This dataset includes individual CIF files with the refined structure of fluorapatite under compression to 61 GPa. The structures have been discussed in detail in the accompanying manuscript "Single-crystal X-ray diffraction of fluorapatite to 61 GPa"
The dataset contains the model file for the Global Adjoint Tomography Model 25 (GLAD-M25). The model file contains parameters defined on the spectral-element mesh and is recommend to be used in SPECFEM3D GLOBE for seismic wave simulation at the global scale.
This dataset contains input and output files to reproduce the results of the manuscript "Homogeneous ice nucleation in an ab initio machine learning model" by Pablo M. Piaggi, Jack Weis, Athanassios Z. Panagiotopoulos, Pablo G. Debenedetti, and Roberto Car (arXiv preprint https://arxiv.org/abs/2203.01376). In this work, we studied the homogeneous nucleation of ice from supercooled liquid water using a machine learning model trained on ab initio energies and forces. Since nucleation takes place over times much longer than the simulation times that can be afforded using molecular dynamics simulations, we make use of the seeding technique that is based on simulating an ice cluster embedded in liquid water. The key quantity provided by the seeding technique is the size of the critical cluster (i.e., a size such that the cluster has equal probabilities of growing or shrinking at the given supersaturation). Using data from the seeding simulations and the equations of classical nucleation theory we compute nucleation rates that can be compared with experiments.
This dataset comprises of data associated with the publication "Transferability of data-driven, many-body models for CO2 simulations in the vapor and liquid phases", which can be found at https://doi.org/10.1063/5.0080061. The data includes calculations for a Many-Body decomposition, virial coefficient calculations, orientational molecular scan energies, potential energy fields, correlation plots of training and testing data, vapor-liquid equilibrium simulations, liquid density simulations, and solid cell simulations.
The bitKlavier Grand consists of sample collections of a new Steinway D grand piano from nine different stereo mic images, with: 16 velocity layers, at every minor 3rd (starting at A0); Hammer release samples; Release resonance samples; Pedal samples. Release packages at 96k/24bit, 88.2k/24bit, 48k/24bit, 44.1k/16bit are available for various applications.
The bitKlavier Grand consists of sample collections of a new Steinway D grand piano from nine different stereo mic images, with: 16 velocity layers, at every minor 3rd (starting at A0); Hammer release samples; Release resonance samples; Pedal samples.
Release packages at 96k/24bit, 88.2k/24bit, 48k/24bit, 44.1k/16bit are available for various applications.
The bitKlavier Grand consists of sample collections of a new Steinway D grand piano from nine different stereo mic images, with: 16 velocity layers, at every minor 3rd (starting at A0); Hammer release samples; Release resonance samples; Pedal samples. Release packages at 96k/24bit, 88.2k/24bit, 48k/24bit, 44.1k/16bit are available for various applications.
The bitKlavier Grand consists of sample collections of a new Steinway D grand piano from nine different stereo mic images, with: 16 velocity layers, at every minor 3rd (starting at A0); Hammer release samples; Release resonance samples; Pedal samples. Release packages at 96k/24bit, 88.2k/24bit, 48k/24bit, 44.1k/16bit are available for various applications.
The bitKlavier Grand consists of sample collections of a new Steinway D grand piano from nine different stereo mic images, with: 16 velocity layers, at every minor 3rd (starting at A0); Hammer release samples; Release resonance samples; Pedal samples. Release packages at 96k/24bit, 88.2k/24bit, 48k/24bit, 44.1k/16bit are available for various applications.
The bitKlavier Grand consists of sample collections of a new Steinway D grand piano from nine different stereo mic images, with: 16 velocity layers, at every minor 3rd (starting at A0); Hammer release samples; Release resonance samples; Pedal samples. Release packages at 96k/24bit, 88.2k/24bit, 48k/24bit, 44.1k/16bit are available for various applications.
The bitKlavier Grand consists of sample collections of a new Steinway D grand piano from nine different stereo mic images, with: 16 velocity layers, at every minor 3rd (starting at A0); Hammer release samples; Release resonance samples; Pedal samples. Release packages at 96k/24bit, 88.2k/24bit, 48k/24bit, 44.1k/16bit are available for various applications.
This archive contains spike trains simultaneously recorded from ganglion cells in the tiger salamander retina with a multi-electrode array while viewing a repeated natural movie clip. These data have been analyzed in previous papers, notably Puchalla et al. Neuron 2005 and Schneidman et al. Nature 2006.
Sharma, A. Y.; Cole, M. D. J.; Görler, T.; Chen, Y.; Hatch, D. R.; Guttenfelder, W.; Hager, R.; Sturdevant, B. J.; Ku, S.; Mishchenko, A.; Chang, C. S.
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 Shakespeare and Company Project: Lending Library Events dataset includes information about approximately 35,000 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 5,200 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.
Kraus, B. Frances; Gao, Lan; Hill, K. W.; Bitter, M.; Efthimion, P. C.; Hollinger, R.; Wang, Shoujun; Song, Huanyu; Nedbailo, R.; Rocca, J. J.; Mancini, R. C.; MacDonald, M. J.; Beatty, C. B.; Shepherd, R.
Hill, K. W.; Gao, L.; Kraus, B. F.; Bitter, M.; Efthimion, P. C.; Pablant, N. A.; Schneider, M. B.; Thorn, D. B.; Chen, H.; Kauffman, R. L.; Liedahl, D. A.; MacDonald, M. J.; MacPhee, A. J.; Scott, H. A.; Stoupin, S.; Doron, R.; Stambulchik, E.; Maron, Y.; Lahmann, B.
Catalog of Global CMTSOLUTIONs inverted using 3D Green functions that were computed with the adjoint tomography model GLAD-M25. The full methodology of the inversion procedure is described in the accompanying journal article of the same name.
Zhou, Mi; Peng, Liqun; Zhang, Lin; Mauzerall, Denise L.
Abstract:
This dataset is created for the paper titled 'Environmental Benefits and Household Costs of Clean Heating Options in Northern China' and published on Nature Sustainability. Based on a 2015 regional anthropogenic emission inventory (base case), we propose seven counterfactual scenarios in which all 2015 residential solid fuel heating in northern China switches to one of the following non-district heating options: clean coal with improved stoves (CCIS), natural gas heaters (NGH), resistance heaters (RH), or air-to-air heat pumps (AAHP). This dataset provides the following gridded information for the base case and each clean heating scenario: (1) annual residential heating emissions for PM2.5/NOx/SO2; (2) monthly mean surface PM2.5 concentrations from the WRF-Chem model; (3) annual PM2.5-related premature deaths calculated by the GEMM model; (4) 2015 population in China; (5) mask for provinces in China; (6) longitude and latitude of each grid center.
Bourrianne, Philippe; Chidzik, Stanley; Cohen, Daniel; Elmer, Peter; Hallowell, Thomas; Kilbaugh, Todd J.; Lange, David; Leifer, Andrew M.; Marlow, Daniel R.; Meyers, Peter D.; Normand, Edna; Nunes, Janine; Oh, Myungchul; Page, Lyman; Periera, Talmo; Pivarski, Jim; Schreiner, Henry; Stone, Howard A.; Tank, David W.; Thiberge, Stephan; Tully, Christopher
Abstract:
The detailed information on the design and construction of the Princeton Open Ventilation Monitor device and software are contained in this data repository. This information consists of the electrical design files, mechanical design files, bill of materials, human subject recording and analysis code, and a copy of the code repository for operating the patient monitors and central station.
Derrida’s Margins <derridas-margins.princeton.edu> is a website and online research tool for annotations from the Library of Jacques Derrida, housed at Princeton University Library (PUL) <library.princeton.edu>. Jacques Derrida is one of the major figures of twentieth-century thought, and his library--which bears the traces of decades of close reading--represents a major intellectual archive. This project focused on annotations related to Derrida’s landmark 1967 work De la grammatologie (Of Grammatology).
This entry contains video files and tabular data associated with the PhD dissertation titled: The Evolution and Regulation of Morphological Complexity in the Vibrios.
Pan, Da; Gelfand, Ilya; Tao, Lei; Abraha, Michael; Sun, Kang; Guo, Xuehui; Chen, Jiquan; Robertson, G. Philip; Zondlo, Mark A.
Abstract:
This dataset contains spectroscopic simulations, experimental results for the 2202 cm-1 N2O absorption line, and N2O flux measurements shown in "A New Open-path Eddy Covariance Method for N2O and Other Trace Gases that Minimizes Temperature Corrections" by Da Pan, Ilya Gelfand, Lei Tao, Michael Abraha, Kang Sun, Xuehui Guo, Jiquan Chen, G. Philip Robertson, and Mark A. Zondlo. The HITRAN Application Programming Interface (HAPI) with HITRAN 2016 was used for spectroscopic simulations. Experiments were conducted to quantify H2O-broadened half-width at half maximum and validate spectroscopic simulations. N2O flux was measured with both eddy covariance and static chamber methods.
The dataset is a compilation of real time ground observations of criteria pollutants monitored at the Central Pollution Control Board (CPCB) continuous stations in India, from 2015-2019. Pollutants included are PM2.5, PM10, SO2, NO2 and O3 and are archived at every hour for all stations across India.
Derrida’s Margins <derridas-margins.princeton.edu> is a website and online research tool for annotations from the Library of Jacques Derrida, housed at Princeton University Library (PUL) <library.princeton.edu>. Jacques Derrida is one of the major figures of twentieth-century thought, and his library--which bears the traces of decades of close reading--represents a major intellectual archive. This project focused on annotations related to Derrida’s landmark 1967 work De la grammatologie (Of Grammatology).
This is the raw experimental dataset and the corresponding code to reproduce plots from the paper "Shear-induced migration of confined flexible fibers".
Severe acute respiratory coronavirus 2 (SARS-CoV-2), the causative agent of COVID-19, is of zoonotic origin. Evolutionary analyses assessing whether coronaviruses similar to SARS-CoV-2 infected ancestral species of modern-day animal hosts could be useful in identifying additional reservoirs of potentially dangerous coronaviruses. We reasoned that if a clade of species has been repeatedly exposed to a virus, then their proteins relevant for viral entry may exhibit adaptations that affect host susceptibility or response. We perform comparative analyses across the mammalian phylogeny of angiotensin-converting enzyme 2 (ACE2), the cellular receptor for SARS-CoV-2, in order to uncover evidence for selection acting at its binding interface with the SARS-CoV-2 spike protein. We uncover that in rodents there is evidence for adaptive amino acid substitutions at positions comprising the ACE2-spike interaction interface, whereas the variation within ACE2 proteins in primates and some other mammalian clades is not consistent with evolutionary adaptations. We also analyze aminopeptidase N (APN), the receptor for the human coronavirus 229E, a virus that causes the common cold, and find evidence for adaptation in primates. Altogether, our results suggest that the rodent and primate lineages may have had ancient exposures to viruses similar to SARS-CoV-2 and HCoV-229E, respectively. Included in this repository are the instructions and corresponding code required to build the dataset and run the analysis in the manuscript.
These data include 39 structured interview transcripts. Each case is someone who worked at the time for Uber, UberEats, Lyft, and/or Amazon Flex (Amazon’s contractor delivery service). These data were collected between July and September 2019. All but one of the interviews occurred over the phone. My questions are focused on the structure of their gig work jobs and the technology they used at work or expected to use at work in the future. I included a description of the data, the recruitment methods, and the discussion guide in this ReadMe file.
Brunner, Claudia E.; Kiefer, Janik; Hansen, Martin O. L.; Hultmark, Marcus
Abstract:
Reynolds number effects on the aerodynamics of the moderately thick NACA 0021 airfoil were experimentally studied by means of surface-pressure measurements. The use of a high-pressure wind tunnel allowed for variation of the chord Reynolds number over a range of 5.0 × 10^5 ≤ Re_c ≤ 7.9 × 10^6. The angle of attack was incrementally increased and decreased over a range of 0° ≤ alpha ≤ 40°, spanning both the attached and stalled regime at all Reynolds numbers. As such, attached and separated conditions, as well as the static stall and reattachment processes were studied. A fundamental change in the flow behaviour was observed around Re_c= 2.0 × 10^6. As the Reynolds number was increased beyond this value, the stall type gradually shifted from trailing-edge stall to leading-edge stall. The stall angle and the maximum lift coefficient increased with Reynolds number. Once the flow was separated, the separation point moved upstream and the suction peak decreased in magnitude with increasing Reynolds number. Two distinct types of hysteresis in reattachment were observed.
Petsev, Nikolai D.; Stillinger, Frank H.; Debenedetti, Pablo G.
Abstract:
Source code for our energy-conserving reformulation of the 4-site molecular model for chiral phenomena originally introduced by Latinwo et al. [F. Latinwo, F. H. Stillinger, and P. G. Debenedetti, Molecular Model for Chirality Phenomena, J. Chem. Phys. 145, 154503 (2016)]. The reformulation includes an additional 8-body force that arises from an explicit configuration-dependent term in the potential energy function, resulting in a coarse-grained energy-conserving force field for molecular dynamics simulations of chirality phenomena. In this model, the coarse-grained interaction energy between two tetramers depends on their respective chiralities, and is controlled by a parameter λ, where favors local configurations involving tetramers of opposite chirality, and gives energetic preference to configurations involving tetramers of the same chirality. The source code is for use with the LAMMPS simulation package.
Monitoring the attention of others is fundamental to social cognition. Most of the literature on the topic assumes that our social cognitive machinery is tuned specifically to the gaze direction of others as a proxy for attention. This standard assumption reduces attention to an externally visible parameter. Here we show that this assumption is wrong and a deeper, more meaningful representation is involved. We presented subjects with two cues about the attentional state of a face: direction of gaze and emotional expression. We tested whether people relied predominantly on one cue, the other, or both. If the traditional view is correct, then the gaze cue should dominate. Instead, people employed a variety of strategies, some relying on gaze, some on expression, and some on an integration of cues. We also assessed people’s social cognitive ability using two, independent, standard tests. If the traditional view is correct, then social cognitive ability, as assessed by the independent tests, should correlate with the degree to which people successfully use the gaze cue to judge the attention state of the face. Instead, social cognitive ability correlated best with the degree to which people successfully integrated the cues together, instead of with the use of any one specific cue. The results suggest a rethink of a fundamental component of social cognition: monitoring the attention of others involves constructing a deep model that is informed by a combination of cues. Attention is a rich process and monitoring the attention of others involves a similarly rich representation.
Chen, Xu; Li, Zhongshu; Gallagher, Kevin P.; Mauzerall, Denise L.
Abstract:
Power sector decarbonization requires a fundamental redirection of global finance from fossil fuel infrastructure towards low carbon technologies. Bilateral finance plays an important role in the global energy transition to non-fossil energy, but an understanding of its impact is limited. Here, for the first time, we compare the influence of overseas finance from the three largest economies – United States, China, and Japan – on power generation development beyond their borders and evaluate the associated long-term CO2 emissions. We construct a new dataset of Japanese and U.S. overseas power generation finance between 2000-2018 by analyzing their national development finance institutions’ press releases and annual reports and tracking their foreign direct investment at the power plant level. Synthesizing this new data with previously developed datasets for China, we find that the three countries’ overseas financing concentrated in fossil fuel power technologies over the studied period. Financing commitments from China, Japan, and the United States facilitated 101 GW, 95 GW, and 47 GW overseas power capacity additions, respectively. The majority of facilitated capacity additions are fossil fuel plants (64% for China, 87% for Japan, and 66% for the United States). Each of the countries’ contributions to non-hydro renewable generation was less than 15% of their facilitated capacity additions. Together, we estimate that overseas fossil fuel power financing through 2018 from these three countries will lock in 24 Gt CO2 emissions by 2060. If climate targets are to be met, replacing bilateral fossil fuel financing with financing of renewable technologies is crucial.
Here we publish the data used in paper "Junming Huang, Gavin Cook, and Yu Xie, Large-scale Quantitative Evidence of Media Impact on Public Opinion toward China". This dataset include estimated sentiments on The New York Times on China in eight topics from 1970 to 2019, and a time series of public attitude aggregated from surveys on China.
Bhattacharjee, Tapomoy; Amchin, Daniel; Alert, Ricard; Ott, Jenna; Datta, Sujit
Abstract:
Collective migration -- the directed, coordinated motion of many self-propelled agents -- is a fascinating emergent behavior exhibited by active matter that has key functional implications for biological systems. Extensive studies have elucidated the different ways in which this phenomenon may arise. Nevertheless, how collective migration can persist when a population is confronted with perturbations, which inevitably arise in complex settings, is poorly understood. Here, by combining experiments and simulations, we describe a mechanism by which collectively migrating populations smooth out large-scale perturbations in their overall morphology, enabling their constituents to continue to migrate together. We focus on the canonical example of chemotactic migration of Escherichia coli, in which fronts of cells move via directed motion, or chemotaxis, in response to a self-generated nutrient gradient. We identify two distinct modes in which chemotaxis influences the morphology of the population: cells in different locations along a front migrate at different velocities due to spatial variations in (i) the local nutrient gradient and in (ii) the ability of cells to sense and respond to the local nutrient gradient. While the first mode is destabilizing, the second mode is stabilizing and dominates, ultimately driving smoothing of the overall population and enabling continued collective migration. This process is autonomous, arising without any external intervention; instead, it is a population-scale consequence of the manner in which individual cells transduce external signals. Our findings thus provide insights to predict, and potentially control, the collective migration and morphology of cell populations and diverse other forms of active matter.
China is the world's largest carbon emitter and suffers from severe air pollution. About one million deaths in China were attributable to air pollution in 2017. Alternative energy vehicles (AEVs), e.g. electric, hydrogen fuel cell, and natural gas vehicles, can help achieve both carbon emission mitigation and air quality improvement. However, climate, air quality and health co-benefit of AEVs powered by deeply decarbonized electricity generation remain poorly quantified. Here, we conduct a quantitative integrated assessment of the air quality, health, carbon emission mitigation and economic benefits of AEV deployment as the electricity grid decarbonizes in China. We find population-weighted annual PM2.5 and summer O3 concentration can decrease as large as 5.7μgm−3 and 4.9ppb. Annual avoided premature mortalities and years of life lost resulting from improved ambient air pollution can be as large as ~329,000 persons and ~1,611,000 years. We thus show that maximizing climate, air quality and health benefits of AEV deployment in China requires rapid decarbonization of the power system.
This setup mimics ice lying above the drainage system. In the experiment, a fluid-filled blister is generated via liquid injection into the interface between a transparent elastic layer and a porous substrate. After injection of liquid, the fluid permeates from the blister through the porous substrate, the blister volume V(t) relaxes exponentially with time. Our lab experiments show that varying the permeability of the porous substrate k significantly impacts the relaxation timescale in the experiments.
The carbon isotopic (δ13C) composition of shallow-water carbonates often is interpreted to reflect the δ13C of the global ocean and is used as a proxy for changes in the global carbon cycle. However, local platform processes, in addition to meteoric and marine diagenesis, may decouple carbonate δ13C from that of the global ocean. To shed light on the extent to which changing sediment grain composition may produce δ13C shifts in the stratigraphic record, we present new δ13C measurements of benthic foraminifera, solitary corals, calcifying green algae, ooids, coated grains, and lime mud from the modern Great Bahama Bank (GBB). This survey of a modern carbonate environment reveals δ13C variability comparable to the largest δ13C excursions in the last two billion years of Earth history.
The history of organismal evolution, seawater chemistry, and paleoclimate is recorded in layers of carbonate sedimentary rock. Meter-scale cyclic stacking patterns in these carbonates often are interpreted as representing sea level change. A reliable sedimentary proxy for eustasy would be profoundly useful for reconstructing paleoclimate, since sea level responds to changes in temperature and ice volume. However, the translation from water depth to carbonate layering has proven difficult, with recent surveys of modern shallow water platforms revealing little correlation between carbonate facies (i.e., grain size, sedimentary bed forms, ecology) and water depth. We train a convolutional neural network with satellite imagery and new field observations from a 3,000 km2 region northwest of Andros Island (Bahamas) to generate a facies map with 5 m resolution. Leveraging a newly-published bathymetry for the same region, we test the hypothesis that one can extract a signal of water depth change, not simply from individual facies, but from sequences of facies transitions analogous to vertically stacked carbonate strata. Our Hidden Markov Model (HMM) can distinguish relative sea level fall from random variability with ∼90% accuracy. Finally, since shallowing-upward patterns can result from local (autogenic) processes in addition to forced mechanisms such as eustasy, we search for statistical tools to diagnose the presence or absence of external forcings on relative sea level. With a new data-driven forward model that simulates how modern facies mosaics evolve to stack strata, we show how different sea level forcings generate characteristic patterns of cycle thicknesses in shallow carbonates, providing a new tool for quantitative reconstruction of ancient sea level conditions from the geologic record.
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 Shakespeare and Company Project: Lending Library Events dataset includes information about approximately 35,000 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 5,600 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/nsa4-3t76); Books (https://doi.org/10.34770/079z-h206); Events (https://doi.org/10.34770/rtbp-kv40).
Martin, Nicholas R; Blackman, Edith; Bratton, Benjamin P; Chase, Katelyn J; Bartlett, Thomas M; Gitai, Zemer
Abstract:
Bacterial species have diverse cell shapes that enable motility, colonization, and virulence. The cell wall defines bacterial shape and is primarily built by two cytoskeleton-guided synthesis machines, the elongasome and the divisome. However, the mechanisms producing complex shapes, like the curved-rod shape of Vibrio cholerae, are incompletely defined. Previous studies have reported that species-specific regulation of cytoskeleton-guided machines enables formation of complex bacterial shapes such as cell curvature and cellular appendages. In contrast, we report that CrvA and CrvB are sufficient to induce complex cell shape autonomously of the cytoskeleton in V. cholerae. The autonomy of the CrvAB module also enables it to induce curvature in the Gram-negative species Escherichia coli, Pseudomonas aeruginosa, Caulobacter crescentus, and Agrobacterium tumefaciens. Using inducible gene expression, quantitative microscopy, and biochemistry we show that CrvA and CrvB circumvent the need for patterning via cytoskeletal elements by regulating each other to form an asymmetrically-localized, periplasmic structure that directly binds to the cell wall. The assembly and disassembly of this periplasmic structure enables dynamic changes in cell shape. Bioinformatics indicate that CrvA and CrvB may have diverged from a single ancestral hybrid protein. Using fusion experiments in V. cholerae, we find that a synthetic CrvA/B hybrid protein is sufficient to induce curvature on its own, but that expression of two distinct proteins, CrvA and CrvB, promotes more rapid curvature induction. We conclude that morphological complexity can arise independently of cell shape specification by the core cytoskeleton-guided synthesis machines.
Elevated reactive nitrogen (Nr) deposition is a concern for alpine ecosystems, and dry NH3 deposition is a key contributor. Understanding how emission hotspots impact downwind ecosystems through dry NH3 deposition provides opportunities for effective mitigation. However, direct NH3 flux measurements with sufficient temporal resolution to quantify such events are rare. Here, we measured NH3 fluxes at Rocky Mountain National Park (RMNP) during two summers and analyzed transport events from upwind agricultural and urban sources in northeastern Colorado. We deployed open-path NH3 sensors on a mobile laboratory and an eddy covariance tower to measure NH3 concentrations and fluxes. Our spatial sampling illustrated an upslope event that transported NH3 emissions from the hotspot to RMNP. Observed NH3 deposition was significantly higher when backtrajectories passed through only the agricultural region (7.9 ng m-2 s-1) versus only the urban area (1.0 ng m-2 s-1) and both urban and agricultural areas (2.7 ng m-2 s-1). Cumulative NH3 fluxes were calculated using observed, bidirectional modeled, and gap-filled fluxes. More than 40% of the total dry NH3 deposition occurred when air masses were traced back to agricultural source regions. More generally, we identified that 10 (25) more national parks in the U.S. are within 100 (200) km of an NH3 hotspot, and more observations are needed to quantify the impacts of these hotspots on dry NH3 depositions in these regions.
Muniz, Maria Carolina; Gartner III, Thomas E.; Riera, Marc; Knight, Christopher; Yue, Shuwen; Paesani, Francesco; Panagiotopoulos, Athanassios Z.
Abstract:
This dataset contains all data (including input files, simulation trajectories as well as other data files and analysis scripts) related to the publication "Vapor-liquid equilibrium of water with the MB-pol many-body potential" by Muniz et al. in preparation (2021). In this work, we assessed the performance of the MB-pol many-body potential with respect to water's vapor-liquid equilibrium properties. Through the use of direct coexistence molecular dynamics, we calculated properties such as coexistence densities, surface tension, vapor pressures and enthalpy of vaporization. We found that MB-pol is able to predict these properties in good agreement with experimental data. The results attest to the chemical accuracy of MB-pol and its large range of application across water's phase diagram.
