Search

The advent of new and near-future observatories probing the earliest epochs of the Universe has opened the opportunity to investigate the formation and growth of the first massive black holes (MBHs). Additionally, the use of high resolution cosmological simulations to investigate these high-redshift environments is needed to predict the dark matter halos in which these MBH seeds will form. We use the $\textit{Renaissance}$ simulations to analyse the formation and growth of so-called heavy seed black holes. Other past work has investigated the formation and growth of light (black hole) seeds with $\textit{Renaissance}$ and found that these black holes do not grow in the environments in which they reside. In this work we seed MBHs, in post-processing, and track accretion onto the MBHs as well as mergers with other MBHs at high-redshift. We show that the heavy seeds struggle to achieve high accretion rates with only the most massive black holes ($\gtrsim 10^5 \text{M}_\odot$) growing at close to the Eddington limit under optimistic conditions. Despite the lack of significant growth for these early MBHs, the signals from their merger events will be sufficiently strong (SNR $\sim 10^2$) to be probed by the next generation of gravitational wave observatories, such as $\textit{LISA}$. We predict that $\textit{LISA}$ will observe of the order of $10$ MBH merger events per year where the mergers occur at z $\gtrsim$ 10 or at least begin their early inspiral phase at z $\gtrsim$ 10., Comment: 15 pages, 10 figures, Submitted to the Open Journal of Astrophysics for review

Understanding surface collective dynamics in quantum materials is crucial for advancing quantum technologies. For example, surface phonon modes in quantum paraelectrics are thought to play an essential role in facilitating interfacial superconductivity. However, detecting these modes, especially below 1 terahertz (THz), is challenging due to limited sampling volumes and the need for high spectroscopic resolution. Here, we report surface soft transverse optical (TO1) phonon dynamics in KTaO3 and SrTiO3 by developing surface-sensitive spintronic THz spectroscopy that can sense the collective modes only a few nanometers deep from the surface. In KTaO3, the TO1 mode softens and sharpens with decreasing temperature, leveling off at 0.7 THz. In contrast, this mode in SrTiO3 broadens significantly below the quantum paraelectric crossover and coincides with the hardening of a sub-meV phonon mode related to the antiferrodistortive transition. These observations that deviate from their bulk properties may have implications for interfacial superconductivity and ferroelectricity. The developed technique opens opportunities for sensing low-energy surface excitations., Comment: The main text consists of 24 pages and includes 4 figures. Supplementary Information is also provided

Recent observations made using the James Webb Space Telescope have identified a number of high-redshift galaxies that are unexpectedly luminous. In light of this, it is clear that a more detailed understanding of the high redshift, pre-reionization universe is required for us to obtain the complete story of galaxy formation. This study is the first in a series that seeks to tell the story of galaxy formation at $z \gtrsim 10$ using a suite of large-scale adaptive mesh refinement cosmological simulations. Our machine-learning-accelerated surrogate model for Population III star formation and feedback, StarNet, gives us an unprecedented ability to obtain physically accurate, inhomogeneous chemical initial conditions for a statistically significant number of galaxies. We find that of the 12,423 halos in the mass range of $10^6\,\,M_\odot < M_\mathrm{vir} < 10^9\,\, M_\odot$ that form in our fiducial simulation, $16\%$ are chemically enriched by Population III supernovae by $z\sim12$. We then profile and compare various cooling processes at the centers of halos, and find a complete absence of atomic cooling halos. All of our halos with central cooling gas are dominated by H$_2$ cooling, metal cooling, or a mixture of the two, even in the presence of a strong H$_2$-photodissociating Lyman-Werner background. We also find that gas accretion through the virial radius is not driven by cooling. We find that gas virialization in halos with $M_\mathrm{vir}\gtrsim10^7\,\,M_\odot$ is supported by bulk turbulent flows, and that thermal energy accounts for only a small fraction of the total kinetic energy. Because of this, the mean gas temperature is well below the virial temperature for these halos. We then compute the mass of gas that is available for Population II star formation, and infer star formation rates for each potential star-forming halo., Comment: 36 pages, 27 figures

We employ correlated density-functional theory methods (DFT + Hubbard $U$) to investigate the spin-density wave state of the bilayer Ruddlesden-Popper (RP) nickelate La$_{3}$Ni$_{2}$O$_{7}$ which becomes superconducting under pressure. We predict that the ground state of this bilayer RP material is a single spin-charge stripe phase with in-plane up$^\prime$/up/down$^\prime$/down diagonal stripes with up$^\prime$/down$^\prime$ being low spin (formally Ni$^{3+}$: $d^7$) and up/down being high spin (formally Ni$^{2+}$: $d^8$). The main feature of this solution (that is insulating even at $U=0$) is the dominant role of $d_{x^{2}-y^{2}}$ bands around the Fermi level, which would become doped with the introduction of electrons via oxygen vacancies. In spite of the similarity with cuprates in terms of the dominant role of $d_{x^{2}-y^{2}}$ bands, some differences are apparent in the magnetic ground state of La$_{3}$Ni$_{2}$O$_{7}$: the antiferromagnetic out-of-plane coupling within the bilayer (linked to the $d_{z^2}$ orbitals forming a spin-singlet-like configuration) is found to be the dominant one while in-plane interactions are reduced due to the stripe order of the ground state. With pressure, this striped magnetic ground state remains similar in nature but the increase in bandwidth quickly transitions La$_{3}$Ni$_{2}$O$_{7}$ into a metallic state with all the activity close to the Fermi level involving, to a large extent, $d_{x^2-y^2}$ orbitals. This is reminiscent of the cuprates and may provide key insights into how superconductivity arises in this material under pressure., Comment: 8 pages, 4 figures

The prevalence of light element enhancement in the most metal-poor stars is potentially an indication that the Milky Way has a metallicity floor for star formation around $\sim$10$^{-3.5}$ Z$_{\odot}$. We propose that this metallicity floor has its origins in metal-enriched star formation in the minihalos present during the Galaxy's initial formation. To arrive at this conclusion, we analyze a cosmological radiation hydrodynamics simulation that follows the concurrent evolution of multiple Population III star-forming minihalos. The main driver for the central gas within minihalos is the steady increase in hydrostatic pressure as the halos grow. We incorporate this insight into a hybrid one-zone model that switches between pressure-confined and modified free-fall modes to evolve the gas density with time according to the ratio of the free-fall and sound-crossing timescales. This model is able to accurately reproduce the density and chemo-thermal evolution of the gas in each of the simulated minihalos up to the point of runaway collapse. We then use this model to investigate how the gas responds to the absence of H$_{2}$. Without metals, the central gas becomes increasingly stable against collapse as it grows to the atomic cooling limit. When metals are present in the halo at a level of $\sim$10$^{-3.7}$ Z$_{\odot}$, however, the gas is able to achieve gravitational instability while still in the minihalo regime. Thus, we conclude that the Galaxy's metallicity floor is set by the balance within minihalos of gas-phase metal cooling and the radiation background associated with its early formation environment., Comment: 11 pages, 5 figures, accepted for publication in MNRAS

Motivated by the recent observation of superconductivity in the pressurized trilayer La$_4$Ni$_3$O$_{10}$ Ruddlesden-Popper (RP) nickelate, we explore its structural, electronic, and magnetic properties as a function of hydrostatic pressure from first-principles calculations. We find that in both the bilayer and trilayer nickelates, an orthorhombic(monoclinic)-to-tetragonal transition under pressure takes place concomitantly with the onset of superconductivity. The electronic structure of La$_4$Ni$_3$O$_{10}$ can be understood using a molecular trimer basis wherein $n$ molecular subbands arise as the $d_{z^2}$ orbitals hybridize strongly along the $c$-axis within the trilayer. The magnetic tendencies indicate that the ground state at ambient pressure is formed by nonmagnetic inner planes and stripe-ordered outer planes that are antiferromagnetically coupled along the $c$ axis, resulting in an unusual $\uparrow$, 0, $\downarrow$ stacking that is consistent with the spin density wave model suggested by neutron diffraction. Such a state is destabilized by the pressures wherein superconductivity arises. Despite the presence of $d_{z^2}$ states at the Fermi level, the $d_{x^2-y^2}$ orbitals also play a key role in the electronic structure of La$_4$Ni$_3$O$_{10}$. This active role of the $d_{x^2-y^2}$ states in the low-energy physics of the trilayer RP nickelate, together with the distinct electronic behavior of inner and outer planes, resembles the physics of multilayer cuprates., Comment: 11 pages, 8 figures

Following the recent report of superconductivity in the bilayer nickelate La$_{3}$Ni$_{2}$O$_{7}$ under pressure, we present an analysis of the electronic and magnetic properties of La$_{3}$Ni$_{2}$O$_{7}$ as a function of pressure using correlated density functional theory methods (DFT+$U$). At the bare DFT level, the electronic structure of the ambient and high-pressure phases of La$_{3}$Ni$_{2}$O$_{7}$are qualitatively similar. Upon including local correlation effects within DFT+$U$ and allowing for magnetic ordering, we find a delicate interplay between pressure and electronic correlations. Within the pressure-correlations phase space, we identify a region (at $U$ values consistent with constrained RPA) characterized by a high spin to low spin transition with increasing pressure. In contrast to previous theoretical work that only highlights the crucial role of the Ni-$d_{z^2}$ orbitals in this material, we find that the Ni-$d_{x^{2}-y^{2}}$ orbitals are active upon pressure and drive this rich magnetic landscape. This picture is preserved in the presence of oxygen deficiencies., Comment: main: 8 pages, 4 figures, SI: 8 pages, 7 figures

We present a study of the co-evolution of a population of primordial star-forming minihalos at Cosmic Dawn. In this study, we highlight the influence of individual Population III stars on the ability of nearby minihalos to form sufficient molecular hydrogen to undergo star formation. In the absence of radiation, we find the minimum halo mass required to bring about collapse to be ~10^5 Msun, this increases to ~10^6 Msun after two stars have formed. We find an inverse relationship between halo mass and the time required for it to recover its molecular gas after being disrupted by radiation from a nearby star. We also take advantage of the extremely high resolution to investigate the effects of major and minor mergers on the gas content of star-forming minihalos. Contrary to previous claims of fallback of supernova ejecta, we find minihalos evacuated after hosting Pop III stars primarily recover gas through mergers with undisturbed halos. We identify an intriguing type of major merger between recently evacuated halos and gas-rich ones, finding that these 'mixed' mergers accelerate star formation instead of suppressing it like their low redshift counterparts. We attribute this to the gas-poor nature of one of the merging halos resulting in no significant rise in temperature or turbulence and instead inducing a rapid increase in central density and hydrostatic pressure. This constitutes a novel formation pathway for Pop III stars and establishes major mergers as potentially the primary source of gas, thus redefining the role of major mergers at this epoch., Comment: 15 pages, 12 figures, accepted for publication in MNRAS, revised with moderate changes

Modern large-scale physics experiments create datasets with sizes and streaming rates that can exceed those from industry leaders such as Google Cloud and Netflix. Fully processing these datasets requires both sufficient compute power and efficient workflows. Recent advances in Machine Learning (ML) and Artificial Intelligence (AI) can either improve or replace existing domain-specific algorithms to increase workflow efficiency. Not only can these algorithms improve the physics performance of current algorithms, but they can often be executed more quickly, especially when run on coprocessors such as GPUs or FPGAs. In the winter of 2023, MIT hosted the Accelerating Physics with ML at MIT workshop, which brought together researchers from gravitational-wave physics, multi-messenger astrophysics, and particle physics to discuss and share current efforts to integrate ML tools into their workflows. The following white paper highlights examples of algorithms and computing frameworks discussed during this workshop and summarizes the expected computing needs for the immediate future of the involved fields., Comment: Whitepaper resulting from Accelerating Physics with ML@MIT workshop in Jan/Feb 2023

Infinite-layer nickelates ($R$NiO$_2$) exhibit some distinct differences as compared to cuprate superconductors, leading to a debate concerning the role of rare-earth ions ($R$=La, Pr, Nd) in the low-energy many-body physics. Although rare-earth $4f$ orbitals are typically treated as inert `core' electrons in studies, this approximation has been questioned. An active participation of $4f$ states is most likely for PrNiO$_2$ based on an analogy to cuprates where Pr cuprates differ significantly from other cuprates. Here, we adopt density functional plus dynamical mean field theory (DFT+DMFT) to investigate the role of Pr $4f$ orbitals and more generally the correlated electronic structure of PrNiO$_2$ and its hole-doped variant. We find that the Pr $4f$ states are insulating and show no evidence for either a Kondo resonance or Zhang-Rice singlet formation as they do not have any hybridization channels near the Fermi energy. The biggest effects of hole doping are to shift the Pr $5d$ and $4f$ states further away from the Fermi energy while enhancing the Ni $3d$ - O $2p$ hybridization, thus reducing correlation effects as the O $2p$ states get closer to the Fermi energy. We again find no evidence for either Kondo or Zhang-Rice physics for the $4f$ states upon hole doping. We conclude by commenting on implications for other reduced valence nickelates., Comment: 12 pages, 13 figures

Influenced by the advances in data and computing, the scientific practice increasingly involves machine learning and artificial intelligence driven methods which requires specialized capabilities at the system-, science- and service-level in addition to the conventional large-capacity supercomputing approaches. The latest distributed architectures built around the composability of data-centric applications led to the emergence of a new ecosystem for container coordination and integration. However, there is still a divide between the application development pipelines of existing supercomputing environments, and these new dynamic environments that disaggregate fluid resource pools through accessible, portable and re-programmable interfaces. New approaches for dynamic composability of heterogeneous systems are needed to further advance the data-driven scientific practice for the purpose of more efficient computing and usable tools for specific scientific domains. In this paper, we present a novel approach for using composable systems in the intersection between scientific computing, artificial intelligence (AI), and remote sensing domain. We describe the architecture of a first working example of a composable infrastructure that federates Expanse, an NSF-funded supercomputer, with Nautilus, a Kubernetes-based GPU geo-distributed cluster. We also summarize a case study in wildfire modeling, that demonstrates the application of this new infrastructure in scientific workflows: a composed system that bridges the insights from edge sensing, AI and computing capabilities with a physics-driven simulation., Comment: 18th IEEE International Conference on eScience (2022)

We incorporate new scale-intelligent models of metal-enriched star formation (\starss) with surrogate models of primordial stellar feedback (\starnet) into the astrophysics simulation code \enzo to analyze the impact of heterogeneous metal enrichment on the first galaxies. Our study includes the earliest generations of stars and the protogalaxies ($10^6 \lesssim M_v/M_\odot \lesssim 10^8$) containing them. We compare results obtained with the new methods to two common paradigms of metallicity initial conditions in simulations: ignoring the metallicity initial condition and assuming a uniform metallicity floor. We find that ignoring metallicity requirements for enriched star formation results in a redshift-dependent excess in stellar mass created and compounding errors consisting of stars forming in pristine gas. We find that using a metallicity floor causes an early underproduction of stars before $z=21$ that reverses to overproduction by $z=18$. At the final redshift, $z=14.95$, there is $\sim 20\%$ excess stellar mass with 8.6\% increased protogalaxy count. Heterogeneous metallicity initial conditions greatly increase the range of halo observables, e.g., stellar metallicity, stellar mass, and luminosity. The increased range leads to better agreement with observations of ultra-faint dwarf galaxies when compared to metallicity-floor simulations. \starnet generates protogalaxies with low stellar mass, $M_* \lesssim 10^3 M_\odot$, so may also serve to model low-luminosity protogalaxies more effectively than a metallicity floor criterion at similar spatial and mass resolution., Comment: Submitted to The Astrophysical Journal

The relaxor ferroelectric transition in Cd$_2$Nb$_2$O$_7$ is thought to be described by the unusual condensation of two $\Gamma$-centered phonon modes, $\Gamma_4^-$ and $\Gamma_5^-$. However, their respective roles have proven to be ambiguous, with disagreement between $\textit{ab initio}$ studies, which favor $\Gamma_4^-$ as the primary mode, and global crystal refinements, which point to $\Gamma_5^-$ instead. Here, we resolve this issue by demonstrating from x-ray pair distribution function measurements that locally, $\Gamma_4^-$ dominates, but globally, $\Gamma_5^-$ dominates. This behavior is consistent with the near degeneracy of the energy surfaces associated with these two distortion modes found in our own $\textit{ab initio}$ simulations. Our first-principles calculations also show that these energy surfaces are almost isotropic, providing an explanation for the numerous structural transitions found in Cd$_2$Nb$_2$O$_7$, as well as its relaxor behavior. Our results point to several candidate descriptions of the local structure, some of which demonstrate two-in/two-out behavior for Nb displacements within a given Nb tetrahedron. Although this suggests the possibility of a charge analog of spin ice in Cd$_2$Nb$_2$O$_7$, our results are more consistent with a Heisenberg-like description for dipolar fluctuations rather than an Ising one. We hope this encourages future experimental investigations of the Nb and Cd dipolar fluctuations, along with their associated mode dynamics., Comment: 9 pages, 6 figures, published in Physical Review Research

Superconductivity forms out of the condensation of Cooper pairs of electrons. The mechanism by which Cooper pairs are created in non-conventional superconductors is often elusive because experimental signatures that connect a specific pairing mechanism to the properties of superconducting state are rare. The recently discovered superconducting oxide-insulator/KTaO$_3$ interface may offer clues about its origins. Here we observe distinct dependences of the superconducting transition temperature Tc on carrier density n$_{2D}$ for electron gases formed at KTaO$_3$ (111), (001) and (110) interfaces. For the KTaO$_3$ (111) interface, a remarkable linear dependence of Tc on n$_{2D}$ is observed over a range of nearly one order of magnitude. Further, our study of the dependence of superconductivity on gate electric fields reveals the role of the interface in mediating superconductivity, which also allows for a reversible electric switching of superconductivity at T = 2 K. We found that the extreme sensitivity of superconductivity to crystallographic orientation can be explained by Cooper pairing via inter-orbital interactions induced by the inversion-breaking transverse optical (TO1) phonons and quantum confinement. This mechanism is also consistent with the dependence of Tc on n$_{2D}$ at the KTaO$_3$ (111) interface. Our study may shed light on the pairing mechanism in other superconducting quantum-paraelectrics.

We introduce the {\em Phoenix Simulations}, a suite of highly resolved cosmological simulations featuring hydrodynamics, primordial gas chemistry, Population III and II star formation and feedback, UV radiative transfer, and saved outputs with $\Delta t$=200 kyr. The suite samples 73,523 distinct primordial star formation events within \npiii distinct regions, forming \ngii second-generation enriched star clusters by $z \geq 12$ within a cumulative 156.25 Mpc$^3$ volume. The regions that lead to enriched star formation contain up to $167$ primordial stars, with 78.7 \% of regions having experienced multiple types of primordial supernovae. The extent of a primordial region, measured by its metal-rich surrounding cloud, is highly variable: the average region has radius $\sim 3$ kpc, with 95 \% confidence limit on the distribution of measured radii is $\sim 5-7$ kpc. For continuing star formation, we find that the metallicity distribution of second generation stars is similar to that of subsequent Population II star formation, with both distributions spanning hyper metal-deficient ([Z/H]$\sim-7$) to super-solar ([Z/H]$\sim0.8$). We find that the metallicity of second generation stars has no strong dependence on the configuration of progenitor supernovae, with the mean metallicity of second-generation stars having $-1.73 < $[Z/H]$<-2.15$. Finally, we create an interpretable regression model to predict the radius of metal-rich influence of \piii star systems within the first 7-18 Myr after the first light. The model predicts the radius with $R_2 \gtrsim 0.4$ and mean squared error $\leq 0.06$. The probability distribution function of predicted radii compares well to that of observed radii with Jensen-Shannon distance $\lesssim 0.2$ for all modelled times.

The discovery of superconductivity in thin films ($\sim$10 nm) of infinite-layer hole-doped NdNiO$_2$ has invigorated the field of high-temperature superconductivity research, reviving the debate over contrasting views that nickelates that are isostructural with cuprates are either (1) sisters of the high-temperature superconductors, or (2) that differences between nickel and copper at equal band filling should be the focus of attention. Each viewpoint has its merits, and each has its limitations, suggesting that such a simple picture must be superseded by a more holistic comparison of the two classes. Several recent studies have begun this generalization, raising a number of questions without suggesting any consensus. In this paper, we organize the findings of the electronic structures of $n$-layered NiO$_2$ materials ($n$= 1 to $\infty$) to outline (ir)regularities and to make comparisons with cuprates, with the hope that important directions of future research will emerge.

Identifying stars formed in pristine environments (Pop III) within the first billion years is vital to uncovering the earliest growth and chemical evolution of galaxies. Pop III galaxies, however, are typically expected to be too faint and too few in number to be detectable by forthcoming instruments without extremely long integration times and/or extreme lensing. In an environment, however, where star formation is suppressed until a halo crosses the atomic cooling limit (e.g., by a modest Lyman-Werner flux, high baryonic streaming velocities, and/or dynamical heating effects),primordial halos can form substantially more numerous and more massive stars. Some of these stars will in-turn be accreting more rapidly than they can thermally relax at any given time. Using high resolution cosmological zoom-in simulations of massive star formation in high-z halos, we find that such rapidly accreting stars produce prominent spectral features which would be detectable by {\it JWST}. The rapid accretion episodes within the halo lead to stochastic reprocessing of 0--20\% of the total stellar emission into the rest-frame optical over long timescales, a unique signature which may allow deep observations to identify such objects out to $z \sim 10-13$ using mid- and wide-band NIRCam colors alone., Comment: 8 pages, 4 figures, Astrophysical Journal Letters accepted

Higgs and Goldstone modes, well known in high energy physics, have been realized in a number of condensed matter physics contexts, including superconductivity and magnetism. The Goldstone-Higgs concept is also applicable to and gives rise to new insights on structural phase transitions. Here, we show that the Leggett mode, a collective mode observed in multi-band superconductors, also has an analog in crystallographic phase transitions. Such structural Leggett modes can occur in the phase channel as in the original work of Leggett, \href{https://doi.org/10.1143/PTP.36.901}{Prog.\ Theor.\ Phys.\ \textbf{36}, 901 (1966)}. That is, they are antiphase Goldstone modes (anti-phasons). In addition, a new collective mode can also occur in the amplitude channel, an out-of phase (antiphase) Higgs mode, that should be observable in multi-band superconductors as well. We illustrate the existence and properties of these structural Leggett modes using the example of the pyrochlore relaxor ferroelectric, Cd$_2$Nb$_2$O$_7$., Comment: 7 pages, 2 figures

We investigate applying 3D deep convolutional neural networks as fast surrogate models of the formation and feedback effects of primordial stars in hydrodynamic cosmological simulations of the first galaxies. Here, we present the surrogate model to predict localized primordial star formation; the feedback model will be presented in a subsequent paper. The star formation prediction model consists of two sub-models: the first is a 3D volume classifier that predicts which (10 comoving kpc)$^3$ volumes will host star formation, followed by a 3D Inception-based U-net voxel segmentation model that predicts which voxels will form primordial stars. We find that the combined model predicts primordial star forming volumes with high skill, with $F_1 >0.995$ and true skill score $>0.994$. The star formation is localized within the volume to $\lesssim5^3$~voxels ($\sim1.6$~comoving kpc$^3$) with $F_1>0.399$ and true skill score $>0.857$. Applied to simulations with low spatial resolution, the model predicts star forming regions in the same locations and at similar redshifts as sites in resolved full-physics simulations that explicitly model primordial star formation and feedback. When applied to simulations with lower mass resolution, we find that the model predicts star forming regions at later redshift due to delayed structure formation resulting from lower mass resolution. Our model predicts primordial star formation without halo finding, so will be useful in spatially under-resolved simulations that cannot resolve primordial star forming halos. To our knowledge, this is the first model that can predict primordial star forming regions that match highly-resolved cosmological simulations., Comment: 18 pages, 13 figures

We study the many-body electronic structure of the stoichiometric and electron-doped trilayer nickelate Pr$_4$Ni$_3$O$_8$ in comparison to that of the stoichiometric and hole-doped infinite layer nickelate NdNiO$_2$ within the framework of density functional plus dynamical mean field theory, noting that Pr$_4$Ni$_3$O$_8$ has the same nominal carrier concentration as NdNiO$_2$ doped to a level of 1/3 holes/Ni. We find that the correlated Ni-$3d$ shells of both of these low valence nickelates have similar many-body configurations with correlations dominated by the $d_{x^2-y^2}$ orbital. Additionally, when compared at the same nominal carrier concentration, the materials exhibit similar many-body electronic structures, self energies, and correlation strengths. Compared to cuprates, these materials are closer to the Mott-Hubbard regime due to their larger charge transfer energies. Moreover, doping involves the charge reservoir provided by the rare earth $5d$ electrons, as opposed to cuprates where it is realized via the oxygen $2p$ electrons.

Convolutional Neural Networks (CNNs) have demonstrated potential for the real-time analysis of data from gravitational-wave detector networks for the specific case of signals from coalescing compact-object binaries such as black-hole binaries. Unfortunately, training these CNNs requires a precise model of the target signal; they are therefore not applicable to a wide class of potential gravitational-wave sources, such as core-collapse supernovae and long gamma-ray bursts, where unknown physics or computational limitations prevent the development of comprehensive signal models. We demonstrate for the first time a CNN with the ability to detect generic signals -- those without a precise model -- with sensitivity across a wide parameter space. Our CNN has a novel structure that uses not only the network strain data but also the Pearson cross-correlation between detectors to distinguish correlated gravitational-wave signals from uncorrelated noise transients. We demonstrate the efficacy of our CNN using data from the second LIGO-Virgo observing run, and show that it has sensitivity comparable to that of the "gold-standard" transient searches currently used by LIGO-Virgo, at extremely low (order of 1 second) latency and using only a fraction of the computing power required by existing searches, allowing our models the possibility of true real-time detection of gravitational-wave transients associated with gamma-ray bursts, core-collapse supernovae, and other relativistic astrophysical phenomena., Comment: 14 pages, 7 figures

Recent high-resolution simulations of early structure formation have shown that externally enriched halos may form some of the first metal enriched stars. This study utilizes a 1 comoving Mpc$^3$ high-resolution simulation to study the enrichment process of metal-enriched halos down to $z=9.3$. Our simulation uniquely tracks the metals ejected from Population III stars, and we use this information to identify the origin of metals within metal-enriched halos. These halos show a wide range of metallicities, but we find that the source of metals for $\gtrsim$ 50\% of metal-enriched halos is supernova explosions of Population III stars occuring outside their virial radii. The results presented here indicate that external enrichment by metal-free stars dominates the enrichment process of halos with virial mass below $10^{6}\,M_\odot$ down to $z=9.3$. Despite the prevalence of external enrichment in low mass halos, Pop II stars forming due to external enrichment are rare because of the small contribution of low-mass halos to the global star formation rate combined with low metallicities towards the center of these halos resulting from metal ejecta from external sources mixing from the outside-in. The enriched stars that do form through this process have absolute metallicities below $10^{-3}\,Z_\odot$. We also find that the fraction of externally enriched halos increases with time, $\sim 90\%$ of halos that are externally enriched have $M_\mathrm{vir} < 10^6\,M_\odot$, and that pair-instability supernovae contribute the most to the enrichment of the IGM as a whole and are thus are the predominant supernova type contributing to the external enrichment of halos., Comment: 15 pages, 12 figures, Accepted for publication in ApJ

We investigate the ab-initio formation of super-massive stars in a pristine atomic cooling halo. The halo is extracted from a larger self-consistent parent simulation. The halo remains metal-free and star formation is suppressed due to a combination of dynamical heating from mergers and a mild ($J_{\rm LW} \sim 2 - 10 \ J_{21}$(z)) Lyman-Werner (LW) background. We find that more than 20 very massive stars form with stellar masses greater than 1000 M$_{\odot}$. The most massive star has a stellar mass of over 6000 M$_{\odot}$. However, accretion onto all stars declines significantly after the first $\sim$ 100 kyr of evolution as the surrounding material is accreted and the turbulent nature of the gas causes the stars to move to lower density regions. We post-process the impact of ionising radiation from the stars and find that ionising radiation is not a limiting factor when considering SMS formation and growth. Rather the birth environments are highly turbulent and a steady accretion flow is not maintained within the timescale (2 Myr) of our simulations. As the massive stars end their lives as direct collapse black holes this will seed these embryonic haloes with a population of black holes with masses between approximately 300 M$_{\odot}$ and 10,000 M$_{\odot}$. Afterwards they may sink to the centre of the haloes, eventually coalescing to form larger intermediate mass black holes whose in-situ mergers will be detectable by LISA., Comment: 13 pages. Accepted for publication in the Open Journal of Astrophysics

A recent study has revealed that the low carrier density electron gas (2DEG) induced at the interface of EuO and (111) KTaO$_3$ exhibits a broken symmetry phase with a strong in-plane anisotropy of the resistivity. We present a minimal tight binding model of this (111) 2DEG, including the large spin-orbit coupling from the Ta ions, which reveals a hexagonal Fermi surface with a highly enhanced 2$k_F$ electronic susceptibility. We argue that repulsive electronic interactions, together with a ferromagnetic EuO substrate, favor a magnetic stripe instability leading to a partially gapped Fermi surface. Such a stripe state, or its vestigial nematicity, could explain the observed transport anisotropy. We propose a $k\cdot p$ theory for the low energy $j=3/2$ states, which captures the key results from our tight-binding study, and further reveals the intertwined dipolar and octupolar modulations underlying this magnetic stripe order. We conclude by speculating on the relation of this stripe order to the superconductivity seen in this material.

The information content of crystalline materials becomes astronomical when collective electronic behavior and their fluctuations are taken into account. In the past decade, improvements in source brightness and detector technology at modern x-ray facilities have allowed a dramatically increased fraction of this information to be captured. Now, the primary challenge is to understand and discover scientific principles from big data sets when a comprehensive analysis is beyond human reach. We report the development of a novel unsupervised machine learning approach, XRD Temperature Clustering (X-TEC), that can automatically extract charge density wave (CDW) order parameters and detect intra-unit cell (IUC) ordering and its fluctuations from a series of high-volume X-ray diffraction (XRD) measurements taken at multiple temperatures. We apply X-TEC to XRD data on a quasi-skutterudite family of materials, (Ca$_x$Sr$_{1-x}$)$_3$Rh$_4$Sn$_{13}$, where a quantum critical point arising from charge order is observed as a function of Ca concentration. We further apply X-TEC to XRD data on the pyrochlore metal, Cd$_2$Re$_2$O$_7$, to investigate its two much debated structural phase transitions and uncover the Goldstone mode accompanying them. We demonstrate how unprecedented atomic scale knowledge can be gained when human researchers connect the X-TEC results to physical principles. Specifically, we extract from the X-TEC-revealed selection rule that the Cd and Re displacements are approximately equal in amplitude, but out of phase. This discovery reveals a previously unknown involvement of $5d^2$ Re, supporting the idea of an electronic origin to the structural order. Our approach can radically transform XRD experiments by allowing in-operando data analysis and enabling researchers to refine experiments by discovering interesting regions of phase space on-the-fly.

The formation of supermassive stars has generally been studied under the assumption of rapid accretion of pristine metal-free gas. Recently it was found, however, that gas enriched to metallicities up to $Z \sim 10^{-3}$ Z$_{\odot}$ can also facilitate supermassive star formation, as long as the total mass infall rate onto the protostar remains sufficiently high. We extend the analysis further by examining how the abundance of supermassive star candidate haloes would be affected if all haloes with super-critical infall rates, regardless of metallicity were included. We investigate this scenario by identifying all atomic cooling haloes in the Renaissance simulations with central mass infall rates exceeding a fixed threshold. We find that among these haloes with central mass infall rates above 0.1 M$_{\odot}$ yr$^{-1}$ approximately two-thirds of these haloes have metallicities of $Z > 10^{-3}$ Z$_{\odot}$. If metal mixing within these haloes is inefficient early in their assembly and pockets of metal-poor gas can remain then the number of haloes hosting supermassive stars can be increased by at least a factor of four. Additionally the centres of these high infall-rate haloes provide ideal environments in which to grow pre-existing black holes. Further research into the (supermassive) star formation dynamics of rapidly collapsing haloes, with inhomogeneous metal distributions, is required to gain more insight into both supermassive star formation in early galaxies as well as early black hole growth., Comment: 11 pages. Accepted for publication in the Open Journal of Astrophysics

The demonstration of superconductivity in nickelate analogues of high $T_c$ cuprates provides new perspectives on the physics of correlated electron materials. The degree to which the nickelate electronic structure is similar to that of cuprates is an important open question. This paper presents results of a comparative study of the many-body electronic structure and theoretical phase diagram of the isostructural materials CaCuO$_2$ and NdNiO$_2$. Important differences include the proximity of the oxygen $2p$ bands to the Fermi level, the bandwidth of the transition metal-derived $3d$ bands, and the presence, in NdNiO$_2$, of both Nd-derived $5d$ states crossing the Fermi level and a van Hove singularity that crosses the Fermi level as the out of plane momentum is varied. The low energy physics of NdNiO$_2$ is found to be that of a single Ni-derived correlated band, with additional accompanying weakly correlated bands of Nd-derived states that dope the Ni-derived band. The effective correlation strength of the Ni-derived $d$-band crossing the Fermi level in NdNiO$_2$ is found to be greater than that of the Cu-derived $d$-band in CaCuO$_2$, but the predicted magnetic transition temperature of NdNiO$_2$ is substantially lower than that of CaCuO$_2$ because of the smaller bandwidth.

We have revisited the electronic structure of infinite-layer RNiO$_2$ (R= La, Nd) in light of the recent discovery of superconductivity in Sr-doped NdNiO$_2$. From a comparison to their cuprate counterpart CaCuO$_2$, we derive essential facts related to their electronic structures, in particular the values for various hopping parameters and energy splittings, and the influence of the spacer cation. From this detailed comparison, we comment on expectations in regards to superconductivity. In particular, both materials exhibit a large ratio of longer-range hopping to near-neighbor hopping which should be conducive for superconductivity.

Using the Renaissance suite of simulations we examine the emergence of pristine atomic cooling haloes that are both metal-free and star-free in the early Universe. The absence of metals prevents catastrophic cooling, suppresses fragmentation, and may allow for the formation of massive black hole seeds. Here we report on the abundance of pristine atomic cooling haloes found and on the specific physical conditions that allow for the formation of these direct-collapse-black-hole (DCBH) haloes. In total in our simulations we find that 79 DCBH haloes form before a redshift of 11.6. We find that the formation of pristine atomic haloes is driven by the rapid assembly of the atomic cooling haloes with mergers, both minor and/or major, prior to reaching the atomic cooling limit a requirement. However, the ability of assembling haloes to remain free of (external) metal enrichment is equally important and underlines the necessity of following the transport of metals in such simulations. The candidate DCBH hosting haloes we find, have been exposed to mean Lyman-Werner radiation fields of J$_{LW}$ $\sim$ 1 J$_{21}$ and typically lie at least 10 kpc (physical) from the nearest massive galaxy. Growth rates of the haloes reach values of greater than 10$^7$ M$_{\odot}$ per unit redshift, leading to significant dynamical heating and the suppression of efficient cooling until the halo crosses the atomic cooling threshold. Finally, we also find five synchronised halo candidates where pairs of pristine atomic cooling haloes emerge that are both spatially and temporally synchronised., Comment: Minor updates after acceptance by MNRAS

Based on first-principles calculations, the evolution of the electronic and magnetic properties of transition metal dihalides MX$_2$ (M= V, Mn, Fe, Co, Ni; X = Cl, Br, I) is analyzed from the bulk to the monolayer limit. A variety of magnetic ground states is obtained as a result of the competition between direct exchange and superexchange. The results predict that FeX$_2$, NiX$_2$, CoCl$_2$ and CoBr$_2$ monolayers are ferromagnetic insulators with sizable magnetocrystalline anisotropies. This makes them ideal candidates for robust ferromagnetism at the single layer level. Our results also highlight the importance of spin-orbit coupling to obtain the correct ground state.

The origin of supermassive black holes (SMBHs) that inhabit the centers of massive galaxies is largely unconstrained. Remnants from supermassive stars (SMSs) with masses around 10,000 solar masses provide the ideal seed candidates, known as direct collapse black holes. However, their very existence and formation environment in the early Universe are still under debate, with their supposed rarity further exacerbating the problem of modeling their ab-initio formation. SMS models have shown that rapid collapse, with an infall rate above a critical value, in metal-free haloes is a requirement for the formation of a proto-stellar core which will then form an SMS. Using a radiation hydrodynamics simulation of early galaxy formation, we show the natural emergence of metal-free haloes both massive enough, and with sufficiently high infall rates, to form an SMS. We find that haloes that are exposed to both a Lyman-Werner intensity of J_LW ~ 3 J_21 and that undergo at least one period of rapid growth early in their evolution are ideal cradles for SMS formation. This rapid growth induces substantial dynamical heating, amplifying the existing Lyman-Werner suppression originating from a group of young galaxies 20 kiloparsecs away. Our results strongly indicate that structure formation dynamics, rather than a critical Lyman-Werner (LW) flux, may be the main driver of massive black hole formation in the early Universe. We find that massive black hole seeds may be much more common in overdense regions of the early Universe than previously considered with a comoving number density up to 10^-3 Mpc^-3., Comment: To appear in Nature on 23 Jan 2019 for Advanced Online Publication. Authors' latest version. 13 pages in Nature print format, 13 figures, 1 table

We review two decades of progress using the Enzo hydrodynamic cosmology code to simulate the Cosmic Dawn, a period of roughly 1 billion years beginning with the formation of the first stars in the universe, and ending with cosmic reionization. Using simulations of increasing size and complexity, working up in length and mass scale and to lower redshifts, a connected narrative is built up covering the entire epoch. In the first part of the paper, we draw on results we and our collaborators have achieved using the Enzo cosmological adaptive mesh refinement code. Topics include the formation of Population III stars, the transition to Population II star formation, chemical enrichment, the assembly of the first galaxies, their high redshift galaxy statistics, and their role in reionization. In the second part of the paper we highlight physical difficulties that will require new, more physically complex simulations to address, drawing from a broader literature survey. We discuss the healthy interplay between self-consistent numerical simulations and analytic and semi-analytic approaches. Finally, we discuss technical advances in hardware and software that will enable a new class of more realistic simulations to be carried out on exascale supercomputers in the future., Comment: 48 pages, 12 figures. Accepted for publication in Frontiers of Astronomy and Space Sciences

Astrophysical and cosmological phenomena involve a large variety of physical processes, and can encompass an enormous range of scales. To effectively investigate these phenomena computationally, applications must similarly support modeling these phenomena on enormous ranges of scales; furthermore, they must do so efficiently on high-performance computing platforms of ever-increasing parallelism and complexity. We describe Enzo-P, a Petascale redesign of the ENZO adaptive mesh refinement astrophysics and cosmology application, along with Cello, a reusable and scalable adaptive mesh refinement software framework, on which Enzo-P is based. Cello's scalability is enabled by the Charm++ Parallel Programming System, whose data-driven asynchronous execution model is ideal for taking advantage of the available but irregular parallelism in adaptive mesh refinement-based applications. We present scaling results on the NSF Blue Waters supercomputer, and outline our future plans to bring Enzo-P to the Exascale Era by targeting highly-heterogeneous accelerator-based platforms., Comment: 5 pages, 6 figures, submitted to SC18 workshop: PAW-ATM

The formation of stellar mass black holes from the remnants of Population III stars provides a source of initial black hole seeds with the potential to grow into intermediate or, in rare cases, possibly supermassive black holes. We use the Renaissance simulation suite to follow the growth of over 15,000 black holes born into mini-haloes in the early Universe. We compute the evolution of the black holes by post-processing individual remnant Population III star particles in the Renaissance simulation snapshots. The black holes populate haloes from 10$^{6}$ M$_{\odot}$ up to 10$^{9}$ M$_{\odot}$. We find that all of the black holes display very inefficient growth. On average the black holes increase their initial mass by a factor 10$^{-5}$, with the most active black holes increasing their mass by approximately 10%. Only a single black hole experiences any period of super-Eddington accretion, but the duration is very short and not repeated. Furthermore, we find no correlation of black hole accretion with halo mass in the mass range sampled. Within most haloes, we identify clumps of cool, dense gas for which accretion rates would be high, but instances of black holes encountering these clumps are rare and short-lived. Star formation competes with black hole growth by consuming available gas and driving down accretion rates through feedback. We conclude that the black holes born from Population III remnants do not form a significant population of intermediate mass black holes in the early Universe and will need to wait until later times to undergo significant accretion, if at all., Comment: 12 pages, 9 figures, accepted for publication in MNRAS