volume (PTV) coverage. Planners evaluate dose distributions and make planning adjustments to optimize PTV coverage while adhering to OAR dose constraints. We have formulated such interactions between the planner and the TPS into a finite-horizon RL model. First, planning status features are evaluated based on human planner experience and defined as planning states. Second, planning actions are defined to represent steps that planners would commonly implement to address different planning needs. Finally, we have derived a reward system based on an objective function guided by physician-assigned constraints. The planning bot trained itself with 48 plans augmented from 16 previously treated patients and generated plans for 24 cases in a separate validation set. All 24 bot-generated plans achieve similar PTV coverages compared to clinical plans while satisfying all clinical planning constraints. Moreover, the knowledge learned by the bot can be visualized and interpreted as consistent with human planning knowledge, and the knowledge maps learned in separate training sessions are consistent, indicating reproducibility of the learning process., Comment: 13 pages, 5 figures, and a table. Submitted to International Journal of Radiation Oncology Biology Physics

The coronavirus disease, also known as the COVID-19, is an ongoing pandemic of a severe acute respiratory syndrome. The pandemic has led to the cancellation of many religious, political, and cultural events around the world. A huge number of people have been stuck within their homes because of unprecedented lockdown measures taken globally. This paper examines the reaction of individuals to the virus outbreak-through the analytical lens of specific hashtags on the Instagram platform. The Instagram posts are analyzed in an attempt to surface commonalities in the way that individuals use visual social media when reacting to this crisis. After collecting the data, the posts containing the location data are selected. A portion of these data are chosen randomly and are categorized into five different categories. We perform several manual analyses to get insights into our collected dataset. Afterward, we use the ResNet-50 convolutional neural network for classifying the images associated with the posts, and attention-based LSTM networks for performing the caption classification. This paper discovers a range of emerging norms on social media in global crisis moments. The obtained results indicate that our proposed methodology can be used to automate the sentiment analysis of mass people using Instagram data.

Based on the realistic nuclear force of the high-precision CD-Bonn potential, we have performed comprehensive calculations for neutron-rich calcium isotopes using the Gamow shell model (GSM) which includes resonance and continuum. The realistic GSM calculations produce well binding energies, one- and two-neutron separation energies, predicting that $^{57}$Ca is the heaviest bound odd isotope and $^{70}$Ca is the dripline nucleus. Resonant states are predicted, which provides useful information for future experiments on particle emissions in neutron-rich calcium isotopes. Shell evolutions in the calcium chain around neutron numbers \textit{N} = 32, 34 and 40 are understood by calculating effective single-particle energies, the excitation energies of the first $2^+$ states and two-neutron separation energies. The calculations support shell closures at $^{52}$Ca (\textit{N} = 32) and $^{54}$Ca (\textit{N} = 34) but show a weakening of shell closure at $^{60}$Ca (\textit{N} = 40). The possible shell closure at $^{70}$Ca (\textit{N} = 50) is predicted., Comment: 24 pages, 6 figures

Recently, the discovery of Galactic FRB 200428 associated with a X-ray burst (XRB) of SGR 1935+2154 has built a bridge between FRBs and magnetar activities. In this paper, we assume that the XRB occurs in the magnetar magnetosphere. We show that the observational properties of FRB 200428 and the associated XRB are consistent with the predictions of synchrotron maser emission at ultrarelativistic magnetized shocks, including radiation efficiency, similar energy occurrence frequency distributions, and simultaneous arrive times. It requires that the upstream medium is a mildly relativistic baryonic shell ejected by a previous flare. The energy injection by flares responsible for the radio bursts will produce a magnetar wind nebula, which has been used to explain the persistent radio source associated FRB 121102. We find that the radio continuum around SGR 1935+2154 can be well understood in the magnetar wind nebula model, by assuming the same energy injection rate $\dot{E} \propto t^{-1.37}$ as FRB 121102. The required baryonic mass is also estimated form the observations of FRB 121102 by GBT and FAST. By assuming the same radiation efficiency $\eta \sim 10^{-5}$, the total baryonic mass ejected from the central magnetar is about 0.005 solar mass. This value is much larger than the typical mass of a magnetar outer crust, but is comparable to the total mass of a magnetar crust., Comment: 12 pages, 2 figures, accepted for publication in ApJ Letters

We investigated the pulsar radio luminosity ($L$), emission efficiency (ratio of radio luminosity to its spin-down power $\dot{E}$), and death line in the diagram of magnetic field (B) versus spin period (P), and found that the dependence of pulsar radio luminosity on its spin-down power ($L-\dot{E}$) is very weak, shown as $L\sim\dot{E}^{0.06}$, which deduces an equivalent inverse correlation between emission efficiency and spin-down power as $\xi\sim \dot{E}^{-0.94}$. Furthermore, we examined the distributions of radio luminosity of millisecond and normal pulsars, and found that, for the similar spin-down powers, the radio luminosity of millisecond pulsars is about one order of magnitude lower than that of the normal pulsars. The analysis of pulsar radio flux suggests that this correlations are not due to a selective effect, but are intrinsic to the pulsar radio emission physics. Their radio radiations may be dominated by the different radiation mechanisms. The cut-off phenomenon of currently observed radio pulsars in B-P diagram is usually referred as the "pulsar death line", which corresponds to $\dot{E}\approx 10^{30}$ erg/s and is obtained by the cut-off voltage of electron acceleration gap in the polar cap model of pulsar proposed by Ruderman and Sutherland. Observationally, this death line can be inferred by the actual observed pulsar flux $S\approx $1mJy and 1kpc distance, together with the maximum radio emission efficiency of 1\%. At present, the actual observed pulsar flux can reach 0.01mJy by FAST telescope, which will arise the observational limit of spin-down power of pulsar as low as $\dot{E}\approx 10^28$ erg/s. This means that the new death line is downward shifted two orders of magnitude, which might be favorably referred as the "observational limit-line", and accordingly the pulsar theoretical model for the cut-off voltage of gap should be heavily modified.

To maximize the light yield of the liquid scintillator (LS) for the Jiangmen Underground Neutrino Observatory (JUNO), a 20 t LS sample was produced in a pilot plant at Daya Bay. The optical properties of the new LS in various compositions were studied by replacing the gadolinium-loaded LS in one antineutrino detector. The concentrations of the fluor, PPO, and the wavelength shifter, bis-MSB, were increased in 12 steps from 0.5 g/L and <0.01 mg/L to 4 g/L and 13 mg/L, respectively. The numbers of total detected photoelectrons suggest that, with the optically purified solvent, the bis-MSB concentration does not need to be more than 4 mg/L. To bridge the one order of magnitude in the detector size difference between Daya Bay and JUNO, the Daya Bay data were used to tune the parameters of a newly developed optical model. Then, the model and tuned parameters were used in the JUNO simulation. This enabled to determine the optimal composition for the JUNO LS: purified solvent LAB with 2.5 g/L PPO, and 1 to 4 mg/L bis-MSB., Comment: 13 pages, 8 figures

Providing a possible connection between neutrino emission and gravitational-wave (GW) bursts is important to our understanding of the physical processes that occur when black holes or neutron stars merge. In the Daya Bay experiment, using data collected from December 2011 to August 2017, a search has been performed for electron-antineutrino signals coinciding with detected GW events, including GW150914, GW151012, GW151226, GW170104, GW170608, GW170814, and GW170817. We used three time windows of $\mathrm{\pm 10~s}$, $\mathrm{\pm 500~s}$, and $\mathrm{\pm 1000~s}$ relative to the occurrence of the GW events, and a neutrino energy range of 1.8 to 100 MeV to search for correlated neutrino candidates. The detected electron-antineutrino candidates are consistent with the expected background rates for all the three time windows. Assuming monochromatic spectra, we found upper limits (90% confidence level) on electron-antineutrino fluence of $(1.13~-~2.44) \times 10^{11}~\rm{cm^{-2}}$ at 5 MeV to $8.0 \times 10^{7}~\rm{cm^{-2}}$ at 100 MeV for the three time windows. Under the assumption of a Fermi-Dirac spectrum, the upper limits were found to be $(5.4~-~7.0)\times 10^{9}~\rm{cm^{-2}}$ for the three time windows., Comment: 16 pages, 12 figures, 9 tables

The Hubble parameter $H(z)$ is directly related to the expansion of our Universe. It can be used to study dark energy and constrain cosmology models. In this paper, we propose that $H(z)$ can be measured using fast radio bursts (FRBs) with redshift measurements. We use dispersion measures contributed by the intergalactic medium, which is related to $H(z)$, to measure Hubble parameter. We find that 500 mocked FRBs with dispersion measures and redshift information can accurately measure Hubble parameters using Monte Carlo simulation. The maximum deviation of $H(z)$ from standard $\Lambda$CDM model is about 6\% at redshift $z= 2.4$. We also test our method using Monte Carlo simulation. Kolmogorov-Smirnov (K-S) test is used to check the simulation. The $p$-value of K-S test is 0.23, which confirms internal consistency of the simulation. In future, more localizations of FRBs make it as an attractive cosmological probe., Comment: 10 pages, 4 figures, accepted for publication in ApJ

Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic properties. In this regard, electronic structure packages have played a special role by using first-principledriven methodologies to model complex chemical and materials processes. Over the last few decades, the rapid development of computing technologies and the tremendous increase in computational power have offered a unique chance to study complex transformations using sophisticated and predictive many-body techniques that describe correlated behavior of electrons in molecular and condensed phase systems at different levels of theory. In enabling these simulations, novel parallel algorithms have been able to take advantage of computational resources to address the polynomial scaling of electronic structure methods. In this paper, we briefly review the NWChem computational chemistry suite, including its history, design principles, parallel tools, current capabilities, outreach and outlook., Comment: This article appeared in volume 152, issue 18, page 184102 of the Journal of Chemical Physics. It can be found at https://doi.org/10.1063/5.0004997

Realistic synthetic observations of theoretical source models are essential for our understanding of real observational data. In using synthetic data, one can verify the extent to which source parameters can be recovered and evaluate how various data corruption effects can be calibrated. These studies are important when proposing observations of new sources, in the characterization of the capabilities of new or upgraded instruments, and when verifying model-based theoretical predictions in a comparison with observational data. We present the SYnthetic Measurement creator for long Baseline Arrays (SYMBA), a novel synthetic data generation pipeline for Very Long Baseline Interferometry (VLBI) observations. SYMBA takes into account several realistic atmospheric, instrumental, and calibration effects. We used SYMBA to create synthetic observations for the Event Horizon Telescope (EHT), a mm VLBI array, which has recently captured the first image of a black hole shadow. After testing SYMBA with simple source and corruption models, we study the importance of including all corruption and calibration effects. Based on two example general relativistic magnetohydrodynamics (GRMHD) model images of M87, we performed case studies to assess the attainable image quality with the current and future EHT array for different weather conditions. The results show that the effects of atmospheric and instrumental corruptions on the measured visibilities are significant. Despite these effects, we demonstrate how the overall structure of the input models can be recovered robustly after performing calibration steps. With the planned addition of new stations to the EHT array, images could be reconstructed with higher angular resolution and dynamic range. In our case study, these improvements allowed for a distinction between a thermal and a non-thermal GRMHD model based on salient features in reconstructed images., Comment: 20 pages, 15 figures, accepted for publication in A&A

The properties of hydrogen at high pressure have wide implications in astrophysics and high-pressure physics. Its phase change in the liquid is variously described as a metallization, H2-dissociation, density discontinuity or plasma phase transition. It has been tacitly assumed that these phenomena coincide at a first-order liquid-liquid transition (LLT). In this work, the relevant pressure-temperature conditions are thoroughly explored with first-principles molecular dynamics. We show there is a large dependency on exchange-correlation functional and significant finite size effects. We use hysteresis in a number of measurable quantities to demonstrate a first-order transition up to a critical point, above which molecular and atomic liquids are indistinguishable. At higher temperature beyond the critical point, H2-dissociation becomes a smooth cross-over in the supercritical region that can be modelled by a pseudo-transition, where the H2-2H transformation is localized and does not cause a density discontinuity at metallization. Thermodynamic anomalies and counter-intuitive transport behavior of protons are also discovered even far beyond the critical point, making this dissociative transition highly relevant to the interior dynamics of Jovian planets. Below the critical point, simulation also reveals a dynamic H2-2H chemical equilibrium with rapid interconversion, showing that H2 and H are miscible. The predicted critical temperature lies well below the ionization temperature. Our calculations unequivocally demonstrate that there are three distinct regimes in the liquid-liquid transition of warm dense hydrogen., Comment: 34 pages, 7 figures, with Supplementary Material

It is believed that the density functional theory (DFT) describes most elements with s, p and d orbitals very well, except some materials that having strongly localized and correlated valence electrons. In this work, we find that the widely employed exchange-correlation (xc) functionals, including LDA, GGA and meta-GGA, underestimate the shear modulus and phase stability of V and Nb greatly. The advanced hybrid functional that is usually better for correlated system, on the other hand, completely fails in these two simple metals. This striking failure is revealed due to the orbital localization error in GGA, which is further deteriorated by hybrid functionals. This observation is corroborated by a similar failure of DFT+U and van der Waals functionals when applied to V and Nb. To remedy this problem, an semi-empirical approach of DFT+J is proposed which can delocalize electrons by facilitating the on-site exchange. Furthermore, it is observed that including density derivatives slightly improves the performance of the semi-local functionals, with meta-GGA outperforms GGA, and the latter is better than LDA. This discovery indicates the possibility and necessity to include higher-order density derivatives beyond the Laplacian level for the purpose to remove the orbital localization error (mainly from d orbitals) and delocalization error (mainly from s and p orbitals) completely in V and Nb, so that to achieve a better description of their electronic structures. The same strategy can be applied to other d electron system and f electron system., Comment: 27 pages, 5 figures, with Supplementary Material

We probe nuclear multipole resonances in the framework of the random-phase approximation by using the interaction obtained from the chiral effective field theory. The three-nucleon force is included in a form of the in-medium two-nucleon interaction which was derived from the chiral three-nucleon force. The isoscalar monopole, isoscalar dipole, isovector dipole and isoscalar quadrupole resonances of the closed-shell $^{56,68,78}$Ni have been investigated. The calculations reasonably reproduce the experimental multipole resonances of $^{56,68}$Ni, and well describe the pygmy dipole resonance and dipole polarizability measured in $^{68}$Ni. The multipole resonances of $^{78}$Ni, including pygmy dipole resonance and dipole polarizability, are predicted. The detailed effects of the tensor force and three-body force are analyzed by dissecting the chiral interaction. We find that in general the tensor force effect on electric giant resonances is not as significant as the effect from the three-body force, although the tensor force provides more than half of the binding energy. The effect from three-body force is strong in light nuclei. Particularly, three-body force is crucial for the formation of the pygmy resonance in calculations., Comment: Accepted by PHYSICAL REVIEW C

Searches for electron antineutrino, muon neutrino, and muon antineutrino disappearance driven by sterile neutrino mixing have been carried out by the Daya Bay and MINOS+ collaborations. This Letter presents the combined results of these searches, along with exclusion results from the Bugey-3 reactor experiment, framed in a minimally extended four-neutrino scenario. Significantly improved constraints on the $\theta_{\mu e}$ mixing angle are derived that constitute the most stringent limits to date over five orders of magnitude in the sterile mass-squared splitting $\Delta m^2_{41}$, excluding the 90% C.L. sterile-neutrino parameter space allowed by the LSND and MiniBooNE observations at 90% CL$_s$ for $\Delta m^2_{41}<5\,$eV$^2$.Furthermore, the LSND and MiniBooNE 99% C.L. allowed regions are excluded at 99% CL$_s$ for $\Delta m^2_{41}$ $<$ 1.2 eV$^2$., Comment: 8 pages, 4 figures

Gamow shell model (GSM) is usually performed within the Woods-Saxon (WS) basis in which the WS parameters need to be determined by fitting experimental single-particle energies including their resonance widths. In the multi-shell case, such a fit is difficult due to the lack of experimental data of cross-shell single-particle energies and widths. In this paper, we develop an {\it ab-initio} GSM by introducing the Gamow Hartree-Fock (GHF) basis that is obtained using the same interaction as the one used in the construction of the shell-model Hamiltonian. GSM makes use of the complex-momentum Berggren representation, then including resonance and continuum components. Hence, GSM gives a good description of weakly bound and unbound nuclei. Starting from chiral effective field theory and employing many-body perturbation theory (MBPT) (called nondegenerate $\hat Q$-box folded-diagram renormalization) in the GHF basis, a multi-shell Hamiltonian ({\it sd-pf} shells in this work) can be constructed. The single-particle energies and their resonance widths can also been obtained using MBPT. We investigated $^{23-28}$O and $^{23-31}$F isotopes, for which multi-shell calculations are necessary. Calculations show that continuum effects and the inclusion of the {\it pf} shell are important elements to understand the structure of nuclei close to and beyond driplines., Comment: Accept by Physics Letters B

Distinctive superconducting behaviors between bulk and monolayer FeSe make it challenging to obtain a unified picture of all FeSe-based superconductors. We investigate the ultrafast quasiparticle (QP) dynamics of an intercalated superconductor (Li1-xFex)OHFe1-ySe, which is a bulk crystal but shares a similar electronic structure with single-layer FeSe on SrTiO3. We obtain the electron-phonon coupling (EPC) constant {\lambda}A1g (0.22 +/- 0.04), which well bridges that of bulk FeSe crystal and single-layer FeSe on SrTiO3. Moreover, we find that such a positive correlation between {\lambda}A1g and superconducting Tc holds among all known FeSe-based superconductors, even in line with reported FeAs-based superconductors. Our observation indicates possible universal role of EPC in the superconductivity of all known categories of iron-based superconductors, which is a critical step towards achieving a unified superconducting mechanism for all iron-based superconductors.