129 research outputs found
Structure of amorphous Ge8Sb2Te11: GeTe-Sb2Te3 alloys and optical storage
The amorphous structure of Ge8Sb2Te11, an alloy used in the Blu-ray Disc, the de facto successor to digital versatile disk (DVD) optical storage, has been characterized by large-scale (630 atoms, 0.4 ns) density-functional/molecular-dynamics simulations using the new PBEsol approximation for the exchange-correlation energy functional. The geometry and electronic structure agree well with available x-ray diffraction data and photoelectron measurements. The total coordination numbers are Ge: 4.0, Sb: 3.7, and Te: 2.9, and the Ge-Ge partial coordination number is 0.7. Most atoms (particularly Sb) prefer octahedral coordination but 42% of Ge atoms are "tetrahedral." Structural details, including ring statistics, local coordination, and cavities (12% of total volume), are strikingly similar to those of Ge2Sb2Te5, which is used in DVD-random access memory. The presence of less than 10% Sb atoms leads to significant changes from GeTe
Using remote substituents to control solution structure and anion binding in lanthanide complexes.
A study of the anion-binding properties of three structurally related lanthanide complexes, which all contain chemically identical anion-binding motifs, has revealed dramatic differences in their anion affinity. These arise as a consequence of changes in the substitution pattern on the periphery of the molecule, at a substantial distance from the binding pocket. Herein, we explore these remote substituent effects and explain the observed behaviour through discussion of the way in which remote substituents can influence and control the global structure of a molecule through their demands upon conformational space. Peripheral modifications to a binuclear lanthanide motif derived from α,α′-bis(DO3 Ayl)-m-xylene are shown to result in dramatic changes to the binding constant for isophthalate. In this system, the parent compound displays considerable conformational flexibility, yet can be assumed to bind to isophthalate through a well-defined conformer. Addition of steric bulk remote from the binding site restricts conformational mobility, giving rise to an increase in binding constant on entropic grounds as long as the ideal binding conformation is not excluded from the available range of conformers
Using Remote Substituents to Control Solution Structure and Anion Binding in Lanthanide Complexes
A study of the anion-binding properties of three structurally related lanthanide complexes, which all contain chemically identical anion-binding motifs, has revealed dramatic differences in their anion affinity. These arise as a consequence of changes in the substitution pattern on the periphery of the molecule, at a substantial distance from the binding pocket. Herein, we explore these remote substituent effects and explain the observed behaviour through discussion of the way in which remote substituents can influence and control the global structure of a molecule through their demands upon conformational space. Peripheral modifications to a binuclear lanthanide motif derived from α,α′-bis(DO3 Ayl)-m-xylene are shown to result in dramatic changes to the binding constant for isophthalate. In this system, the parent compound displays considerable conformational flexibility, yet can be assumed to bind to isophthalate through a well-defined conformer. Addition of steric bulk remote from the binding site restricts conformational mobility, giving rise to an increase in binding constant on entropic grounds as long as the ideal binding conformation is not excluded from the available range of conformers
The Atacama Cosmology Telescope: Modeling the Gas Thermodynamics in BOSS CMASS galaxies from Kinematic and Thermal Sunyaev-Zel'dovich Measurements
The thermal and kinematic Sunyaev-Zel'dovich effects (tSZ, kSZ) probe the
thermodynamic properties of the circumgalactic and intracluster medium (CGM and
ICM) of galaxies, groups, and clusters, since they are proportional,
respectively, to the integrated electron pressure and momentum along the
line-of-sight. We present constraints on the gas thermodynamics of CMASS
galaxies in the Baryon Oscillation Spectroscopic Survey (BOSS) using new
measurements of the kSZ and tSZ signals obtained in a companion paper.
Combining kSZ and tSZ measurements, we measure within our model the amplitude
of energy injection , where is the stellar
mass, to be , and the amplitude of the
non-thermal pressure profile to be (2),
indicating that less than 20% of the total pressure within the virial radius is
due to a non-thermal component. We estimate the effects of including baryons in
the modeling of weak-lensing galaxy cross-correlation measurements using the
best fit density profile from the kSZ measurement. Our estimate reduces the
difference between the original theoretical model and the weak-lensing galaxy
cross-correlation measurements in arXiv:1611.08606 by half, but does not fully
reconcile it. Comparing the kSZ and tSZ measurements to cosmological
simulations, we find that they under predict the CGM pressure and to a lesser
extent the CGM density at larger radii. This suggests that the energy injected
via feedback models in the simulations that we compared against does not
sufficiently heat the gas at these radii. We do not find significant
disagreement at smaller radii. These measurements provide novel tests of
current and future simulations. This work demonstrates the power of joint, high
signal-to-noise kSZ and tSZ observations, upon which future cross-correlation
studies will improve.Comment: Accepted for publication in Physical Review D. Editors' Suggestion.
New Fig. 1-2, Tab.
Atacama Cosmology Telescope: Weighing Distant Clusters with the Most Ancient Light
We use gravitational lensing of the cosmic microwave background (CMB) to measure the mass of the most distant blindly selected sample of galaxy clusters on which a lensing measurement has been performed to date. In CMB data from the the Atacama Cosmology Telescope and the Planck satellite, we detect the stacked lensing effect from 677 near-infrared-selected galaxy clusters from the Massive and Distant Clusters of WISE Survey (MaDCoWS), which have a mean redshift of ⟨z⟩ = 1.08. There are currently no representative optical weak lensing measurements of clusters that match the distance and average mass of this sample. We detect the lensing signal with a significance of 4.2σ. We model the signal with a halo model framework to find the mean mass of the population from which these clusters are drawn. Assuming that the clusters follow Navarro–Frenk–White (NFW) density profiles, we infer a mean mass of ⟨M_(500c)⟩ = (1.7±0.4)×10¹⁴M⊙. We consider systematic uncertainties from cluster redshift errors, centering errors, and the shape of the NFW profile. These are all smaller than 30% of our reported uncertainty. This work highlights the potential of CMB lensing to enable cosmological constraints from the abundance of distant clusters populating ever larger volumes of the observable universe, beyond the capabilities of optical weak lensing measurements
The Atacama Cosmology Telescope: Combined kinematic and thermal Sunyaev-Zel'dovich measurements from BOSS CMASS and LOWZ halos
The scattering of cosmic microwave background (CMB) photons off the
free-electron gas in galaxies and clusters leaves detectable imprints on high
resolution CMB maps: the thermal and kinematic Sunyaev-Zel'dovich effects (tSZ
and kSZ respectively). We use combined microwave maps from the Atacama
Cosmology Telescope (ACT) DR5 and Planck in combination with the CMASS and LOWZ
galaxy catalogs from the Baryon Oscillation Spectroscopic Survey (BOSS DR10 and
DR12), to study the gas associated with these galaxy groups. Using individual
reconstructed velocities, we perform a stacking analysis and reject the no-kSZ
hypothesis at 6.5, the highest significance to date. This directly
translates into a measurement of the electron number density profile, and thus
of the gas density profile. Despite the limited signal to noise, the
measurement shows at high significance that the gas density profile is more
extended than the dark matter density profile, for any reasonable baryon
abundance (formally for the cosmic baryon abundance). We
simultaneously measure the tSZ signal, i.e. the electron thermal pressure
profile of the same CMASS objects, and reject the no-tSZ hypothesis at
10. We combine tSZ and kSZ measurements to estimate the electron
temperature to 20% precision in several aperture bins, and find it comparable
to the virial temperature. In a companion paper, we analyze these measurements
to constrain the gas thermodynamics and the properties of feedback inside
galaxy groups. We present the corresponding LOWZ measurements in this paper,
ruling out a null kSZ (tSZ) signal at 2.9 (13.9), and leave their
interpretation to future work. Our stacking software ThumbStack is publicly
available at https://github.com/EmmanuelSchaan/ThumbStack and directly
applicable to future Simons Observatory and CMB-S4 data.Comment: Accepted in Physical Review D, Editors' Suggestio
The Atacama Cosmology Telescope: High-resolution component-separated maps across one-third of the sky
Observations of the millimeter sky contain valuable information on a number
of signals, including the blackbody cosmic microwave background (CMB), Galactic
emissions, and the Compton- distortion due to the thermal Sunyaev-Zel'dovich
(tSZ) effect. Extracting new insight into cosmological and astrophysical
questions often requires combining multi-wavelength observations to spectrally
isolate one component. In this work, we present a new arcminute-resolution
Compton- map, which traces out the line-of-sight-integrated electron
pressure, as well as maps of the CMB in intensity and E-mode polarization,
across a third of the sky (around 13,000 sq.~deg.). We produce these through a
joint analysis of data from the Atacama Cosmology Telescope (ACT) Data Release
4 and 6 at frequencies of roughly 93, 148, and 225 GHz, together with data from
the \textit{Planck} satellite at frequencies between 30 GHz and 545 GHz. We
present detailed verification of an internal linear combination pipeline
implemented in a needlet frame that allows us to efficiently suppress Galactic
contamination and account for spatial variations in the ACT instrument noise.
These maps provide a significant advance, in noise levels and resolution, over
the existing \textit{Planck} component-separated maps and will enable a host of
science goals including studies of cluster and galaxy astrophysics, inferences
of the cosmic velocity field, primordial non-Gaussianity searches, and
gravitational lensing reconstruction of the CMB.Comment: The Compton-y map and associated products will be made publicly
available upon publication of the paper. The CMB T and E mode maps will be
made available when the DR6 maps are made publi
The Atacama Cosmology Telescope: DR6 Gravitational Lensing Map and Cosmological Parameters
We present cosmological constraints from a gravitational lensing mass map
covering 9400 sq. deg. reconstructed from CMB measurements made by the Atacama
Cosmology Telescope (ACT) from 2017 to 2021. In combination with BAO
measurements (from SDSS and 6dF), we obtain the amplitude of matter
fluctuations at 1.8% precision,
and the Hubble
constant at
1.6% precision. A joint constraint with CMB lensing measured by the Planck
satellite yields even more precise values: ,
and . These measurements agree
well with CDM-model extrapolations from the CMB anisotropies measured
by Planck. To compare these constraints to those from the KiDS, DES, and HSC
galaxy surveys, we revisit those data sets with a uniform set of assumptions,
and find from all three surveys are lower than that from ACT+Planck
lensing by varying levels ranging from 1.7-2.1. These results motivate
further measurements and comparison, not just between the CMB anisotropies and
galaxy lensing, but also between CMB lensing probing on
mostly-linear scales and galaxy lensing at on smaller scales. We
combine our CMB lensing measurements with CMB anisotropies to constrain
extensions of CDM, limiting the sum of the neutrino masses to eV (95% c.l.), for example. Our results provide independent
confirmation that the universe is spatially flat, conforms with general
relativity, and is described remarkably well by the CDM model, while
paving a promising path for neutrino physics with gravitational lensing from
upcoming ground-based CMB surveys.Comment: 30 pages, 16 figures, prepared for submission to ApJ. Cosmological
likelihood data is here:
https://lambda.gsfc.nasa.gov/product/act/actadv_prod_table.html ; likelihood
software is here: https://github.com/ACTCollaboration/act_dr6_lenslike . Also
see companion papers Qu et al and MacCrann et al. Mass maps will be released
when papers are publishe
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