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Equity for women and underrepresented minorities in STEM: Graduate experiences and career plans in chemistry

Significance On June 10, 2020, as part of the Black Lives Matter movement, scientists in the United States and throughout the world paused to consider how systematic racism affects the scientific enterprise. As a result, many academic departments are now assessing policies and practices that may contribute to this situation. This paper provides evidence of the nature of inequities related to race–ethnicity and gender in graduate school experiences and career plans of PhD students in one science, technology, engineering, and math (STEM) discipline, chemistry. The results can help promote understanding of the problems and guide efforts toward equity within STEM and, potentially, other academic areas. In turn, these changes can strengthen the scientific enterprise and the well-being of society.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evidence for nodal superconductivity in infinite-layer nickelates

Infinite-layer nickelates present a new family of potential unconventional superconductors. A key open question is the superconducting pairing symmetry. We present low-temperature measurements of the magnetic penetration depth in optimally doped La 0.8 Sr 0.2 NiO 2 , Pr 0.8 Sr 0.2 NiO 2 , Nd 0.8 Sr 0.2 NiO 2 , and Nd 0.7875 Sr 0.2125 NiO 2 . For La- and Pr-nickelates, the superfluid density shows a quadratic temperature dependence, indicating nodal superconductivity in the presence of disorder. Nd-nickelate exhibits complex low-temperature behavior associated with Nd 4f magnetism, which precludes a direct measure of the nodal structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Equation of state for Hf, Ta, W, Re, Os, Ir, Pt, and Au to multi-terapascal pressures from density-functional theory

We present the zero-temperature equation of state (pressure dependence of compression) and phase stability predictions for the 5d-transition metals obtained from all-electron density-functional theory (DFT) calculations. The results compare favorably with experiments but extend beyond current experimental capabilities to 10 TPa. Our study reveals phase changes that are explained from the calculated electronic structure. The cubic face-centered and body-centered structures (fcc and bcc), together with two-, three-, and four-layered hexagonal structures, play major roles under compression. The results’ dependence on the electron exchange and correlation in the DFT approach is investigated, and it is shown that the impact of the choice, while significant at lower pressures, diminishes in the terapascal regime. We further illustrate that the normal parabolic trends in atomic volume and bulk modulus with atomic number, due to the occupation of bonding and anti-bonding 5d states, break down at TPa pressures, suggesting drastically different chemical bonding at these extreme conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

FORECASTING COSMOLOGICAL PARAMETER CONSTRAINTS FROM NEAR-FUTURE SPACE-BASED GALAXY SURVEYS

The next generation of space-based galaxy surveys is expected to measure the growth rate of structure to a level of about one percent over a range of redshifts. The rate of growth of structure as a function of redshift depends on the behavior of dark energy and so can be used to constrain parameters of dark energy models. In this work, we investigate how well these future data will be able to constrain the time dependence of the dark energy density. We consider parameterizations of the dark energy equation of state, such as XCDM and {omega}CDM, as well as a consistent physical model of time-evolving scalar field dark energy, {phi}CDM. We show that if the standard, specially flat cosmological model is taken as a fiducial model of the universe, these near-future measurements of structure growth will be able to constrain the time dependence of scalar field dark energy density to a precision of about 10%, which is almost an order of magnitude better than what can be achieved from a compilation of currently available data sets.

79 ASTRONOMY AND ASTROPHYSICS↗

FORECASTS ON THE DARK ENERGY AND PRIMORDIAL NON-GAUSSIANITY OBSERVATIONS WITH THE TIANLAI CYLINDER ARRAY

The Tianlai experiment is dedicated to the observation of large-scale structures (LSS) by the 21 cm intensity mapping technique. In this paper, we make forecasts concerning its ability to observe or constrain the dark energy parameters and the primordial non-Gaussianity. From the LSS data, one can use the baryon acoustic oscillation (BAO) and growth rate derived from the redshift space distortion (RSD) to measure the dark energy density and equation of state. The primordial non-Gaussianity can be constrained either by looking for scale-dependent bias in the power spectrum, or by using the bispectrum. Here, we consider three cases: the Tianlai cylinder array pathfinder that is currently being built, an upgrade of the Pathfinder Array with more receiver units, and the full-scale Tianlai cylinder array. Using the full-scale Tianlai experiment, we expect σ{sub w{sub 0}}∼0.082 and σ{sub w{sub a}}∼0.21 from the BAO and RSD measurements, σ{sub f{sub N{sub L}{sup local}}}∼14 from the power spectrum measurements with scale-dependent bias, and σ{sub f{sub N{sub L}{sup local}}}∼22 and σ{sub f{sub N{sub L}{sup equil}}}∼157 from the bispectrum measurements.

79 ASTRONOMY AND ASTROPHYSICS↗

Superconducting low-beta Nb 3 Sn cavity for ATLAS and future ion accelerators

We report on a Nb 3 Sn-coated low-beta superconducting radio frequency (RF) cavity intended for accelerating ions. We aim to apply the cavity in ATLAS, our Argonne National Laboratory user facility for nuclear physics studies with ion beams in the energy range of 5–20 MeV u −1 . The Nb 3 Sn-coated cavity, a 145 MHz quarter-wave optimized for ions moving with velocity β = $v/c$ = 0.08 exhibits an order-of-magnitude reduction in RF losses into helium at 4.4 K compared to a superconducting niobium (Nb) cavity at the same frequency and temperature. Experimentally measured fields are among the highest to date for any Nb 3 Sn-coated cavity, reaching a peak surface magnetic field of 105 mT. We also present a practical solution to the problem of cavity frequency tuning. Tuning by mechanical deformation has been a challenge with Nb 3 Sn due to its brittle nature, however, using a set of techniques tailored to the properties of thin-film Nb 3 Sn on Nb, we can repeatably tune the cavity to the ATLAS master clock frequency after it is cooled, while maintaining the excellent performance characteristics. The same Nb 3 Sn cavity technology offers broad benefits for future ion accelerators.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Minimal cyclic behavior in sheared amorphous solids

Although jammed packings of soft spheres exist in potential energy landscapes with a vast number of minima, when subjected to cyclic shear they may revisit the same configurations repeatedly. Simple hysteretic spin models, in which particle rearrangements are represented by interacting spin flips called hysterons, capture many features of this periodic behavior. Yet it has been unclear to what extent individual rearrangements can be described by such binary objects and how such objects interact with one another. Using a particularly sensitive algorithm, we identify rearrangements in simulated jammed packings and select pairs of rearrangements that undo one another to create periodic cyclic behavior. We find that the rearrangement pairs surprisingly persist down to the smallest increments in strain, even in the smallest systems we can study. We explore the statistics of these rearrangement pairs and find that there is a relation between the amount of hysteresis and the energy drop and mean-square displacement of the particles; these results are inconsistent with the scaling found in models that treat rearrangements as localized buckling events. Finally, our analysis shows that there is no clean distinction between the particle motions that represent the identity of a single, individual rearrangement and the particle motions that lead to interactions between separated rearrangements or hysterons. These results offer insight into how complex systems such as amorphous solids can reach a limit cycle.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Symmetry breaking during low-temperature domain formation in micron-sized magnetite crystals

We report the results of synchrotron Bragg Coherent x-ray Diffraction Imaging (BCDI) experiments to investigate domain formation in a micron-sized magnetite crystal undergoing the Verwey transition at low temperature. A strong splitting of the measured 311 Bragg reflection was observed in the low-temperature phase, indicating the formation of domains. BCDI revealed pronounced strain distributions, characterized by a clear layered stripe domain structure in real-space. Stripes were seen only along the [001] crystallographic direction, normal to the substrate surface direction, breaking the symmetry of the cubic high-temperature phase. It is argued that other domain directions were suppressed by the sample mounting orientation. More surprisingly, only a single domain orientation was observed, suggesting an additional symmetry-breaking influence originating from the shape of the crystal. Gaining insight into how thermal effects induce the formation of layered or striped phases offers a valuable framework for understanding the development of mesoscopic domains and strain patterns in functional materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Observational constraints on scalar field models of dark energy with barotropic equation of state

We constrain the parameters of dynamical dark energy in the form of a classical or tachyonic scalar field with barotropic equation of state jointly with other cosmological parameters using the following datasets: the CMB power spectra from WMAP7, the baryon acoustic oscillations in the space distribution of galaxies from SDSS DR7, the power spectrum of luminous red galaxies from SDSS DR7 and the light curves of SN Ia from 2 different compilations: Union2 (SALT2 light curve fitting) and SDSS (SALT2 and MLCS2k2 light curve fittings). It has been found that the initial value of dark energy equation of state parameter is constrained very weakly by most of the data while the other cosmological parameters are well constrained: their likelihoods and posteriors are similar, their forms are close to Gaussian (or half-Gaussian) and the confidence ranges are narrow. The most reliable determinations of the best-fit value and 1σ confidence range for the initial value of the dark energy equation of state parameter are obtained from the combined datasets including SN Ia data from the full SDSS compilation with MLCS2k2 light curve fitting. In all such cases the best-fit value of this parameter is lower than the value of corresponding parameter for current epoch. Such dark energy loses its repulsive properties and in future the expansion of the Universe changes into contraction. We also perform a forecast for the Planck mock data and show that they narrow significantly the confidence ranges of cosmological parameters values, moreover, their combination with SN SDSS compilation with MLCS2k2 light curve fitting may exclude the fields with initial equation of state parameter > −0.1 at 2σ confidence level.

79 ASTRONOMY AND ASTROPHYSICS↗

A new equation of state for dark energy model

A new parameterization for the dark energy equation of state(EoS) is proposed and some of its cosmological consequences are also investigated. This new parameterization is the modification of Efstathiou' dark energy EoS parameterization. w(z) is a well behaved function for z >> 1 and has same behavior in z at low redshifts with Efstathiou' parameterization. In this parameterization there are two free parameter w{sub 0} and w{sub a}. We discuss the constraints on this model's parameters from current observational data. The best fit values of the cosmological parameters with 1σ confidence-level regions are: Ω{sub m} = 0.2735{sup +0.0171}{sub −0.0163}, w{sub 0} = −1.0537{sup +0.1432}{sub −0.1511} and w{sub a} = 0.2738{sup +0.8018}{sub −0.8288}.

79 ASTRONOMY AND ASTROPHYSICS↗

Fables of reconstruction: controlling bias in the dark energy equation of state

We develop an efficient, non-parametric Bayesian method for reconstructing the time evolution of the dark energy equation of state w(z) from observational data. Of particular importance is the choice of prior, which must be chosen carefully to minimise variance and bias in the reconstruction. Using a principal component analysis, we show how a correlated prior can be used to create a smooth reconstruction and also avoid bias in the mean behaviour of w(z). We test our method using Wiener reconstructions based on Fisher matrix projections, and also against more realistic MCMC analyses of simulated data sets for Planck and a future space-based dark energy mission. While the accuracy of our reconstruction depends on the smoothness of the assumed w(z), the relative error for typical dark energy models is ∼<10% out to redshift z = 1.5.

79 ASTRONOMY AND ASTROPHYSICS↗

The self-calibrating Hubble diagram

As an increasing number of well measured type Ia supernovae (SNe Ia) become available, the statistical uncertainty on w has been reduced to the same size as the systematic uncertainty. The statistical error will decrease further in the near future, and hence the improvement of systematic uncertainties needs to be addressed, if further progress is to be made. We study how uncertainties in the primary reference spectrum — which are a main contribution to the systematic uncertainty budget — affect the measurement of the Dark Energy equation of state parameter w from SNe Ia. The increasing number of SN observations can be used to reduce the uncertainties by including perturbations of the reference spectrum as nuisance parameters in a cosmology fit, thus 'self-calibrating' the Hubble diagram. We employ this method to real SNe data for the first time and find the perturbations of the reference spectrum consistent with zero at the 1%-level. For future surveys we estimate that ∼3500 SNe will be required for our method to outperform the standard method of deriving the cosmological parameters.

79 ASTRONOMY AND ASTROPHYSICS↗

Crossing statistic: reconstructing the expansion history of the universe

We present that by combining Crossing Statistic [1,2] and Smoothing method [3-5] one can reconstruct the expansion history of the universe with a very high precision without considering any prior on the cosmological quantities such as the equation of state of dark energy. We show that the presented method performs very well in reconstruction of the expansion history of the universe independent of the underlying models and it works well even for non-trivial dark energy models with fast or slow changes in the equation of state of dark energy. Accuracy of the reconstructed quantities along with independence of the method to any prior or assumption gives the proposed method advantages to the other non-parametric methods proposed before in the literature. Applying on the Union 2.1 supernovae combined with WiggleZ BAO data we present the reconstructed results and test the consistency of the two data sets in a model independent manner. Results show that latest available supernovae and BAO data are in good agreement with each other and spatially flat ΛCDM model is in concordance with the current data.

79 ASTRONOMY AND ASTROPHYSICS↗

Reconstruction of the dark energy equation of state

One of the main challenges of modern cosmology is to investigate the nature of dark energy in our Universe. The properties of such a component are normally summarised as a perfect fluid with a (potentially) time-dependent equation-of-state parameter w(z). We investigate the evolution of this parameter with redshift by performing a Bayesian analysis of current cosmological observations. We model the temporal evolution as piecewise linear in redshift between 'nodes', whose w-values and redshifts are allowed to vary. The optimal number of nodes is chosen by the Bayesian evidence. In this way, we can both determine the complexity supported by current data and locate any features present in w(z). We compare this node-based reconstruction with some previously well-studied parameterisations: the Chevallier-Polarski-Linder (CPL), the Jassal-Bagla-Padmanabhan (JBP) and the Felice-Nesseris-Tsujikawa (FNT). By comparing the Bayesian evidence for all of these models we find an indication towards possible time-dependence in the dark energy equation-of-state. It is also worth noting that the CPL and JBP models are strongly disfavoured, whilst the FNT is just significantly disfavoured, when compared to a simple cosmological constant w = −1. We find that our node-based reconstruction model is slightly disfavoured with respect to the ΛCDM model.

79 ASTRONOMY AND ASTROPHYSICS↗

Violation of the FRW consistency condition as a signature of backreaction

We propose a backreaction toy model with realistic features and confront it with the Union2.1 supernova data. The model provides a good fit even though the expansion history is quite different from the ΛCDM model and the effective equation of state is far from -1. We discuss compatibility (or lack thereof) with other observations. We show that the FRW consistency condition between distance and expansion rate is violated with an amplitude that is slightly below the current observational limits. We expect that this is also the case in the real universe if backreaction is significant, providing a distinct signature of backreaction.

79 ASTRONOMY AND ASTROPHYSICS↗

Probing quintessence potential with future cosmological surveys

Quintessence, a scalar field model, has been proposed to account for the acceleration of the Universe at present. We discuss how accurately quintessence models are discriminated by future cosmological surveys, which include experiments of CMB, galaxy clustering, weak lensing, and the type Ia SNe surveys, by making use of the conventional parameterized dark energy models. We can see clear differences between the thawing and the freezing quintessence models at more than 1σ (2σ) confidence level as long as the present equation of state for quintessence is away from -1 as w{sub X}∼>−0.95(−0.90). However, it is found to be difficult to probe the effective mass squared for the potential in thawing models, whose signs are different between the quadratic and the cosine-type potentials. This fact may require us to invent a new estimator to distinguish quintessence models beyond the thawing and the freezing ones.

79 ASTRONOMY AND ASTROPHYSICS↗

Constraining dark energy through the stability of cosmic structures

For a general dark-energy equation of state, we estimate the maximum possible radius of massive structures that are not destabilized by the acceleration of the cosmological expansion. A comparison with known stable structures constrains the equation of state. The robustness of the constraint can be enhanced through the accumulation of additional astrophysical data and a better understanding of the dynamics of bound cosmic structures.

79 ASTRONOMY AND ASTROPHYSICS↗

BMS in cosmology

Symmetries play an interesting role in cosmology. They are useful in characterizing the cosmological perturbations generated during inflation and lead to consistency relations involving the soft limit of the statistical correlators of large-scale structure dark matter and galaxies overdensities. On the other hand, in observational cosmology the carriers of the information about these large-scale statistical distributions are light rays traveling on null geodesics. Motivated by this simple consideration, we study the structure of null infinity and the associated BMS symmetry in a cosmological setting. For decelerating Friedmann-Robertson-Walker backgrounds, for which future null infinity exists, we find that the BMS transformations which leaves the asymptotic metric invariant to leading order. Contrary to the asymptotic flat case, the BMS transformations in cosmology generate Goldstone modes corresponding to scalar, vector and tensor degrees of freedom which may exist at null infinity and perturb the asymptotic data. Therefore, BMS transformations generate physically inequivalent vacua as they populate the universe at null infinity with these physical degrees of freedom. We also discuss the gravitational memory effect when cosmological expansion is taken into account. In this case, there are extra contribution to the gravitational memory due to the tail of the retarded Green functions which are supported not only on the light-cone, but also in its interior. The gravitational memory effect can be understood also from an asymptotic point of view as a transition among cosmological BMS-related vacua.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗