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Results for “Oppenheimer”
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Systematic Bandgap Engineering of a 2D Organic–Inorganic Chalcogenide Semiconductor via Ligand Modification
Hybrid organic–inorganic semiconductors present new opportunities for optoelectronic materials design not available in all-organic or all-inorganic materials. One example is silver phenylselenide (AgSePh) – or “mithrene” – a blue-emitting 2D organic–inorganic semiconductor exhibiting strong optical and electronic anisotropy. Here, we show that the bandgap of mithrene can be systematically tuned by introducing electron-donating and electron-withdrawing groups to the phenyl ligands. We synthesized nine mithrene variants, eight of which formed 2D van der Waals crystals analogous to those of AgSePh. Density functional theory calculations reveal that these 2D mithrene variants are direct-gap or nearly direct gap semiconductors. Furthermore, we identify correlations between the optical gap and three experimental observables – the Hammett constant, 77 Se chemical shift, and selenium partial charge – offering predictive power for bandgap tuning. These findings highlight new opportunities for applying the tools of chemical synthesis to semiconductor materials design.
Asymmetric linker generates intrinsically disordered metal–organic framework with local MOF-74 structure
Here, we report an intrinsically disordered MOF in the MOF-74 family, Mg 2−x (as-dobpdc) (as-dobpdc 4− = 3′,4-dioxidobiphenyl-3,4′-dicarboxylate). Despite the absence of crystallinity, this material exhibits local ordering consistent with that of its crystalline isomers, maintains porosity, and exhibits a high density of open metal sites. Metal–organic frameworks (MOFs) are typically valued for their combination of crystallinity, porosity, and tunability. However, amorphous MOFs can retain local order while introducing advantages, such as broader distribution of active sites types, reduced thermal conductivity, and emergent modes of tunability via control over the type of disorder. Conventional amorphization strategies rely on external stimuli including pressure, temperature, stress, electrical discharge, or fast precipitation. Recently, amorphous MOFs have been accessed directly using low symmetry organic linkers.
High-resolution structure of Zn 3 (HOTP) 2 (HOTP = hexaoxidotriphenylene), a three-dimensional conductive MOF
Though two-dimensional (2D) electrically conducting metal–organic frameworks (cMOFs) have become prominent due to their numerous potential applications, their structures are often implied or assumed from rather crude powder X-ray diffraction data.
Xenon mobility in γ-uranium and uranium–molybdenum alloys
Diffusion in bcc uranium and U–Mo alloys is of great interest because fission gas and other fission products impact the performance of nuclear fuels. We investigate the mobility of xenon and molybdenum in bcc uranium ($γ$-U) and metallic U–Mo alloys by calculating the migration energies of xenon and molybdenum for various local compositions using density functional theory. We also calculate the solute–vacancy binding energies of different solutes to vacancies in bcc uranium. We find that the solute–vacancy binding energy in bcc uranium is significantly higher than it is in other bcc metals (e.g., Fe and W). We also find that the migration energy of molybdenum is substantially higher than the migration energy of xenon, indicating that xenon is much more mobile than molybdenum in bcc uranium. The presence of molybdenum in the nearest-neighbor shell around a xenon atom typically increases the migration energy of xenon, which indicates a reduction of xenon mobility in U–Mo alloys compared to pure bcc uranium.
Mixed stochastic-deterministic density functional theoretic decomposition of Kubo–Greenwood conductivities in the projector augmented wave formalism
Pairing the accuracy of the Kohn–Sham density-functional framework with the efficiency of a stochastic algorithmic approach, mixed stochastic-deterministic density functional theory (mDFT) achieves a favorable computational scaling with system sizes and electronic temperatures. We employ the recently developed mDFT formalism to investigate the dynamic charge-transport properties of systems in the warm dense matter regime. The optical conductivity spectra are computed for single- and multi- component mixtures of carbon, hydrogen, and beryllium using two complementary approaches: Kubo–Greenwood in the mDFT picture and real-time time-dependent mDFT. We further devise a decomposition of the Onsager coefficients leading up to the Kubo–Greenwood spectra to exhibit contributions from the deterministic, stochastic, and mixed electronic state transitions at different incident photon energies.
Disentangling the effects of non-adiabatic interactions upon ion self-diffusion within warm dense hydrogen
Warm dense matter is a material state in the region of parameter space connecting condensed matter to classical plasma physics. In this intermediate regime, we investigate the significance of non-adiabatic electron-ion interactions upon ion dynamics. To disentangle non-adiabatic from adiabatic electron-ion interactions, we compare the ion self-diffusion coefficient from the non-adiabatic electron force field computational model with an adiabatic, classical molecular dynamics simulation. A classical pair potential developed through a force-matching algorithm ensures the only difference between the models is due to the electronic inertia. Here, we implement this new method to characterize non-adiabatic effects on the self-diffusion of warm dense hydrogen over a wide range of temperatures and densities. Ultimately we show that the impact of non-adiabatic effects is negligible for equilibrium ion dynamics in warm dense hydrogen.
Revised astrometric calibration of the Gemini Planet Imager
We present a revision to the astrometric calibration of the Gemini Planet Imager (GPI), an instrument designed to achieve the high contrast at small angular separations necessary to image substellar and planetary-mass companions around nearby, young stars. We identified several issues with the GPI data reduction pipeline (DRP) that significantly affected the determination of the angle of north in reduced GPI images. As well as introducing a small error in position angle measurements for targets observed at small zenith distances, this error led to a significant error in the previous astrometric calibration that has affected all subsequent astrometric measurements. We present a detailed description of these issues and how they were corrected. We reduced GPI observations of calibration binaries taken periodically since the instrument was commissioned in 2014 using an updated version of the DRP. These measurements were compared to observations obtained with the NIRC2 instrument on Keck II, an instrument with an excellent astrometric calibration, allowing us to derive an updated plate scale and north offset angle for GPI. This revised astrometric calibration should be used to calibrate all measurements obtained with GPI for the purposes of precision astrometry.
Bacterial gasdermins reveal an ancient mechanism of cell death
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Thirty Minutes Before the Dawn
The Trinity test of July 16, 1945, marked the scientific apex of the Manhattan Project. Often recognized as the symbolic birth of the nuclear age, Trinity’s multifaceted legacy remains just as captivating and complex today as it did 75 years ago. This paper examines why the test was necessary from a technical standpoint, shows how Los Alamos scientists planned the event, and explores the physical and emotional aftermaths of Trinity. The author also uses rarely accessed original records to reconstruct the story of Trinity’s health hazards, as seen through the eyes of radiation technicians and medical doctors as events unfolded. Trinity was conducted as the Potsdam Conference began, weeks after the collapse of Nazi Germany. It was considered necessary to let President Harry S. Truman know whether the United States possessed a nuclear capability ahead of his negotiations with Joseph Stalin, the Soviet premier. The author examines the competing priorities that drove the timetable for the test: international politics, security, and safety. Three weeks after Trinity, a gun-assembled enriched-uranium bomb called Little Boy was used against the Japanese city of Hiroshima. Three days later, Fat Man, a weaponized version of the imploding Trinity device, was dropped on Nagasaki. The author briefly examines these strikes and what impact they may have had on the Japanese surrender. The paper concludes by examining the legacy of the Trinity test 75 years into the age it helped usher in.
First Resolved Scattered-light Images of Four Debris Disks in Scorpius-Centaurus with the Gemini Planet Imager
In this work, we present the first spatially resolved scattered-light images of four debris disks around members of the Scorpius-Centaurus (Sco-Cen) OB association with high-contrast imaging and polarimetry using the Gemini Planet Imager (GPI). All four disks are resolved for the first time in polarized light, and one disk is also detected in total intensity. The three disks imaged around HD 111161, HD 143675, and HD 145560 are symmetric in both morphology and brightness distribution. The three systems span a range of inclinations and radial extents. The disk imaged around HD 98363 shows indications of asymmetries in morphology and brightness distribution, with some structural similarities to the HD 106906 planet–disk system. Uniquely, HD 98363 has a wide comoving stellar companion, Wray 15-788, with a recently resolved disk with very different morphological properties. HD 98363 A/B is the first binary debris disk system with two spatially resolved disks. All four targets have been observed with ALMA, and their continuum fluxes range from one nondetection to one of the brightest disks in the region. With the new results, a total of 15 A/F stars in Sco-Cen have resolved scattered-light debris disks, and approximately half of these systems exhibit some form of asymmetry. Combining the GPI disk structure results with information from the literature on millimeter fluxes and imaged planets reveals a diversity of disk properties in this young population. Overall, the four newly resolved disks contribute to the census of disk structures measured around A/F stars at this important stage in the development of planetary systems.
The Gemini Planet Imager Exoplanet Survey: Dynamical Mass of the Exoplanet β Pictoris b from Combined Direct Imaging and Astrometry
Herein, we present new observations of the planet β Pictoris b from 2018 with the Gemini Planet Imager (GPI), the first GPI observations following conjunction. Based on these new measurements, we perform a joint orbit fit to the available relative astrometry from ground-based imaging, the Hipparcos Intermediate Astrometric Data (IAD), and the Gaia DR2 position, and demonstrate how to incorporate the IAD into direct imaging orbit fits. We find a mass consistent with predictions of hot-start evolutionary models and previous works following similar methods, though with larger uncertainties: $12.8^{+5.3}_{–3.2} M_{Jup}$. Our eccentricity determination of ${0.12}_{-0.03}^{+0.04}$ disfavors circular orbits. We consider orbit fits to several different imaging data sets, and find generally similar posteriors on the mass for each combination of imaging data. Our analysis underscores the importance of performing joint fits to the absolute and relative astrometry simultaneously, given the strong covariance between orbital elements. Time of conjunction is well-constrained within 2.8 days of 2017 September 13, with the star behind the planet's Hill sphere between 2017 April 11 and 2018 February 16 (±18 days). Following the recent radial velocity detection of a second planet in the system, β Pic c, we perform additional two-planet fits combining relative astrometry, absolute astrometry, and stellar radial velocities. These joint fits find a significantly smaller mass (8.0 ± 2.6 M Jup) for the imaged planet β Pic b, in a somewhat more circular orbit. We expect future ground-based observations to further constrain the visual orbit and mass of the planet in advance of the release of Gaia DR4.
The Gemini Planet Imager View of the HD 32297 Debris Disk
We present new H-band scattered light images of the HD 32297 edge-on debris disk obtained with the Gemini Planet Imager. The disk is detected in total and polarized intensity down to a projected angular separation of 0.″15, or 20 au. On the other hand, the large-scale swept-back halo remains undetected, likely a consequence of its markedly blue color relative to the parent body belt. We analyze the curvature of the disk spine and estimate a radius of ≈100 au for the parent body belt, smaller than past scattered light studies but consistent with thermal emission maps of the system. We employ three different flux-preserving post-processing methods to suppress the residual starlight and evaluate the surface brightness and polarization profile along the disk spine. Unlike past studies of the system, our high-fidelity images reveal the disk to be highly symmetric and devoid of morphological and surface brightness perturbations. We find the dust scattering properties of the system to be consistent with those observed in other debris disks, with the exception of HR 4796. Finally, we find no direct evidence for the presence of a planetary-mass object in the system.
Debris Disk Results from the Gemini Planet Imager Exoplanet Survey's Polarimetric Imaging Campaign
We report the results of a ∼4 yr direct imaging survey of 104 stars to resolve and characterize circumstellar debris disks in scattered light as part of the Gemini Planet Imager (GPI) Exoplanet Survey. We targeted nearby (≲150 pc), young (≲500 Myr) stars with high infrared (IR) excesses (L {sub IR}/L {sub ⋆} > 10{sup −5}), including 38 with previously resolved disks. Observations were made using the GPI high-contrast integral field spectrograph in H-band (1.6 μm) coronagraphic polarimetry mode to measure both polarized and total intensities. We resolved 26 debris disks and 3 protoplanetary/transitional disks. Seven debris disks were resolved in scattered light for the first time, including newly presented HD 117214 and HD 156623, and we quantified basic morphologies of five of them using radiative transfer models. All of our detected debris disks except HD 156623 have dust-poor inner holes, and their scattered-light radii are generally larger than corresponding radii measured from resolved thermal emission and those inferred from spectral energy distributions. To assess sensitivity, we report contrasts and consider causes of nondetections. Detections were strongly correlated with high IR excess and high inclination, although polarimetry outperformed total intensity angular differential imaging for detecting low-inclination disks (≲70°). Based on postsurvey statistics, we improved upon our presurvey target prioritization metric predicting polarimetric disk detectability. We also examined scattered-light disks in the contexts of gas, far-IR, and millimeter detections. Comparing H-band and ALMA fluxes for two disks revealed tentative evidence for differing grain properties. Finally, we found no preference for debris disks to be detected in scattered light if wide-separation substellar companions were present.
Multiband Polarimetric Imaging of HR 4796A with the Gemini Planet Imager
HR4796A hosts a well-studied debris disk with a long history due to its high fractional luminosity and favorable inclination, which facilitate both unresolved and resolved observations. We present new J- and K {sub 1}-band images of the resolved debris disk HR4796A taken in the polarimetric mode of the Gemini Planet Imager (GPI). The polarized intensity features a strongly forward-scattered brightness distribution and is undetected at the far side of the disk. The total intensity is detected at all scattering angles and also exhibits a strong forward-scattering peak. We use a forward-modeled geometric disk in order to extract geometric parameters, polarized fraction, and total intensity scattering phase functions for these data as well as H-band data previously taken by GPI. We find the polarized phase function becomes increasingly more forward-scattering as wavelength increases. We fit Mie and distribution of hollow spheres (DHS) grain models to the extracted functions. We find that it is possible to generate a satisfactory model for the total intensity using a DHS model, but not with a Mie model. We find that no single grain population of DHS or Mie grains of arbitrary composition can simultaneously reproduce the polarized fraction and total intensity scattering phase functions, indicating the need for more sophisticated grain models.
Gemini Planet Imager Spectroscopy of the Dusty Substellar Companion HD 206893 B
We present new near-infrared Gemini Planet Imager (GPI) spectroscopy of HD 206893 B, a substellar companion orbiting within the debris disk of its F5V star. The J, H, K1, and K2 spectra from GPI demonstrate the extraordinarily red colors of the object, confirming it as the reddest substellar object observed to date. The significant flux increase throughout the infrared presents a challenging atmosphere to model with existing grids. Best-fit values vary from 1200 to 1800 K for effective temperature and from 3.0 to 5.0 for log(g), depending on which individual wavelength band is fit and which model suite is applied. The extreme redness of the companion can be partially reconciled by invoking a high-altitude layer of submicron dust particles, similar to dereddening approaches applied to the peculiar red field L dwarf population. However, reconciling the HD 206893 B spectra with even those of the reddest low-gravity L dwarf spectra still requires the contribution of additional atmospheric dust, potentially due to the debris disk environment in which the companion resides. Orbit fitting from 4 yr of astrometric monitoring is consistent with a ∼30 yr period, an orbital inclination of 147°, and a semimajor axis of 10 au, well within the estimated disk inner radius of ∼50 au. As one of a very few substellar companions imaged interior to a circumstellar disk, the properties of this system offer important dynamical constraints on companion–disk interaction and provide a benchmark for substellar and planetary atmospheric study.
Variability and Spectral Characteristics of Three Flaring Gamma-Ray Quasars Observed by VERITAS and Fermi-LAT
Flat-spectrum radio quasars (FSRQs) are the most luminous blazars at GeV energies but only rarely emit detectable fluxes of TeV gamma rays, typically during bright GeV flares. We explore the gamma-ray variability and spectral characteristics of three FSRQs that have been observed at GeV and TeV energies by Fermi-LAT and VERITAS, making use of almost 100 hr of VERITAS observations spread over 10 yr: 3C 279, PKS 1222+216, and Ton 599. We explain the GeV flux distributions of the sources in terms of a model derived from a stochastic differential equation describing fluctuations in the magnetic field in the accretion disk and estimate the timescales of magnetic flux accumulation and stochastic instabilities in their accretion disks. We identify distinct flares using a procedure based on Bayesian blocks and analyze their daily and subdaily variability and gamma-ray energy spectra. Using observations from VERITAS, as well as Fermi, Swift, and the Steward Observatory, we model the broadband spectral energy distributions of PKS 1222+216 and Ton 599 during very high energy (VHE)–detected flares in 2014 and 2017, respectively, strongly constraining the jet Doppler factors and gamma-ray emission region locations during these events. Finally, we place theoretical constraints on the potential production of PeV-scale neutrinos during these VHE flares.