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openmit-licenseMar 2022View details →

Rapid discovery of stable materials by coordinate-free coarse graining

Prospective density function theory (DFT) calculations carried out on novel material structures predicted to be stable by the Wren model. In total 5,675 materials were selected for validation. Of these converged results were obtained for 4,721 structures. Calculations were conducting using the VASP DFT code with the settings and pseudopotentials selected such that the data is compatible with the Materials Project. A README file is included that describes how to load the data and the contents of the DataFrame.

opencc-by-4.0Nov 2020View details →

Two dimensional materials for photonic devices

Video-presentation with the summary of the two dimensional materials for photonic devices project. This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 840064

Supplementary materials of LCA

Supplementary data for chapter 6 of thesis.

Data for: Nawrocka et al., Variable-temperature NMR spectroscopy for metabolite identification in biological materials, RSC Adv., 2021, 11, 35321, DOI: 10.1039/d1ra05626c

Raw NMR spectrometer data (Varian/Agilent format) for the paper Nawrocka et al., Variable-temperature NMR spectroscopy for metabolite identification in biological materials, RSC Adv., 2021, 11, 35321, DOI: 10.1039/d1ra05626c Includes variable-temperature series for artificial and natural mixtures of metabolites and spectra of  separate metabolites.

Additional Material for Architecture Smell Ontology

This is the dataset of our literature review study on Architecture Smells. We provide the decisive exclusion criteria for excluded studies and the classification for included studies. We exported OWL file of the ontology from Protégé and included the tables of the architecture smells and the connected quality attributes and design principles. The study protocol is also included.

TERMINUS WP6: Prototype device for sorting and separation. Reprocessing of materials. TASK 6.2: Performances of packaging in use.

Astrid E. Delorme, Tanja Radusin, Petri Myllytie, Vincent Verney and Haroutioun Askanian: Enhancement of Gas Barrier Properties and Durability of Poly(butylene succinate-co-butylene adipate)-Based Nanocomposites for Food Packaging Applications. Nanomaterials 2022, 12, 978. https://doi.org/10.3390/ nano12060978   Abstract Poly(butylene succinate-co-butylene adipate), PBSA, based materials are receiving growing attention in the packaging industry for their promising biodegradability. However, poor gas barrier properties and low durability of biodegradable polymers, such as PBSA, have limited their wide-spread use in food packaging applications. Here we report a scalable solution to improve gas barrier properties and stabilize PBSA against photo-aging, with minimal modifications to the biodegradable polymer backbone by using a commercially available and biocompatible layered double hydroxide, LDH, filler. We investigate and compare the mechanical, gas barrier and photoaging properties of PBSA and PBSA-LDH nanocomposite films produced on pilot scale. An increase in rigidity in the nanocomposite was observed upon addition of LDH fillers to neat PBSA, which direct the application of neat PBSA and PBSA-LDH nanocomposite to different food packaging applications. The addition of LDH fillers into neat PBSA improves the oxygen and water vapour barriers for the PBSA based nanocomposites, which increases the attractiveness of PBSA material in food packaging applications. Through changes in the viscoelastic behaviour, we observe an improved photo-durability of photoaged PBSA-LDH nanocomposites compared to neat PBSA. It is clear from our studies that the presence of LDH enhances the lifetime durability and modulates the photodegradation rate of the elaborated biocomposites.   Dataset This dataset contains all the rheological, UV-Vis, DSC, TGA, IR Tensile testing, Gas Barrier and DSC raw data used to generate graphs and discussions in the article “Enhancement of gas barrier properties and durability of Poly(butylene succinate-co-butylene adipate)-based nanocom-posites for food packaging applications” doi . Data are available in a compressed .zip file with 1 folder (Packaging-performances-PBSA-LDH_v01_TER_WP6_D6-2.zip) containing  7 .xlsx files containing all the rheological, IR, UV-Vis, DSC, TGA, Tensile testing, Gas Barrier  raw data, 4 .pdf files one describing the experimental methods and materials, a second .pdf file outlining the metadata and information (this document) and two are the material data sheets for SOBACID®911 and PBSA used in the study, and one .zip file containing the SEM images in .TIF and .JPG formats.   <ul> <li>The DSC-data-Packaging-performances-PBSA-LDH_v01_TER_WP6_D6-2.xlsx file contains the data of the heating and cooling steps of the DSC experiments performed on PBSA and PBSA-LDH nanocomposite films.</li> <li>The Gas-Barrier-data-Packaging-performances-PBSA-LDH_v01_TER_WP6_D6-2.xlsx file contains the Oxygen Transmission Rates (OTR) and Water Vapour Transmission Rates (WVTR) of PBSA and PBSA-LDH nanocomposite films.</li> <li>The IR-data-Packaging-performances-PBSA-LDH_v01_TER_WP6_D6-2.xlsx file contains the FT-IR data used to create the IR-spectra of aged and unaged PBSA and PBSA-LDH nanocomposite films.</li> <li>The Rheology-data-Packaging-performances-PBSA-LDH_v01_TER_WP6_D6-2.xlsx file contains the melt rheology data of unaged and aged PBSA and PBSA-LDH nanocomposite films used for Cole-Cole plots and extrapolation of zero shear viscosity.</li> <li>The Tensile-data-Packaging-performances-PBSA-LDH_v01_TER_WP6_D6-2.xlsx file contains the tensile testing data of PBSA and PBSA-LDH nanocomposite films.</li> <li>The TGA-data-Packaging-performances-PBSA-LDH_v01_TER_WP6_D6-2.xlsx file contains the TGA data of PBSA and PBSA-LDH nanocomposite films.</li> <li>The UV-data-Packaging-performances-PBSA-LDH_v01_TER_WP6_D6-2.xlsx file contains the UV-Vis absorption data of aged and unaged PBSA and PBSA-LDH nanocomposite films.</li> <li>The PBSA-Packaging-performances-PBSA-LDH_v01_TER_WP6_D6-2.pdf is the product sheet of PBSA used in this study.</li> <li>The SORBACID-911-Packaging-performances-PBSA-LDH_v01_TER_WP6_D6-2.pdf is the product sheet of SORBACID® 911 used in this study.</li> <li>The SEM-images-Packaging-performances-PBSA-LDH_v01_TER_WP6_D6-2.zip file contains for SEM images (.jpg and .tif) corresponding to neat PBSA film and PBSA-LDH nanocomposite films with 2 wt%, 5 wt% and 8 wt% LDH loadings.</li> <li>The Materials_and_experimental_method-D6-2-Packaging-performances-PBSA-LDH.pdf file details the experimental method and conditions for the data acquisition presented in the Laccase-thermostability-DES_v1.0_TER_WP4_D4-2.xlsx. Guidance is also provided on how to use the data to calculate the laccase activity and thermostability.</li> <li>The Metadata_information-D6-2- Packaging-performances-PBSA-LDH.pdf file includes more detailed metadata information for the datasets represented in here.</li> </ul>

Dataset of the determination of the topographic spatial resolution of a confocal point sensor with a type ASG material measure

These original measurement data relate to the publication: J. Schaude, A. C. Gröschl, T. Hausotte: Effect of a Misidentified Centre of a Type ASG Material Measure on the Determined Topographic Spatial Resolution of an Optical Point Sensor, Metrology 2(1), p. 19-32, 2022, <a href="https://doi.org/10.3390/metrology2010002">https://doi.org/10.3390/metrology2010002</a>. Please refer to this open access publication for a detailed description of the measurement setup and procedure. All data are in ASCII-format. Each file contains four columns, where column one to three are the x, y, and z-coordinates of the positioning system and column four is the signal of the photodetector. Content of the folders 10_Plane: Axial probings on 18 points just outside the grooves. 20_Edges: Lateral probings from each point just outside the grooves in the direction of the roughly determined centre of the material measure. 30_PlaneArea: Repeated axial probing on a plane area near the material measure. 40_RadialMeasurement: Radial measurement of the material measure by lateral (radial) probings conducted on different heights (referring to the distance to the plane fitted to the measuring points of 10_Plane), and radii (referring to the centre of the circle fitted to the edges determined in 20_Edges). Each radial probing has its own data file, with the name of the data file being “radial_probing {radius in m} {height in m} {data and time of probing}.txt”. 50_LineMeasurement: Lateral probings conducted on different heights (referring to the distance to the plane fitted to the measuring points of 10_Plane), different lateral offsets (referring to the centre of the circle fitted to the edges determined in 20_Edges) and on two angles (on the groove (0°) and the adjacent top level (10°)). Please refer to sec. 5.2 of the aforementioned publication for a detailed description. Each lateral probing has its own data file, with the name of the file being “lateral probing {angle in °} {offset in m} {height in m} {data and time of probing}.txt”. Acknowledgement This project 20IND07 TracOptic has received funding from the EMPIR programme co-financed by the Participating States and from the European Union’s Horizon 2020 research and innovation programme. Funder name: European Metrology Programme for Innovation and Research (EMPIR); Funder ID: 10.13039/10001413

Supplementary Material: Climate-sensitive disease outbreaks in the aftermath of extreme climatic events: a scoping review

Supplemental experimental procedures General Information Here we provide the data extraction of the studies retrieved for the scoping review "Climate-sensitive disease outbreaks in the aftermath of extreme climatic events" following PRISMA-ScR guidelines. Data were extracted for the following variables: title, first author, year of publication, country/region studied, extreme climate event, extreme climate event name (tropical cyclones are often named e.g. Typhoon Haiyan), Index used to measure climate anomaly, extreme climate event definition, text description of extreme climate event, disease, outbreak definition, time period of the study, data source, baseline/reference period, study design, statistics, outcome, outcome quantification, outbreak risk, qualitative description of extreme climate event and outbreak risk, time lag.  Outcome was defined as either disease cases or incidence.

Human-robot co-manipulation of soft materials: enable a robot manual guidance using a depth map feedback [Dataset]

Dataset used for the paper submitted to RO-MAN 2022 Human-robot co-manipulation of soft materials: enable a robot manual guidance using a depth map feedback Giorgio Nicola, Enrico Villagrossi, Nicola Pedrocchi

openbsd-3-clauseMar 2022View details →

Topological states in superlattices of HgTe class of materials for engineering three-dimensional flat bands

In search of materials with three-dimensional flat band dispersions, using ab-initio computations we investigate how topological phases evolve as a function of hydrostatic pressure and uniaxial strain in two types of superlattices: HgTe/CdTe and HgTe/HgSe. In short-period HgTe/CdTe superlattices, our analysis unveils the presence of isoenergetic nodal lines, which could host strain-induced three-dimensional flat bands at the Fermi level without requiring doping, when fabricated, for instance, as core-shell nanowires. In contrast, HgTe/HgSe short-period superlattices are found to harbor a rich phase diagram with a plethora of topological phases. Notably, the unstrained superlattice realizes an ideal Weyl semimetal with Weyl points situated at the Fermi level. A small-gap topological insulator with multiple band inversions can be obtained by tuning the volume: under compressive uniaxial strain, the material transitions sequentially into a Dirac semimetal to a nodal-line semimetal, and finally into a topological insulator with a single band inversion. The provided repository contains data to reproduce the figures of the corresponding article.

opencc-by-4.0Dec 2021View details →

Supplementary material for 'In-situ full-field measurements for 3D printed polymers during mode I interface failure'

Additional raw data and correlation analysis output for 'In-situ full- field measurements for 3D printed polymers during mode I interface failure'. We provide the patterned images acquired by the stereo microscopic Correlated Solution system (tiff format) and the VIC3D analysis results (csv format) for one representative specimen with 0°- 0° stacking undergoing mode I interlayer failure.

Surface data for belemnoid cephalic cartilage of the Polzbervg Konservat-Lagerstätte (late Triassic, Lower Austria, Northern Calcareous Alps). Supporting material for Lukeneder & Lukeneder 2022

We provide the 3D surface data set (STL), obtained from Micro-Computertomography (Micro-CT) scans of late Triassic belemnoid cephalic cartilage (= cranial cartilage). Thirteen specimens were scanned at the Core Facility for Micro-Computed Tomography (Vienna Micro-CT Lab), University of Vienna, Austria, using a custom-built VISCOM X8060 NDT (Germany) µ-CT scanner with different scan parameters. The scans deliver a stack of images with isometric voxel sizes. The stacks were combined, which resulted in a 3D volume. The Micro-CT data was collected in February to March 2020, reconstructions were done in spring 2021. The scans were segmented by the use of the software Avizo Amira 2020 (Thermo Fisher Scientific). virtual reconstructions were done in Drishti 2.7. The data was collected in the course of project Polzberg, Polzberg – eine Konservat-Lagerstätte von Weltruf im Herzen Niederösterreichs, financially supported by the Austrian Academy of Scieneces (ÖAW) and the Federal Government of Lower Austria.

Supplemental material: Operative videos on application of microscope-based augmented reality with intraoperative computed tomography-based navigation for resection of skull base meningiomas

Supplemental material Operative videos: Patient number 9: Microsurgical resection of medial sphenoid wing meningioma using microscope-based augmented reality and intraoperative computed tomography-based navigation Pt 28:Microsurgical resection of right clinoidal meningioma via fronto-temporal craniotomy with microscope-based augmented reality Pt 31:Microsurgical resection of recurrent sphenoid wing meningioma using microscope-based augmented reality with intraoperative computed tomography Pt 36: Microsurgical resection of giant olfactory meningioma via bifrontal approach with use of augmented reality and intraoperative CT-based navigation

opencc-by-4.0Dec 2021View details →

Contact tracing solutions for COVID-19: applications, data privacy and security :: Suplementary Material

Supplementary Material for the paper "Contact tracing solutions for COVID-19: applications, data privacy and security"

Fig. 4 in The Viability of Haemonchus Contortus (Nematoda, Strongylida) and Strongyloides Papillosus (Nematoda, Rhabditida) Larvae Exposed to Various Flavourings and Source Materials Used in Food Production

Fig. 4. The effect of alcohol flavourings and their compounds on the viability of larvae of nematodes of Ruminantia: а — β-Ionone, b — Citronellol, с — Acetoin; for explanations see fig. 1.

Fig. 2 in The Viability of Haemonchus Contortus (Nematoda, Strongylida) and Strongyloides Papillosus (Nematoda, Rhabditida) Larvae Exposed to Various Flavourings and Source Materials Used in Food Production

Fig. 2. The effect of acetate flavourings upon the viability of larvae of nematodes of Ruminantia: а — Ethyl acetate, b — Benzyl acetate; for explanations see fig. 1.

Fig. 3 in The Viability of Haemonchus Contortus (Nematoda, Strongylida) and Strongyloides Papillosus (Nematoda, Rhabditida) Larvae Exposed to Various Flavourings and Source Materials Used in Food Production

Fig. 3. The effect of alcohol flavourings and their compounds on the viability of larvae of nematodes of Ruminantia: а — α-Terpineol, b — Benzyl alcohol, с — Citral, d — L-Linalool; for explanations see fig. 1.

Fig. 1 in The Viability of Haemonchus Contortus (Nematoda, Strongylida) and Strongyloides Papillosus (Nematoda, Rhabditida) Larvae Exposed to Various Flavourings and Source Materials Used in Food Production

Fig. 1. The effect of aldehyde flavourings on the viability of larvae of nematodes of Ruminantia: а — p-Anisaldehyde; b — Benzaldehyde; с — γ-Undecalactone; d — Cinnamaldehyde; the ordinate axis indicates the percentage of living nematode larvae in 24-hour experiment; the abscissa axis indicates the concentration of the active substance (%); (К) control, where the concentration of the active substance is 0 %; (L3) infective larvae of S. papillosusor H. contortus; (L1, L2) non-infective larvae of S. papillosus; small square in the centre corresponds to the median, lower and upper edge of the large rectangle corresponds to first and third quartiles, respectively, the vertical segments, directed upward and downward from the rectangles, correspond to minimum and maximum values (n = 8).

Fig. 5 in The Viability of Haemonchus Contortus (Nematoda, Strongylida) and Strongyloides Papillosus (Nematoda, Rhabditida) Larvae Exposed to Various Flavourings and Source Materials Used in Food Production

Fig. 5. The effect of D-limonene on the viability of larvae of nematodes of Ruminantia: for explanations see fig. 1.