Gilson, Erik; Lee, H.; Bortolon, A.; Choe, W.; Diallo, A.; Hong, S. H.; Lee, H. M.; Maingi, R.; Mansfield, D. K.; Nagy, A.; Park, S. H.; Song, I. W.; Song, J. I.; Yun, S. W.; Yoon, S. W.; Nazikian, R.
Wang, Rui; Guo, Xuehui; Pan, Da; Kelly, James; Bash, Jesse; Sun, Kang; Paulot, Fabien; Clarisse, Lieven; Van Damme, Martin; Whitburn, Simon; Coheur, Pierre-François; Clerbaux, Cathy; Zondlo, Mark
Abstract:
Monthly, high resolution (~2 km) ammonia (NH3) column maps from the Infrared Atmospheric Sounding Interferometer (IASI) were developed across the contiguous United States and adjacent areas. Ammonia hotspots (95th percentile of the column distribution) were highly localized with a characteristic length scale of 12 km and median area of 152 km2. Five seasonality classes were identified with k-means++ clustering. The Midwest and eastern United States had a broad, spring maximum of NH3 (67% of hotspots in this cluster). The western United States, in contrast, showed a narrower mid-summer peak (32% of hotspots). IASI spatiotemporal clustering was consistent with those from the Ammonia Monitoring Network. CMAQ and GFDL-AM3 modeled NH3 columns have some success replicating the seasonal patterns but did not capture the regional differences. The high spatial-resolution monthly NH3 maps serve as a constraint for model simulations and as a guide for the placement of future, ground-based network sites.
Kim, Donghoon; Tracy, Sally J.; Smith, Raymond F.; Gleason, Arianna E.; Bolme, Cindy A.; Prakapenka, Vitali B.; Appel, Karen; Speziable, Sergio; Wicks, June K.; Berryman, Eleanor J.; Han, Sirus K.; Schoelmerich, Markus O.; Lee, Hae Ja; Nagler, Bob; Cunningham, Eric F.; Akin, Minta C.; Asimow, Paul D.; Eggert, Jon H.; Duffy, Thomas S.
Abstract:
The behavior of forsterite, Mg2SiO4, under dynamic compression is of fundamental importance for understanding its phase transformations and high-pressure behavior. Here, we have carried out an in situ X-ray diffraction study of laser-shocked poly- and single-crystal forsterite (a-, b-, and c- orientations) from 19 to 122 GPa using the Matter in Extreme Conditions end-station of the Linac Coherent Light Source. Under laser-based shock loading, forsterite does not transform to the high-pressure equilibrium assemblage of MgSiO3 bridgmanite and MgO periclase, as was suggested previously. Instead, we observe forsterite and forsterite III, a metastable polymorph of Mg2SiO4, coexisting in a mixed-phase region from 33 to 75 GPa for both polycrystalline and single-crystal samples. Densities inferred from X-ray diffraction data are consistent with earlier gas-gun shock data. At higher stress, the behavior observed is sample-dependent. Polycrystalline samples undergo amorphization above 79 GPa. For [010]- and [001]-oriented crystals, a mixture of crystalline and amorphous material is observed to 108 GPa, whereas the [100]-oriented crystal adopts an unknown crystal structure at 122 GPa. The Q values of the first two sharp diffraction peaks of amorphous Mg2SiO4 show a similar trend with compression as those observed for MgSiO3 glass in both recent static and laser-compression experiments. Upon release to ambient pressure, all samples retain or revert to forsterite with evidence for amorphous material also present in some cases. This study demonstrates the utility of femtosecond free-electron laser X-ray sources for probing the time evolution of high-pressure silicates through the nanosecond-scale events of shock compression and release.
The Molino suite contains 75,000 galaxy mock catalogs designed to quantify the information content of any cosmological observable for a redshift-space galaxy sample. They are constructed from the Quijote N-body simulations (Villaescusa-Navarro et al. 2020) using the standard Zheng et al. (2007) Halo Occupation Distribution (HOD) model. The fiducial HOD parameters are based on the SDSS high luminosity samples. The suite contains 15,000 mocks at the fiducial cosmology and HOD parameters for covariance matrix estimation. It also includes (500 N-body realizations) x (5 HOD realizations)=2,500 mocks at 24 other parameter values to estimate the derivative of the observable with respect to six cosmological parameters (Omega_m, Omega_b, h, n_s, sigma_8, and M_nu) and five HOD parameters (logMmin, sigma_logM, log M_0, alpha, and log M_1). Using the covariance matrix and derivatives calculated from Molino, one can derive Fisher matrix forecasts on the cosmological parameters marginalized over HOD parameters.
This dataset provides the data generated during the project analyzing ‘Food Consumption Strategies for Addressing Air Pollution, Climate Change, Water Use, and Public Health in China’. It includes the code for generating the alternative dietary scenarios, for analyzing the health impacts of alternative diets, and for visualization of results.
Chen, Xu; Gallagher, Kevin P.; Mauzerall, Denise L.
Abstract:
Global power generation must rapidly decarbonize by mid-century to meet the goal of stabilizing global warming below 2 degree Celsius. To meet this objective, multilateral development banks (MDBs) have gradually reduced fossil fuel and increased renewable energy financing. Meanwhile, globally active national development finance institutions (DFIs) from Japan and South Korea have continued to finance overseas coal plants. Less is known about the increasingly active Chinese DFIs. Here we construct a new dataset of China’s policy banks’ overseas power generation financing and compare their technology choices and impact on generation capacity with MDBs and Japanese and South Korean DFIs. We find Chinese DFI power financing since 2000 has dramatically increased, surpassing other East Asian national DFIs and the major MDBs’ collective public sector power financing in 2013. As most Chinese DFI financing is currently in coal, decarbonization of their power investments will be critical in reducing future carbon emissions from recipient countries.
Data set used to train a Deep Potential (DP) model for crystalline and disordered TiO2 phases. Training data contain atomic forces, potential energy, atomic coordinates and cell tensor. Energy and forces were evaluated with the density functional SCAN, as implemented in Quantum-ESPRESSO. Atomic configurations of crystalline systems were generated by random perturbation of atomic positions (0-0.3 A) and cell tensor (1-10%). Amorphous TiO2 was explored by DP molecular dynamics (DPMD) at temperatures in the range 300−2500 K and pressure in the range 0−81 GPa.
Pacheco, Diego A; Thiberge, Stephan; Pnevmatikakis, Eftychios; Murthy, Mala
Abstract:
Sensory pathways are typically studied starting at receptor neurons and following postsynaptic neurons into the brain. However, this leads to a bias in analysis of activity towards the earliest layers of processing. Here, we present new methods for volumetric neural imaging with precise across-brain registration, to characterize auditory activity throughout the entire central brain of Drosophila and make comparisons across trials, individuals, and sexes. We discover that auditory activity is present in most central brain regions and in neurons responsive to other modalities. Auditory responses are temporally diverse, but the majority of activity is tuned to courtship song features. Auditory responses are stereotyped across trials and animals in early mechanosensory regions, becoming more variable at higher layers of the putative pathway, and this variability is largely independent of spontaneous movements. This study highlights the power of using an unbiased, brain-wide approach for mapping the functional organization of sensory activity.
Data set used to train a Deep Potential (DP) model for
subcritical and supercritical water. Training data contain atomic forces,
potential energy, atomic coordinates and cell tensor. Energy and forces
were evaluated with the density functional SCAN. Atomic configurations
were extracted from DP molecular dynamics at P = 250 bar and
T = 553, 623, 663, 733 and 823 K. Input files used to train the DP model
are also provided.
Gartner, Thomas III; Zhang, Linfeng; Piaggi, Pablo; Car, Roberto; Panagiotopoulos, Athanassios; Debenedetti, Pablo
Abstract:
This dataset contains all data related to the publication "Signatures of a liquid-liquid transition in an ab initio deep neural network model for water", by Gartner et al., 2020. In this work, we used neural networks to generate a computational model for water using high-accuracy quantum chemistry calculations. Then, we used advanced molecular simulations to demonstrate evidence that suggests this model exhibits a liquid-liquid transition, a phenomenon that can explain many of water's anomalous properties. This dataset contains links to all software used, all data generated as part of this work, as well as scripts to generate and analyze all data and generate the plots reported in the publication.
This dataset includes information about approximately 6,000 books and other items with bibliographic data as well as summary information about when the item circulated in the Shakespeare and Company lending library and the number of times an item was borrowed or purchased.
The events dataset includes information about approximately 33,700 lending library events including membership activities such as subscriptions, renewals and reimbursements and book-related activities such as borrowing and purchasing. For events related to lending library cards that are available as digital surrogates, IIIF links are provided.
The Shakespeare and Company Project: Lending Library Members dataset includes information about approximately 5,700 members of Sylvia Beach's Shakespeare and Company lending library.
The Shakespeare and Company Project makes three datasets available to download in CSV and JSON formats. The datasets provide information about lending library members; the books that circulated in the lending library; and lending library events, including borrows, purchases, memberships, and renewals. The datasets may be used individually or in combination site URLs are consistent identifiers across all three. The DOIs for each dataset are as follows: Members (https://doi.org/10.34770/ht30-g395); Books (https://doi.org/10.34770/g467-3w07); Events (https://doi.org/10.34770/2r93-0t85).
Martin, James K; Sheehan, Joseph P; Bratton, Benjamin P; Moore, Gabriel M; Mateus, André; Li, Sophia Hsin-Jung; Kim, Hahn; Rabinowitz, Joshua D; Typas, Athanasios; Savitski, Mikhail M; Wilson, Maxwell Z; Gitai, Zemer
Abstract:
The rise of antibiotic resistance and declining discovery of new antibiotics have created a global health crisis. Of particular concern, no new antibiotic classes have been approved for treating Gram-negative pathogens in decades. Here, we characterize a compound, SCH-79797, that kills both Gram-negative and Gram-positive bacteria through a unique dual-targeting mechanism of action (MoA) with undetectably-low resistance frequencies. To characterize its MoA, we combined quantitative imaging, proteomic, genetic, metabolomic, and cell-based assays. This pipeline demonstrates that SCH-79797 has two independent cellular targets, folate metabolism and bacterial membrane integrity, and outperforms combination treatments in killing MRSA persisters. Building on the molecular core of SCH-79797, we developed a derivative, Irresistin-16, with increased potency and showed its efficacy against Neisseria gonorrheae in a mouse vaginal infection model. This promising antibiotic lead suggests that combining multiple MoAs onto a single chemical scaffold may be an underappreciated approach to targeting challenging bacterial pathogens.
This dataset is a sequence of laser-induced fluorescence images of a dye injected in a channel flow with canopy-like stainless steel rods simulating a vegetation canopy stand. The data is acquired close to the channel bottom at z/h=0.2, where z is the height referenced to the channel bed and h is the canopy height. The dataset provides spatial distribution of scalar concentration in a plane parallel to the channel bed. The data has been used (but the data itself has not been published or available to the public) in previous work. The references are: Ghannam, K., Poggi, D., Porporato, A., & Katul, G. (2015). The spatio-temporal statistical structure and ergodic behaviour of scalar turbulence within a rod canopy. Boundary-Layer Meteorology,157(3), 447–460. Ghannam, K, Poggi, D., Bou-Zeid, E., Katul, G. (2020). Inverse cascade evidenced by information entropy of passive scalars in submerged canopy flows. Geophysical Research Letters (accepted).
We provide all the test data and corresponding predictions for our paper, “Practical Fluorescence Reconstruction Microscopy for High-Content Imaging”. Please refer to the Methods section in this paper for experimental details. For each experimental condition, we provide the input transmitted-light images (either phase contrast or DIC), the ground truth fluorescence images, and the output predicted fluorescence images which should reconstruct the ground truth fluorescence images.
The data provided in this DataSpace consists of sample training data to be used for Fluorescence Reconstruction Microscopy (FRM) testing. We provide a subset of the keratinocyte (10x magnification) dataset used in our paper, in which interested parties may find more complete information about our data collection methods. Matched pairs of phase contrast and fluorescent images are given. The nuclei were stained using Hoechst 33342 and imaged using a standard DAPI filter set.
The data provided in this DataSpace consists of sample training data to be used for Fluorescence Reconstruction Microscopy (FRM) testing. We provide a subset of the MDCK (20x magnification) dataset used in our paper, in which interested parties may find more complete information about our data collection methods. Matched pairs of DIC and fluorescent images are given. The cells stably expressed E-cadherin:RFP which enabled imaging of junctional fluorescence, while the nuclei were stained using Hoechst 33342 and imaged using a standard DAPI filter set.
Li, Zhongshu; Gallagher, Kevin P.; Mauzerall, Denise L.
Abstract:
The dataset include a list of power projects outside of China that receive Chinese foreign direct investment from 2000 to 2018. Detailed information including project capacity, location, share of Chinese ownership, type of power generating technologies are collected for each power project.
This is the dataset for the plots presented in the article "CO2-leakage-driven diffusiophoresis causes spontaneous accumulation of charged materials in channel flow."
Natural gas vehicles (NGVs) have been promoted in China to mitigate air pollution, yet our measurements and analyses show that NGV growth in China may have significant negative impacts on climate change. We conducted real-world vehicle emission measurements in China and found high methane emissions from heavy-duty NGVs (90% higher than current emission limits). These emissions have been ignored in previous emission estimates, leading to biased results. Applying our observations to life-cycle analyses, we found that switching to NGVs from conventional vehicles in China has led to a net increase in greenhouse gas (GHG) emissions since 2000. With scenario analyses, we also show that the next decade will be critical for China to reverse the trend with the upcoming China VI standard for heavy-duty vehicles. Implementing and enforcing the China VI standard is challenging, and the method demonstrated here can provide critical information regarding the fleet-level CH4 emissions from NGVs.
Extrapolation -- the ability to make inferences that go beyond the scope of one's experiences -- is a hallmark of human intelligence. By contrast, the generalization exhibited by contemporary neural network algorithms is largely limited to interpolation between data points in their training corpora. In this paper, we consider the challenge of learning representations that support extrapolation. We introduce a novel visual analogy benchmark that allows the graded evaluation of extrapolation as a function of distance from the convex domain defined by the training data. We also introduce a simple technique, context normalization, that encourages representations that emphasize the relations between objects. We find that this technique enables a significant improvement in the ability to extrapolate, considerably outperforming a number of competitive techniques.
Yang, Yuan; Pan, Ming; Beck, Hylke; Fisher, Colby; Beighley, R. Edward; Kao, Shih-Chieh; Hong, Yang; Wood, Eric
Abstract:
Conventional basin-by-basin approaches to calibrate hydrologic models are limited to gauged basins and typically result in spatially discontinuous parameter fields. Moreover, the consequent low calibration density in space falls seriously behind the need from present-day applications like high resolution river hydrodynamic modeling. In this study we calibrated three key parameters of the Variable Infiltration Capacity (VIC) model at every 1/8° grid-cell using machine learning-based maps of four streamflow characteristics for the conterminous United States (CONUS), with a total of 52,663 grid-cells. This new calibration approach, as an alternative to parameter regionalization, applied to ungauged regions too. A key difference made here is that we tried to regionalize physical variables (streamflow characteristics) instead of model parameters whose behavior may often be less well understood. The resulting parameter fields no longer presented any spatial discontinuities and the patterns corresponded well with climate characteristics, such as aridity and runoff ratio. The calibrated parameters were evaluated against observed streamflow from 704/648 (calibration/validation period) small-to-medium-sized catchments used to derive the streamflow characteristics, 3941/3809 (calibration/validation period) small-to-medium-sized catchments not used to derive the streamflow characteristics) as well as five large basins. Comparisons indicated marked improvements in bias and Nash-Sutcliffe efficiency. Model performance was still poor in arid and semiarid regions, which is mostly due to both model structural and forcing deficiencies. Although the performance gain was limited by the relative small number of parameters to calibrate, the study and results here served as a proof-of-concept for a new promising approach for fine-scale hydrologic model calibrations.
Taylor, Jenny A.; Bratton, Benjamin P.; Sichel, Sophie R.; Blair, Kris M.; Jacobs, Holly M.; DeMeester, Kristen E.; Kuru, Erkin; Gray, Joe; Biboy, Jacob; VanNieuwenhze, Michael S.; Vollmer, Waldemar; Grimes, Catherine L.; Shaevitz, Joshua W.; Salama, Nina R.
Abstract:
Helical cell shape is necessary for efficient stomach colonization by Helicobacter pylori, but the molecular mechanisms for generating helical shape remain unclear. We show that the helical centerline pitch and radius of wild-type H. pylori cells dictate surface curvatures of considerably higher positive and negative Gaussian curvatures than those present in straight- or curved-rod bacteria. Quantitative 3D microscopy analysis of short pulses with either N-acetylmuramic acid or D-alanine metabolic probes showed that cell wall growth is enhanced at both sidewall curvature extremes. Immunofluorescence revealed MreB is most abundant at negative Gaussian curvature, while the bactofilin CcmA is most abundant at positive Gaussian curvature. Strains expressing CcmA variants with altered polymerization properties lose helical shape and associated positive Gaussian curvatures. We thus propose a model where CcmA and MreB promote PG synthesis at positive and negative Gaussian curvatures, respectively, and that this patterning is one mechanism necessary for maintaining helical shape.
Since 1850 the concentration of atmospheric methane (CH4), a potent greenhouse gas, has more than doubled. Recent studies suggest that emission inventories may be missing sources and underestimating emissions. To investigate whether offshore oil and gas platforms leak CH4 during normal operation, we measured CH4 mole fractions around eight oil and gas production platforms in the North Sea which were neither flaring gas nor off-loading oil. We use the measurements from summer 2017, along with meteorological data, in a Gaussian plume model to estimate CH4 emissions from each platform. We find CH4 mole fractions of between 11 and 370 ppb above background concentrations downwind of the platforms measured, corresponding to a median CH4 emission of 6.8 g CH4 s-1 for each platform, with a range of 2.9 to 22.3 g CH4 s-1. When matched to production records, during our measurements individual platforms lost between 0.04% and 1.4% of gas produced with a median loss of 0.23%. When the measured platforms are considered collectively, (i.e. the sum of platforms’ emission fluxes weighted by the sum of the platforms’ production), we estimate the CH4 loss to be 0.19% of gas production. These estimates are substantially higher than the emissions most recently reported to the National Atmospheric Emission Inventory (NAEI) for total CH4 loss from United Kingdom platforms in the North Sea. The NAEI reports CH4 losses from the offshore oil and gas platforms we measured to be 0.13% of gas production, with most of their emissions coming from gas flaring and offshore oil loading, neither of which were taking place at the time of our measurements. All oil and gas platforms we observed were found to leak CH4 during normal operation and much of this leakage has not been included in UK emission inventories. Further research is required to accurately determine total CH4 leakage from all offshore oil and gas operations and to properly include the leakage in national and international emission inventories.
Explosive volcanic eruptions have large climate impacts, and can serve as observable tests of the climatic response to radiative forcing. Using a high resolution climate model, we contrast the climate responses to Pinatubo, with symmetric forcing, and those to Santa Maria and Agung, which had meridionally asymmetric forcing. Although Pinatubo had larger global-mean forcing, asymmetric forcing strongly shifts the latitude of tropical rainfall features, leading to larger local precipitation/TC changes. For example, North Atlantic TC activity over is enhanced/reduced by SH-forcing (Agung)/NH-forcing (Santa Maria), but changes little in response to the Pinatubo forcing. Moreover, the transient climate sensitivity estimated from the response to Santa Maria is 20% larger than that from Pinatubo or Agung. This spread in climatic impacts of volcanoes needs to be considered when evaluating the role of volcanoes in global and regional climate, and serves to contextualize the well-observed response to Pinatubo.
Berryman, Eleanor J.; Winey, J. M.; Gupta, Yogendra M.; Duffy, Thomas S.
Abstract:
Stishovite (rutile-type SiO2) is the archetype of dense silicates and may occur in post-garnet eclogitic rocks at lower-mantle conditions. Sound velocities in stishovite are fundamental to understanding its mechanical and thermodynamic behavior at high pressure and temperature. Here, we use plate-impact experiments combined with velocity interferometry to determine the stress, density, and longitudinal sound speed in stishovite formed during shock compression of fused silica at 44 GPa and above. The measured sound speeds range from 12.3(8) km/s at 43.8(8) GPa to 9.8(4) km/s at 72.7(11) GPa. The decrease observed at 64 GPa reacts a decrease in the shear modulus of stishovite, likely due to the onset of melting. By 72 GPa, the measured sound speed agrees with the theoretical bulk sound speed indicating loss of all shear stiffness due to complete melting. Our sound velocity results provide direct evidence for shock-induced melting, in agreement with previous pyrometry data.
In 2017, seven members of the Archive-It Mid-Atlantic Users Group (AITMA) conducted a study of 14 subjects representative of their stakeholder populations to assess the usability of Archive-It, a web archiving subscription service of the Internet Archive. While Archive-It is the most widely-used tool for web archiving, little is known about how users interact with the service. This study intended to teach us what users expect from web archives, which exist as another form of archival material. End-user subjects executed four search tasks using the public Archive-It interface and the Wayback Machine to access archived information on websites from the facilitators’ own harvested collections and provide feedback about their experiences. The tasks were designed to have straightforward pass or fail outcomes, and the facilitators took notes on the subjects’ behavior and commentary during the sessions. Overall, participants reported mildly positive impressions of Archive-It public user interface based on their session. The study identified several key areas of improvement for the Archive-It service pertaining to metadata options, terminology display, indexing of dates, and the site’s search box.
Pereira, Talmo D.; Aldarondo, Diego E.; Willmore, Lindsay; Kislin, Mikhail; Wang, Samuel S.-H.; Murthy, Mala; Shaevitz, Joshua W.
Abstract:
Recent work quantifying postural dynamics has attempted to define the repertoire of behaviors performed by an animal. However, a major drawback to these techniques has been their reliance on dimensionality reduction of images which destroys information about which parts of the body are used in each behavior. To address this issue, we introduce a deep learning-based method for pose estimation, LEAP (LEAP Estimates Animal Pose). LEAP automatically predicts the positions of animal body parts using a deep convolutional neural network with as little as 10 frames of labeled data for training. This framework consists of a graphical interface for interactive labeling of body parts and software for training the network and fast prediction on new data (1 hr to train, 185 Hz predictions). We validate LEAP using videos of freely behaving fruit flies (Drosophila melanogaster) and track 32 distinct points on the body to fully describe the pose of the head, body, wings, and legs with an error rate of <3% of the animal's body length. We recapitulate a number of reported findings on insect gait dynamics and show LEAP's applicability as the first step in unsupervised behavioral classification. Finally, we extend the method to more challenging imaging situations (pairs of flies moving on a mesh-like background) and movies from freely moving mice (Mus musculus) where we track the full conformation of the head, body, and limbs.
Geochemical and geomechanical perturbations of the subsurface caused by the injection of fluids present the risk of leakage and seismicity. This study investigated how flow of acidic fluids affects hydraulic and frictional properties of fractures using experiments with 3.8 cm-long specimens of Eagle Ford shale, a laminated shale with carbonate-rich strata. In low-pressure flow cells, one set of samples was exposed to an acidic brine and another set was exposed to a neutral brine. X-ray computed tomography and x-ray fluorescence analysis revealed that samples exposed to the acidic brine were calcite-depleted and had developed a porous altered layer, while the other set showed little evidence of alteration. After reaction, samples were compacted and sheared in a triaxial cell that supplied normal stress and differential pore pressure at prescribed sliding velocities, independently measuring friction and permeability. During the initial compaction, the porous altered layer collapsed into fine particles that filled the fracture aperture. This effectively impeded flow and sealed the fracture, resulting in a decrease in fracture permeability by 1 to 2 orders of magnitude relative to the compressed unaltered fractures. During shear, the collapsed layer of fine-grained particles prevented the formation of interlocking micro-asperities resulting in lower frictional strength. With regard to subsurface risks, this study showcases how coupled geochemical and geomechanical processes could favorably seal fractures to inhibit leakage, but also could increase the likelihood of induced seismicity. These findings have important implications for geological carbon sequestration, pressurized fluid energy storage, geothermal energy, and other subsurface technologies.
