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At least 19 records

Pressure-induced volume collapse and structural phase transitions in SrRuO{sub 3}

We report on the low temperature (6 K) structural properties of SrRuO{sub 3} under quasi-hydrostatic pressure studied by synchrotron X-ray powder diffraction in a diamond anvil cell. First principle calculations predict a first-order perovskite (Pv) to post-perovskite (pPv) phase transition at ∼40 GPa accompanied by a 1.9% volume collapse. Our results rule out the occurrence of a pPv phase to 54 GPa. Instead, we find a Pv to monoclinic to triclinic sequence of phase transitions. The monoclinic to triclinic phase transition at ∼38 GPa is accompanied by a 3.5% volume collapse. X-ray absorption spectroscopy indicates that this volume collapse is not accompanied by a change in Ru valence state. Our results should help guide improvements to theoretical treatments of this and other correlated d-electron systems based on density functional theory. - Graphical abstract: Unit cell volume as a function of pressure (T=6 K). Black squares and red circles correspond to Ne and He pressure media, respectively. Blue dashed lines are fit to the data before the volume collapse using a second-order Birch–Murnaghan equation of state excluding (lower curve) and including (upper curve) neutron diffraction data for the low temperature, ambient pressure volume. Dashed lines denote structural phase boundaries. Display Omitted - Highlights: • Crystal structure of SrRuO3 was studied under high pressure up to 54 GPa. • Pv to monoclinic to triclinic sequence of phase transitions was observed. • Transition to triclinic phase at ∼38 GPa is accompanied by a 3.5% volume collapse. • Volume collapse in SrRuO3 is not driven by a change in Ru valence state. • Pv-to-pPv phase transition predicted by DFT at 40 Gpa is not observed up to 54 GPa.

36 MATERIALS SCIENCE↗

Pressure-Driven Sequential Lattice Collapse and Magnetic Collapse in Transition-Metal-Intercalated Compounds Fe x NbS 2

Volume collapse under high pressure is an intriguing phenomenon involving subtle interplay between lattice, spin, and charge. The two most important causes of volume collapse are lattice collapse (low-density to high-density) and magnetic collapse (high-spin to low-spin). Herein we report the pressure-driven sequential volume collapses in partially intercalated Fe x NbS 2 (x = 1/4, 1/3, 1/2, 2/3). Because of the distinct interlayer atomic occupancy, the low-iron-content samples exhibit both lattice and magnetic collapses under compression, whereas the high-iron-content samples exhibit only one magnetic collapse. Therefore, theoretical calculations indicate that the low-pressure volume collapses for x = 1/4 and x = 1/3 are lattice collapses, and the high-pressure volume collapses for all four samples are magnetic collapses. The magnetic collapse involving the high-spin to low-spin crossover of Fe2+ has also been verified by in situ X-ray emission measurements. Integrating two distinct volume collapses into one material provides a rare playground of lattice, spin, and charge.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

INTERPLAY OF NEUTRINO OPACITIES IN CORE-COLLAPSE SUPERNOVA SIMULATIONS

We have conducted a series of numerical experiments using spherically symmetric, general relativistic, neutrino radiation hydrodynamics with the code Agile-BOLTZTRAN to examine the effects of modern neutrino opacities on the development of supernova simulations. We test the effects of opacities by removing opacities or by undoing opacity improvements for individual opacities and groups of opacities. We find that improvements to electron capture (EC) on nuclei, namely EC on an ensemble of nuclei using modern nuclear structure models rather than the simpler independent-particle approximation (IPA) for EC on a mean nucleus, plays the most important role during core collapse of all tested neutrino opacities. Low-energy neutrinos emitted by modern nuclear EC preferentially escape during collapse without the energy downscattering on electrons required to enhance neutrino escape and deleptonization for the models with IPA nuclear EC. During shock breakout the primary influence on the emergent neutrinos arises from non-isoenergetic scattering (NIS) on electrons. For the accretion phase, NIS on free nucleons and pair emission by e {sup +} e {sup -} annihilation have the largest impact on the neutrino emission and shock evolution. Other opacities evaluated, including nucleon-nucleon bremsstrahlung and especially neutrino-positron scattering, have little measurable impact on neutrino emission or shock dynamics. Modern treatments of nuclear EC, e {sup +} e {sup -}-annihilation pair emission, and NIS on electrons and free nucleons are critical elements of core-collapse simulations of all dimensionality.

79 ASTRONOMY AND ASTROPHYSICS↗

HYPERCRITICAL ACCRETION, INDUCED GRAVITATIONAL COLLAPSE, AND BINARY-DRIVEN HYPERNOVAE

The induced gravitational collapse (IGC) paradigm has been successfully applied to the explanation of the concomitance of gamma-ray bursts (GRBs) with supernovae (SNe) Ic. The progenitor is a tight binary system composed of a carbon-oxygen (CO) core and a neutron star (NS) companion. The explosion of the SN leads to hypercritical accretion onto the NS companion, which reaches the critical mass, hence inducing its gravitational collapse to a black hole (BH) with consequent emission of the GRB. The first estimates of this process were based on a simplified model of the binary parameters and the Bondi-Hoyle-Lyttleton accretion rate. We present here the first full numerical simulations of the IGC phenomenon. We simulate the core-collapse and SN explosion of CO stars to obtain the density and ejection velocity of the SN ejecta. We follow the hydrodynamic evolution of the accreting material falling into the Bondi-Hoyle surface of the NS all the way up to its incorporation in the NS surface. The simulations go up to BH formation when the NS reaches the critical mass. For appropriate binary parameters, the IGC occurs in short timescales ∼10{sup 2}-10{sup 3} s owing to the combined effective action of the photon trapping and the neutrino cooling near the NS surface. We also show that the IGC scenario leads to a natural explanation for why GRBs are associated only with SNe Ic with totally absent or very little helium.

79 ASTRONOMY AND ASTROPHYSICS↗

Heterogeneity and Hysteresis in the Polymer Collapse of Single Core–Shell Stimuli-Responsive Plasmonic Nanohybrids

Broad application of polymeric stimuli-responsive smart nanohybrids requires understanding the mechanisms governing active control. Ensemble techniques have identified inhomogeneous polymer collapse in microgels that potentially arise from heterogeneous interchain interactions and differences in core size. A single-particle examination would establish the influence of core size and internal polymer network heterogeneity on local interactions that contribute to the observed inhomogeneous polymer collapse dynamics of nanohybrids. Using single-particle dark-field spectroscopy, we investigated the complex polymer collapse profiles of core–shell plasmonic nanohybrids comprising thermoresponsive poly(N-isopropylacrylamide) (pNIPAM)-encapsulated gold nanorods (AuNRs). We report that the polymer collapse behavior was independent of the core size. For thinner polymer shells, we observed hysteresis in the collapse of AuNR@pNIPAMs, likely related to local pNIPAM aggregation due to interchain hydrogen bonding. For thicker polymer shells, we observed a broad polymer collapse distribution that we attributed to a two-step phase transition that arises from a polymer network density gradient. Furthermore, our single-particle approach relates the internal heterogeneity of the polymer network of nanohybrids to the mechanisms underlying heterogeneous phase transitions that traditional, ensemble-averaged approaches are unable to discern.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Essential ingredients in core-collapse supernovae

Carrying 10{sup 44} joules of kinetic energy and a rich mix of newly synthesized atomic nuclei, core-collapse supernovae are the preeminent foundries of the nuclear species which make up our solar system and ourselves. Signaling the inevitable death of a massive star, and the birth of a neutron star or black hole, core-collapse supernovae combine physics over a wide range in spatial scales, from kilometer-sized hydrodynamic motions (eventually growing to gigameter scale) down to femtometer-scale nuclear reactions. We will discuss our emerging understanding of the convectively-unstable, neutrino-driven explosion mechanism, based on increasingly realistic neutrino radiation hydrodynamic simulations that include progressively better nuclear and particle physics. Multi-dimensional models with spectral neutrino transport from several research groups, which slowly develop successful explosions for a range of progenitors, have recently motivated changes in our understanding of the neutrino reheating mechanism. In a similar fashion, improvements in nuclear physics, most notably explorations of weak interactions on nuclei and the nuclear equation of state, continue to refine our understanding of the births of neutron stars and the supernovae that result. Recent progress on both the macroscopic and microscopic effects that affect core-collapse supernovae are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗

Fast-rising blue optical transients and AT2018cow following electron-capture collapse of merged white dwarfs

We suggest that fast-rising blue optical transients (FBOTs) and the brightest event of the class, AT2018cow, result from an electron-capture collapse to a neutron star following the merger of a massive ONeMg white dwarf (WD) with another WD. Two distinct evolutionary channels lead to the disruption of the less-massive WD during the merger and the formation of a shell-burning non-degenerate star incorporating the ONeMg core. During the shell-burning stage, a large fraction of the envelope is lost to the wind, while mass and angular momentum are added to the core. As a result, the electron-capture collapse occurs with a small envelope mass, after ~10 2 –10 4 yr. During the formation of a neutron star, as little as |${\sim } 10^{-2} \, \mathrm{M}_\odot$| of the material is ejected at the bounce-off with mildly relativistic velocities and total energy of about a few 10 50 erg. This ejecta becomes optically thin on a time-scale of days – this is the FBOT. During the collapse, the neutron star is spun up and the magnetic field is amplified. The ensuing fast magnetically dominated relativistic wind from the newly formed neutron star shocks against the ejecta, and later against the wind. The radiation-dominated forward shock produces the long-lasting optical afterglow, while the termination shock of the relativistic wind produces the high-energy emission in a manner similar to pulsar wind nebulae. If the secondary WD was of the DA type, the wind will likely have |${\sim } 10^{-4} \, \mathrm{M}_\odot$| of hydrogen; this explains the appearance of hydrogen late in the afterglow spectrum. The model explains many of the puzzling properties of FBOTs/AT2018cow: host galaxies, a fast and light anisotropic ejecta producing a bright optical peak, afterglow high-energy emission of similar luminosity to the optical, and late infrared features.

Astronomy & Astrophysics↗

Inelastic Neutron Scattering Study of a Nonmagnetic Collapsed Tetragonal Phase in Nonsuperconducting CaFe2As2: Evidence of the Impact of Spin Fluctuations on Superconductivity in the Iron-Arsenide Compounds

The relationship between antiferromagnetic spin fluctuations and superconductivity has become a central topic of research in studies of superconductivity in the iron pnictides. We present unambiguous evidence of the absence of magnetic fluctuations in the nonsuperconducting collapsed tetragonal phase of CaFe2As2 via inelastic neutron scattering time-of-flight data, which is consistent with the view that spin fluctuations are a necessary ingredient for unconventional superconductivity in the iron pnictides. We demonstrate that the collapsed tetragonal phase of CaFe2As2 is nonmagnetic, and discuss this result in light of recent reports of high-temperature superconductivity in the collapsed tetragonal phase of closely related compounds.

36 MATERIALS SCIENCE↗

Gravitational wave extraction in simulations of rotating stellar core collapse

We perform simulations of general relativistic rotating stellar core collapse and compute the gravitational waves (GWs) emitted in the core-bounce phase of three representative models via multiple techniques. The simplest technique, the quadrupole formula (QF), estimates the GW content in the spacetime from the mass-quadrupole tensor only. It is strictly valid only in the weak-field and slow-motion approximation. For the first time, we apply GW extraction methods in core collapse that are fully curvature based and valid for strongly radiating and highly relativistic sources. These techniques are not restricted to weak-field and slow-motion assumptions. We employ three extraction methods computing (i) the Newman-Penrose (NP) scalar {Psi}{sub 4}, (ii) Regge-Wheeler-Zerilli-Moncrief master functions, and (iii) Cauchy-characteristic extraction (CCE) allowing for the extraction of GWs at future null infinity, where the spacetime is asymptotically flat and the GW content is unambiguously defined. The latter technique is the only one not suffering from residual gauge and finite-radius effects. All curvature-based methods suffer from strong nonlinear drifts. We employ the fixed-frequency integration technique as a high-pass waveform filter. Using the CCE results as a benchmark, we find that finite-radius NP extraction yields results that agree nearly perfectly in phase, but differ in amplitude by {approx}1%-7% at core bounce, depending on the model. Regge-Wheeler-Zerilli-Moncrief waveforms, while, in general, agreeing in phase, contain spurious high-frequency noise of comparable amplitudes to those of the relatively weak GWs emitted in core collapse. We also find remarkably good agreement of the waveforms obtained from the QF with those obtained from CCE. The results from QF agree very well in phase and systematically underpredict peak amplitudes by {approx}5%-11%, which is comparable to the NP results and is certainly within the uncertainties associated with core collapse physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

On the induced gravitational collapse scenario of gamma-ray bursts associated with supernovae

Following the induced gravitational collapse (IGC) paradigm of gamma-ray bursts (GRBs) associated with type Ib/c supernovae, we present numerical simulations of the explosion of a carbon–oxygen (CO) core in a binary system with a neutron-star (NS) companion. The supernova ejecta trigger a hypercritical accretion process onto the NS thanks to a copious neutrino emission and the trapping of photons within the accretion flow. We show that temperatures of 1–10 MeV develop near the NS surface, hence electron–positron annihilation into neutrinos becomes the main cooling channel leading to accretion rates of 10{sup −9}–10{sup −1} M{sub ⊙} s{sup −1} and neutrino luminosities of 10{sup 43}–10{sup 52} erg s{sup −1} (the shorter the orbital period the higher the accretion rate). We estimate the maximum orbital period, P{sub max}, as a function of the NS initial mass, up to which the NS companion can reach by hypercritical accretion the critical mass for gravitational collapse leading to black hole formation. We then estimate the effects of the accreting and orbiting NS companion onto a novel geometry of the supernova ejecta density profile. We present the results of a 1.4×10{sup 7} particle simulation which show that the NS induces accentuated asymmetries in the ejecta density around the orbital plane. We elaborate on the observables associated with the above features of the IGC process. We apply this framework to specific GRBs: we find that X-ray flashes (XRFs) and binary-driven hypernovae are produced in binaries with P>P{sub max} and P<P{sub max}, respectively. We analyze in detail the case of XRF 060218.

79 ASTRONOMY AND ASTROPHYSICS↗

Triggering Collapse of the Presolar Dense Cloud Core and Injecting Short-lived Radioisotopes with a Shock Wave. V. Nonisothermal Collapse Regime

Recent meteoritical analyses support an initial abundance of the short-lived radioisotope (SLRI) {sup 60}Fe that may be high enough to require nucleosynthesis in a core-collapse supernova, followed by rapid incorporation into primitive meteoritical components, rather than a scenario where such isotopes were inherited from a well-mixed region of a giant molecular cloud polluted by a variety of supernovae remnants and massive star winds. This paper continues to explore the former scenario, by calculating three-dimensional, adaptive mesh refinement, hydrodynamical code (FLASH 2.5) models of the self-gravitational, dynamical collapse of a molecular cloud core that has been struck by a thin shock front with a speed of 40 km s{sup −1}, leading to the injection of shock front matter into the collapsing cloud through the formation of Rayleigh–Taylor fingers at the shock–cloud intersection. These models extend the previous work into the nonisothermal collapse regime using a polytropic approximation to represent compressional heating in the optically thick protostar. The models show that the injection efficiencies of shock front materials are enhanced compared to previous models, which were not carried into the nonisothermal regime, and so did not reach such high densities. The new models, combined with the recent estimates of initial {sup 60}Fe abundances, imply that the supernova triggering and injection scenario remains a plausible explanation for the origin of the SLRIs involved in the formation of our solar system.

79 ASTRONOMY AND ASTROPHYSICS↗

HIERARCHICAL GRAVITATIONAL FRAGMENTATION. I. COLLAPSING CORES WITHIN COLLAPSING CLOUDS

We investigate the Hierarchical Gravitational Fragmentation scenario through numerical simulations of the prestellar stages of the collapse of a marginally gravitationally unstable isothermal sphere immersed in a strongly gravitationally unstable, uniform background medium. The core developes a Bonnor–Ebert (BE)-like density profile, while at the time of singularity (the protostar) formation the envelope approaches a singular-isothermal-sphere (SIS)-like r{sup −2} density profile. However, these structures are never hydrostatic. In this case, the central flat region is characterized by an infall speed, while the envelope is characterized by a uniform speed. This implies that the hydrostatic SIS initial condition leading to Shu's classical inside-out solution is not expected to occur, and therefore neither should the inside-out solution. Instead, the solution collapses from the outside-in, naturally explaining the observation of extended infall velocities. The core, defined by the radius at which it merges with the background, has a time-variable mass, and evolves along the locus of the ensemble of observed prestellar cores in a plot of M/M{sub BE} versus M, where M is the core's mass and M{sub BE} is the critical BE mass, spanning the range from the “stable” to the “unstable” regimes, even though it is collapsing at all times. We conclude that the presence of an unstable background allows a core to evolve dynamically from the time when it first appears, even when it resembles a pressure-confined, stable BE-sphere. The core can be thought of as a ram-pressure confined BE-sphere, with an increasing mass due to the accretion from the unstable background.

79 ASTRONOMY AND ASTROPHYSICS↗

Elastic Properties across the y→α Volume Collapse in Cerium versus Pressure and Temperature

Here, the longitudinal and transverse sound speeds, c L and c T , of polycrystalline cerium were measured isothermally vs pressure up to the critical temperature across the iso-structural γ-α volume collapse (VC) phase transition. We deduce values for the adiabatic bulk modulus BS, the shear modulus G = ρc T 2 , the Poisson’s ratio ν and the Debye temperature, θ D (p). We find that the elastic constant C 12 is solely responsible for the decrease of B S with pressure towards the VC at RT. With increasing temperature, the lattice contribution ΔS vib (γ→α) to the total entropy change across the VC decreases more rapidly to zero than the total entropy itself suggesting that another mechanism, possibly disorder, assists in stabilizing the γ-phase entropically against the α-phase. Also, with increasing temperature, the Poisson’s ratio becomes negative near the VC transition, meaning that cerium metal takes on auxetic characteristics over a small pressure range. At the critical point the Poisson’s ratio ought to be -1, since the isothermal bulk modulus vanishes and the shear modulus remains nonzero.

36 MATERIALS SCIENCE↗

Hotspot formation due to shock-induced pore collapse in 1,3,5,7-tetranitro-1,3,5,7-tetrazoctane (HMX): Role of pore shape and shock strength in collapse mechanism and temperature

The shock to detonation transition in heterogeneous high energy density solids starts with the spatial localization of mechanical energy into so-called hotspots that form due to the interaction between the leading wave and microstructural features and defects. We used large-scale molecular dynamics to characterize the hotspots resulting from the shock-induced collapse of cylindrical voids and elongated cracks focusing on the effect of shock strength, defect shape, and size. The temperature fields resulting from the collapse of cracks elongated along the shock direction show significantly higher sensitivity to both shock strength and size than cylindrical voids. Cracks 80 nm in length result in temperatures almost three times higher than voids 80 nm in diameter, reaching values corresponding to the ideal case of isentropic recompression of a gas. The molecular dynamics trajectories reveal the atomic origin of this contrasting behavior. While circular voids undergo a transition from viscoelastic pore collapse to a hydrodynamic regime with increasing shock strength, shock focusing in elongated cracks results in jetting and vaporization which, upon recompression, leads to increased heating.

36 MATERIALS SCIENCE↗

THERMAL AND CHEMICAL EVOLUTION OF COLLAPSING FILAMENTS

Intergalactic filaments form the foundation of the cosmic web that connect galaxies together, and provide an important reservoir of gas for galaxy growth and accretion. Here we present very high resolution two-dimensional simulations of the thermal and chemical evolution of such filaments, making use of a 32 species chemistry network that tracks the evolution of key molecules formed from hydrogen, oxygen, and carbon. We study the evolution of filaments over a wide range of parameters including the initial density, initial temperature, strength of the dissociating UV background, and metallicity. In low-redshift, Z Almost-Equal-To 0.1 Z{sub Sun} filaments, the evolution is determined completely by the initial cooling time. If this is sufficiently short, the center of the filament always collapses to form a dense, cold core containing a substantial fraction of molecules. In high-redshift, Z = 10{sup -3} Z{sub Sun} filaments, the collapse proceeds much more slowly. This is mostly due to the lower initial temperatures, which lead to a much more modest increase in density before the atomic cooling limit is reached, making subsequent molecular cooling much less efficient. Finally, we study how the gravitational potential from a nearby dwarf galaxy affects the collapse of the filament and compare this to NGC 5253, a nearby starbursting dwarf galaxy thought to be fueled by the accretion of filament gas. In contrast to our fiducial case, a substantial density peak forms at the center of the potential. This peak evolves faster than the rest of the filament due to the increased rate at which chemical species form and cooling occurs. We find that we achieve similar accretion rates as NGC 5253 but our two-dimensional simulations do not recover the formation of the giant molecular clouds that are seen in radio observations.

79 ASTRONOMY AND ASTROPHYSICS↗

Advancements in modeling self-consistent core collapse supernovae with CHIMERA

We discuss advancements in modeling core-collapse supernovae with our code CHIMERA. We describe the status and details of our tracer particle method and its uses for post-processing nucleosynthesis and as a tool for broad core-collapse supernova (CCSN) model analyses. We also introduce our progress towards expanding a nuclear reaction network beyond the alphanetwork for the purpose of accurate in-situ nucleosynthesis, not only for core-collapse supernovae (CCSNe) in general, but for a special sub-class of supernovae called electron capture supernovae (ECSNe), which stem from progenitors stars between 8 and 10 M⊙. By using an advanced nuclear reaction network, our 2D and 3D code will allow for unparalleled studies of CCSNe and ECSNe ejecta.

79 ASTRONOMY AND ASTROPHYSICS↗