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This record provides the source code for building the paper that introduces the method of "Elemental FEMU-F"; an identification method for constitutive parameters using full-field displacements. The implementation is based on Legacy FEniCS. The provided code is able to automatically reproduce the simulation results and the paper as a final PDF file. Refer to README.md file for further details
High-and medium entropy alloys have been investigated for more than two decades and their potential keeps being evaluated. Their “baseless” character distinguishes them from classic alloys that are characterized by one main element, such as steel – Fe based. The question has arisen whether our analysis methods are suited for alloys without a base element and is has been found that they are within the limitations of the methods. This dataset shows the compatibility between inductively coupled plasma optical emission spectrometry, combustion analysis, x-ray fluorescence analysis and energy dispersive x-ray spectroscope, measured in the scanning electron microscope. Four alloys from the well-studied Co-Cr-Fe-Ni medium entropy family have been used as testing materials.
Tensile Test Ontology (TTO)
(2026)
This is the tensile test ontology (TTO) in version 3.0.0 as developed on the basis of the tensile test standard ISO 6892-1:2019-11: Metallic materials - Tensile Testing - Part 1: Method of test at room temperature.
The TTO was developed in the frame of the project Plattform MaterialDigital (PMD). The TTO provides conceptualizations valid for the description of tensile tests and corresponding data in accordance with the respective test standard. By using TTO for storing tensile test data, all data will be well structured and based on a common vocabulary agreed upon by an expert group (generation of FAIR data) which will lead to enhanced data interoperability. Due to the import of the PMD core ontology (PMDco), here in version 3.0.0, the interoperability of tensile test data is enhanced and querying in combination with other aspects and data within the broad field of material science and engineering (MSE) is facilitated.
Controlling trace humidity is vital for both the fabrication and long-term stability of metal halide perovskite (MHP) solar cells. Relevant humidity levels are typically below 10 ppmV, especially in glovebox-based processing and in well-encapsulated devices. Even minute amounts during fabrication can influence crystallization, introducing defects and lowering efficiency. Over time, humidity accelerates degradation of the perovskite layer and internal interfaces, ultimately reducing operational lifetime. Probing these effects at low concentrations under operando conditions is therefore essential for advancing device performance and durability. In this work, we employed a high-precision transfer standard dew point hygrometer to investigate humidity levels between 5 and 35 ppmV in non-encapsulated MHP solar cells. To permit unobstructed water migration during operation, we fabricated interdigital back contact devices. Operando measurements revealed water transport through the perovskite layer and enabled quantification of outgassing. Under trace-humidified conditions, devices exhibited initial charge-carrier quenching, followed by gradual recovery. Notably, the photocurrent response to humidified nitrogen demonstrated that the MHP layer behaves fully reversibly within the explored timescale and across the investigated humidity levels and conditions. These findings establish a systematic operando framework for examining extrinsic stressors in perovskites and highlight opportunities for assessing passivation strategies.
We introduce a thermographic dataset for subsurface defect detection in radioactive waste storage drums, comprising thermal sequences from 7 barrel specimens with artificially manufactured internal defects. The dataset was acquired using cost-effective halogen-lamp excitation (2kW per lamp) as an alternative to laser-based systems, with dual-camera thermal imaging (CMOS and bolometric) to enable performance comparison across imaging modalities. The specimens include both new and aged barrel types with controlled defects — FBHs, lines, crosses, triangles, and rectangles — simulating internal corrosion at varying scales (4mm to 60mm). Three heating regimes (both lamps, left only, right only) were systematically applied across multiple measurement regions per sample, yielding normalized thermal sequences. To lower the barrier for machine learning practitioners without thermography expertise, the dataset provides pre-computed features derived from principal component analysis, pulse phase thermography, and independent component analysis extracted using experimentally optimized time windows. Ground-truth binary masks mapping defect locations are included to enable supervised learning. This resource is designed to support the development and benchmarking of automated defect detection algorithms for non-destructive testing of curved, thin-walled metallic structures under realistic surface conditions (paint inhomogeneity, dirt, geometric artifacts), while validating low-cost thermographic inspection alternatives for industrial deployment.
This dataset accompanies the study on sequential learning–based optimisation of bio-ash–cement binder formulations under seasonally varying material availability. It provides a fully synthetic but chemically inspired benchmark design space for evaluating data-driven optimisation strategies in cementitious materials research.
The dataset comprises 5,006 unique binder formulations, each defined by the mass fractions of cement and five bio-based ash components (A1–A5). Ash components represent generic bio-ash types derived from agricultural residues (e.g. rice husk ash, cassava peel ash), and their internal proportions are systematically varied under mass-balance constraints. Cement content ranges from 0 to 100 wt% in discrete steps.
To reflect dynamic supply conditions, the dataset includes season-specific ash usage metrics for four seasons (S1–S4), expressing the fraction of available ash resources consumed by each formulation. A synthetic compressive strength value is assigned to every formulation using a nonlinear scoring function based on chemically inspired descriptors, with added noise to generate a structured yet non-trivial optimisation landscape. These strength values do not represent calibrated physical predictions and are intended solely as a hidden objective function for benchmarking sequential learning algorithms.
The dataset is designed for in silico benchmarking, reproducibility studies, and methodological comparisons of optimisation and active learning strategies. It enables systematic evaluation of algorithmic performance without the need for physical experiments.
Atomically dispersed Fe in N-doped carbon (Fe-N-C) catalysts are leading platinum-group-metal-free candidates for the O2 reduction reaction in proton exchange membrane fuel cells (PEMFCs). Zeolitic imidazolate framework (ZIF-8) derived Fe-N-C present the most promising performance; however, they possess a narrow distribution of small micropores, which limits active site accessibility. Here, to induce hierarchical porosity in Fe-N-C, we report a systematic study on MgCl₂·6H₂O-templated ZIF-8-derived Fe-N-C catalysts for the O2 reduction reaction. MgCl₂·6H₂O addition induced complete Zn removal, collapse of the ZIF-8 framework, and formation of large micro- and mesopores, with graphene-like structures. N content was markedly reduced, with conversion from pyridinic to pyrrolic N species. Rotating disc electrode tests showed a progressive increase in O2 reduction activity with MgCl₂·6H₂O, which is strongly correlated (R2 = 0.98) to the formation of large micropores and small mesopores (1-4 nm). This introduces a clear structure-activity design principle for Fe-N-Cs. The enhanced Fe-N-C porosity also leads to increased degradation rates under accelerated stress test conditions, which we attributed to the oxidation of disordered carbon domains and active Fe loss. This study highlights a key trade-off between porosity-driven O2 reduction activity and durability in Fe-N-C catalysts.
BAM Reference Data: High Temperature Tensile Data of Single-Crystal Ni-Based Superalloy CMSX-6
(2025)
This publication provides comprehensive metadata and test results of tensile tests at elevated temperature according to DIN EN ISO 6892-2:2018-09 on the single crystal Ni-based superalloy CMSX-6 at T = 980 °C. The tests were performed in an ISO 17025-accredited test laboratory. The calibrations of measuring equipment are documented, meet the requirements of the measurement standard, and are metrologically traceable. The provided data were audited and are BAM reference data.
This is a python library for finite element (FE) modelling of static/quasi-static structural mechanics problems with legacy FEniCS, which contains the following main modules. Module structure: for defining a structural mechanics experiment, including geometry, mesh, boundary conditions (BCs), and time-varying loadings. The time is quasi-static, i.e. no dynamic (inertia) effects will be accounted for in the problem module as follows. Module material: for handling constitutive laws such as elasticity, gradient damage, plasticity, etc. Module problem: for establishing structural mechanics problems for desired structures and material laws coming from the two above modules, and solving the problems built up. These can be performed for two main cases: static (no time-evolution) that also includes homogenization, and quasi-static (QS).
A python implementation of an analytical variational Bayes algorithm of "Variational Bayesian inference for a nonlinear forward model", Chappell, Michael A., Adrian R. Groves, Brandon Whitcher, and Mark W. Woolrich, IEEE Transactions on Signal Processing 57, no. 1 (2008): 223-236, with an updated free energy equation to correctly capture the log evidence. The algorithm requires a user-defined model error allowing an arbitrary combination of custom forward models and measured data.