Errata: Due to a coding error, monthly files with "dma8epax" statistics were wrongly aggregated. This concerns all gridded files of this metric as well as the monthly aggregated csv files. All erroneous files were replaced with corrected versions on Jan, 16th, 2018. Each updated file contains a version label "1.1" and a brief description of the error. If you have made use of previous TOAR data files with the "dma8epax" metric, please exchange your data...

Ocean acidification and warming are affecting with special intensity the Arctic Ocean. Arctic coastal ecosystems are dominated by kelp forests with a high biomass production, which are expected to be directly affected by the increases in CO2 and temperature. This study presents the different physiological responses of the Arctic kelps Saccharina latissima and Laminaria solidungula from Kongsfjorden (Svalbard) cultured at 4 and 9 °C in combination with current (390 ppm) and increased (1200 ppm) levels...

A cylindrical dog bone specimen from NiTi shape memory alloy is loaded in tension at room temperature for eleven cycles. Maximum stress in each cycle is approximately 220 MPa. The experiment is performed in-situ at Sector 1, beam line 1ID-E of Advanced Photon Source, Argonne National Laboratory. Using far-field high-energy diffraction microscopy technique, grain centroids, grain-averaged lattice strain tensor, grain volume, and grain-averaged crystal orientation are obtained at the start of the first cycle and...

We present a modification to variational Monte Carlo’s linear method optimization scheme that addresses a critical memory bottleneck while maintaining compatibility with both the traditional ground state variational principle and our recently-introduced variational principle for excited states. For wave function ansatzes with tens of thou- sands of variables, our modification reduces the required memory per parallel process from tens of gigabytes to hundreds of megabytes, making the methodology a much bet- ter fit for modern...

This is a dataset collecting high accuracy quantum Monte Carlo (QMC) results for pnictide and cuprate compounds, some of which are high temperature superconductors. Our trial wavefunction consists of a Slater determinant augmented by a Jastrow factor. We construct the Slater determinant using orbitals from density functional theory (DFT). Our DFT calculations are done using the CRYSTAL package, with the PBE0 functional. We use Burkatzki-Filippi-Dolg pseudopotentials to replace the core electrons. We then use the...

This dataset demonstrate the improved solute transport in hcp Mg through exact diffusion theory:Green function approach. We report the database of 61 solutes consisting of solute diffusivity and solute drag ratio. We also report the results from previously used approximate models of diffusion namely 8-frequency and 13-frequency models. The parameters needed for the diffusion models i.e. binding energy, migration barrier and attempt frequency are obtained through density functional theory calculations

This dataset contains raw data, analysis/graphing scripts, and additional figures for "Delayed Slater determinant update algorithms for high efficiency quantum Monte Carlo" by T. McDaniel, E. F. D’Azevedo, Y. W. Li, K. Wong, and P. R. C. Kent.

This data corresponds to the characterization of a transfer-free ultrathin heterostructure of a 2D semiconductor and high-k dielectric, and the resulting field-effect transistors. Monolayer MoS2 was grown directly via chemical vapor deposition on 20 nm of amorphous alumina deposited via atomic layer deposition on a silicon substrate. This method of integrating 2D MoS2 with a high-k dielectric results in superior performance in low-power electronics figures of merit. DOI: doi.org/10.1063/1.4975064

Errata: On Dec 2nd, 2018, several yearly statistics files were replaced with new versions to correct an inconsistency related to the computation of the "dma8epax" statistics. As written in Schultz et al. (2017) [https://doi.org/10.1525/elementa.244], Supplement 1, Table 6: "When the aggregation period is “seasonal”, “summer”, or “annual”, the 4th highest daily 8-hour maximum of the aggregation period will be computed.". The data values for these aggregation periods are correct, however, the header information in the...

The programs in this distribution comprise a collection of python tools that have been used in the preparation and quality control of surface ozone datasets that were used in the first Tropospheric Ozone Assessment Report (TOAR). Many of these programs will require access to the TOAR database with hourly observations, so that you will not be able to run these tools. Other programs (for example in the statistics or cdm directories) can be adapted for...

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