TY - CONF A1 - de Oliveira Guilherme Buzanich, Ana A1 - Michalchuk, Adam A1 - Cakir, Cafer Tufan A1 - Haider, M. B. A1 - Yusenko, Kirill A1 - Radtke, Martin A1 - Reinholz, U. A1 - Emmerling, Franziska T1 - Time resolved in situ monitoring of mechanochemical transformations by X-ray spectroscopy (XAS) N2 - Mechanochemical reactions promise a new direction for environmentally benign preparation of materials, and has been dubbed by IUPAC as one of the 10 chemical innovations that will change our world. Despite this significant promise, very little is known about the mechanisms that drive mechanochemical transformations, posing significant barriers to realizing their full potential. To this end, there is growing need to follow mechanochemical reactions in situ and in real time. We here describe advances in the development and application of XAS methods to monitor material synthesis in real time under mechanochemical conditions. We demonstrate the generality of our approaches by describing mechanochemical syntheses of materials by both vibratory ball milling and by Resonant Acoustic Mixing (RAM), where a time resolution of 1 second is for a whole XAS spectrum was achieved. Moreover, we describe how spectroscopic methods can be coupled to diffraction-based approaches, thereby providing new dimensions in understanding mechanochemical synthesis. T2 - AfLS3 CY - Online meeting DA - 14.11.2021 KW - Dipsersive XAS KW - Mechanochemistry KW - Time-resolved KW - In situ PY - 2021 AN - OPUS4-56256 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - de Oliveira Guilherme Buzanich, Ana A1 - Michalchuk, Adam A1 - Cakir, Cafer Tufan A1 - Yusenko, Kirill A1 - Radtke, Martin A1 - Reinholz, U. A1 - Emmerling, Franziska T1 - Time resolved in situ monitoring of mechanochemical transformations by X-ray spectroscopy (XAS) N2 - Mechanochemical reactions promise a new direction for environmentally benign preparation of materials, and has been dubbed by IUPAC as one of the 10 chemical innovations that will change our world. Despite this significant promise, very little is known about the mechanisms that drive mechanochemical transformations, posing significant barriers to realizing their full potential. To this end, there is growing need to follow mechanochemical reactions in situ and in real time. We here describe advances in the development and application of XAS methods to monitor material synthesis in real time under mechanochemical conditions. We demonstrate the generality of our approaches by describing mechanochemical syntheses of materials by both vibratory ball milling and by Resonant Acoustic Mixing (RAM), where a time resolution of 1 second is for a whole XAS spectrum was achieved. Moreover, we describe how spectroscopic methods can be coupled to diffraction-based approaches, thereby providing new dimensions in understanding mechanochemical synthesis. T2 - Denver X-ray Conference: DXC 2021 CY - Online meeting DA - 02.08.2021 KW - Dispersive XAS KW - Mechanochemistry KW - Time resolved KW - In situ PY - 2021 AN - OPUS4-56257 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Beck, Uwe A1 - Griepentrog, Michael A1 - Hertwig, Andreas A1 - Hielscher-Hofinger, Stefan A1 - Lange, Thorid A1 - Weise, Matthias T1 - Uncertainty budgets in surface technology: stepheigt, layerthickness, indentation hardness, adehesive strength N2 - The object (sample) and the measurement/testing procedure may always have unknown degrees of freedom, i.e. instead of 𝐯 ≥ n – 1 in many cases 𝐯 ≫ n - 1 may apply, in particular in the micro- and nano-world! T2 - 10. VDI-Fachtagung, Messunsicherheit und Prüfprozesse CY - Erfurt, Germany DA - 10.11.2021 KW - Methodology in metrology KW - Methodology in testing KW - Spectroscopic Ellipsometry KW - Instrumented Indentation Testing (IIT) KW - Centrifugal Adhesion Testing (CAT) PY - 2021 AN - OPUS4-53986 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Beck, Uwe A1 - Griepentrog, Michael A1 - Hertwig, Andreas A1 - Hielscher-Hofinger, Stefan A1 - Weise, Matthias T1 - Functional coatings for mechanical applications: characterization and standardization N2 - The paper addresses the “Functional coatings for mechanical applications: characterization and standardization” and the following points are discussed in more detail: 1. Mechanic alapplications (coatings for tools and components, system features vs. material parameters) 2. Mechanical characterization (instrumented indentation testing (IIT), centrifugal adhesion testing (CAT), state of standardization) 3. Topometric characterization (white light interference microscopy (WLIM, 3D), mechanical stylus (MS, 2D), state of standardization) 4. Optical characterization (spectroscopic ellipsometry (SE), inter-laboratory comparison, state of standardization) T2 - IC-CMTP6 CY - Miskolc, Hungary DA - 04.10.2021 KW - Spectroscopic Ellipsometry KW - White Light Interference Microscopy KW - Instrumented Indentation Testing KW - Functional coatings KW - Mechanical characterization KW - Optical characterization KW - Topometric characterization KW - Standardization PY - 2021 AN - OPUS4-53987 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Reetz, U. A1 - Lerche, D. A1 - Hielscher-Hofinger, Stefan A1 - Kubitzki, Jan A1 - Beck, Uwe T1 - Load- and path-controlled determination of bonding strength of butt joints - Comparison between tensile testing machine and centrifuge technology N2 - The round robin test proves that the CAT-Technology provides statistically indistinguishable test results compared to TTM. A supplement to DIN EN 15870 taking into account CAT-Technology (with reference to equivalent increases of load and displacement) as second normative test method appears to make sense. A presentation of a revision proposal at CEN TC 193 has been introduced with the decision to conduct a survey using the unchanged German revision proposal. T2 - EURADH 2021 - 13 th European Adhesion Conference CY - Online meeting DA - 11.10.2021 KW - CAT – Technology KW - Tensile testing machine (TTM) KW - Round robin test KW - Validation PY - 2021 AN - OPUS4-53948 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Pauw, Brian Richard A1 - Smales, Glen Jacob T1 - What is in X-ray scattering Data? An overview of features. N2 - During the Better with Scattering 2021 workshop, we discuss what information can be obtained from an X-ray scattering pattern. Examples of structural features and their physical expression in scattering patterns are demonstrated. T2 - Better with Scattering workshop 2021 CY - Online meeting DA - 29.11.2021 KW - Scattering KW - SAXS KW - X-ray scattering KW - Data analysis KW - Data interpretation KW - Fourier transforms PY - 2021 AN - OPUS4-54011 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - George, Janine T1 - New chemical understanding with the help of automation and highthroughput computations N2 - High-throughput computations are nowadays an established way to suggest new candidate materials for applications to experimentalists. Due to new packages for automation and access to databases of computed materials properties, these studies became more and more complex over the last years. Besides suggesting new candidate materials for applications, they also offer a way to understanding the materials properties based on chemical bonds. For example, we have recently used orbital-based bonding analysis to understand the results of high-throughput studies for spintronic materials, ferroelectric materials and photovoltaic materials in detail. To do so, we have developed Python tools for high-throughput bonding analysis with the programs VASP and Lobster (see www.cohp.de). They are based on the Python packages pymatgen, atomate, and custodian. This implementation will be discussed within the talk. We also expect that these tools offer possibilities to arrive at new descriptors based on chemical bonds for materials properties. T2 - High-throughput workflows for materials science with the Atomic Simulation Environment (ASE) and Fireworks CY - Lyngby, Denmark DA - 15. November 2021 KW - Automation KW - High-throughput computations KW - DFT PY - 2021 AN - OPUS4-53840 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Yusenko, Kirill A1 - Emmerling, Franziska A1 - de Oliveira Guilherme Buzanich, Ana T1 - X-Ray absorption spectroscopy to study multicomponent materials N2 - Detailed study of multicomponent systems in solid-state as well as in solution using X-ray diffraction and X-ray spectroscopy is one of the most common topics in modern materials chemistry. 5-6 component high-entropy alloys such as fcc- and bcc-structured AlxCoCrFeNi and fluorescent nanoparticles based on fluorite-structured SrF2 doped by rare-earth metals in organic solutions have high complexity and their local structure cannot be resolved using only diffraction. X-ray absorption spectroscopy should be applied to understand peculiarities in their local structure and make a link between structure on short and long ranges and their macroscopic properties. Here, based on two representativee examples, we discuss how a combination of several X-ray absorption edges might give new insights into complex materials. T2 - Virtual meeting of the African Light Source CY - Online meeting DA - 15.11.2021 KW - EXAFS KW - Synchrotron studies PY - 2021 AN - OPUS4-54014 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Yusenko, Kirill A1 - Smekhova, A. A1 - Kuzmin, A. T1 - Extended X-Ray absorption fine structure (exafs) to study local constitution of high-entropy alloys N2 - Modern design of superior multi-functional alloys composed of several principal components requires in-depth studies of their local structure for developing desired macroscopic properties. Herein, peculiarities of atomic arrangements on the local scale and electronic states of constituent elements in the single-phase face-centered cubic (fcc)- and body-centered cubic (bcc)-structured high-entropy Alx-CrFeCoNi alloys (x = 0.3 and 3, respectively) are explored by element-specific X-ray absorption spectroscopy in hard and soft X-ray energy ranges. Simulations based on the reverse Monte Carlo approach allow to perform a simultaneous fit of extended X-ray absorption fine structure spectra recorded at K absorption edges of each 3d constituent and to reconstruct the local environment within the first coordination shells of absorbers with high precision. T2 - SPP2006: ordering in high-entropy alloys CY - Online meeting DA - 05.10.2021 KW - EXAFS KW - High-entropy alloys PY - 2021 AN - OPUS4-54015 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Yusenko, Kirill A1 - de Oliveira Guilherme Buzanich, Ana A1 - Radtke, Martin T1 - Studies of high-entropy alloys using x-ray absorption fine structure at the bamline N2 - BAM line is multipurpose high-energy beamline. To extend studies of multicomponent alloys using EXAFS we perform own research and user experiments requiring multiedge spectroscopy, high-temperature and chemically aggressive sample environments. Our study of multicomponent alloys and high-entropy alloys open new perspectives in understanding their reactivity, corrosion, phase transformations and local ordering. T2 - SPP2006: large scale facilities CY - Online meeting DA - 02.11.2021 KW - Synchrotron studies KW - High-entropy alloys KW - EXAFS PY - 2021 AN - OPUS4-54016 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -