TY - JOUR
A1 - Ahmed, A. A. A.
A1 - Alegret, N.
A1 - Almeida, B.
A1 - Alvarez-Puebla, R.
A1 - Andrews, A. M.
A1 - Ballerini, L.
A1 - Barrios-Capuchino, J. J.
A1 - Becker, C.
A1 - Blick, R. H.
A1 - Bonakdar, S.
A1 - Chakraborty, I.
A1 - Chen, X.
A1 - Cheon, J.
A1 - Chilla, G.
A1 - Conceicao, A. L. C.
A1 - Delehanty, J.
A1 - Dulle, M.
A1 - Efros, A. L.
A1 - Epple, M.
A1 - Fedyk, M.
A1 - Feliu, N.
A1 - Feng, M.
A1 - Fernandez-Chacon, R.
A1 - Fernandez-Cuesta, I.
A1 - Fertig, N.
A1 - Förster, S.
A1 - Garrido, J. A.
A1 - George, M.
A1 - Guse, A. H.
A1 - Hampp, N.
A1 - Harberts, J.
A1 - Han, J.
A1 - Heekeren, H. R.
A1 - Hofmann, U. G.
A1 - Holzapfel, M.
A1 - Hosseinkazemi, H.
A1 - Huang, Y.
A1 - Huber, P.
A1 - Hyeon, T.
A1 - Ingebrandt, S.
A1 - Ienca, M.
A1 - Iske, A.
A1 - Kang, Y.
A1 - Kasieczka, G.
A1 - Kim, D.-H.
A1 - Kostarelos, K.
A1 - Lee, J.-H.
A1 - Lin, K.-W.
A1 - Liu, S.
A1 - Liu, X.
A1 - Liu, Y.
A1 - Lohr, C.
A1 - Mailänder, V.
A1 - Maffongelli, L.
A1 - Megahed, S.
A1 - Mews, A.
A1 - Mutas, M.
A1 - Nack, L.
A1 - Nakatsuka, N.
A1 - Oertner, T. G.
A1 - Offenhäusser, A.
A1 - Oheim, M.
A1 - Otange, B.
A1 - Otto, F.
A1 - Patrono, E.
A1 - Peng, B.
A1 - Picchiotti, A.
A1 - Pierini, F.
A1 - Pötter-Nerger, M.
A1 - Pozzi, M.
A1 - Pralle, A.
A1 - Prato, M.
A1 - Qi, B.
A1 - Ramos-Cabrer, P.
A1 - Resch-Genger, Ute
A1 - Ritter, N.
A1 - Rittner, M.
A1 - Roy, S.
A1 - Santoro, F.
A1 - Schuck, N. W.
A1 - Schulz, F.
A1 - Seker, E.
A1 - Skiba, M.
A1 - Sosniok, M.
A1 - Stephan, H.
A1 - Wang, R.
A1 - Wang, T.
A1 - Wegner, Karl David
A1 - Weiss, P. S.
A1 - Xu, M.
A1 - Yang, C.
A1 - Zargarin, S. S.
A1 - Zeng, Y.
A1 - Zhou, Y.
A1 - Zhu, D.
A1 - Zierold, R.
A1 - Parak, W. J.
T1 - Interfacing with the Brain: How Nanotechnology Can Contribute
N2 - Interfacing artificial devices with the human brain is the central goal of neurotechnology. Yet, our imaginations are often limited by currently available paradigms and technologies. Suggestions for brain−machine interfaces have changed over time, along with the available technology.
Mechanical levers and cable winches were used to move parts of the brain during the mechanical age. Sophisticated electronic wiring and remote control have arisen during the electronic age, ultimately leading to plug-and-play computer interfaces. Nonetheless, our brains are so complex that these visions, until recently, largely remained unreachable dreams. The general problem, thus far, is that most of our technology is mechanically and/or electrically engineered, whereas the brain is a living, dynamic entity. As a result, these worlds are difficult to interface with one another. Nanotechnology, which encompasses engineered solid-state objects and integrated circuits, excels at small length scales of single to a few hundred nanometers and, thus, matches the sizes of biomolecules, biomolecular assemblies, and parts of cells. Consequently, we envision nanomaterials and nanotools as opportunities to interface with the brain in alternative ways. Here, we review the existing literature on the use of nanotechnology in brain−machine interfaces and look forward in discussing perspectives and limitations based on the authors’ expertise across a range of complementary disciplines from neuroscience, engineering, physics, and chemistry to biology and medicine, computer science and mathematics, and social science and jurisprudence. We focus on nanotechnology but also include information from related fields when useful and complementary.
KW - Nanoneuro interface
KW - Brain-on-a-chip
KW - Nanostructured interface
KW - Electrode arrays
KW - Neuro-implants
KW - Advanced nanomaterials
KW - Quality assurance
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-634893
DO - https://doi.org/10.1021/acsnano.4c10525
SN - 1936-086X
VL - 19
IS - 11
SP - 10630
EP - 10717
PB - ACS Publications
AN - OPUS4-63489
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Bruna, F. G.
A1 - Prokop, M.
A1 - Bystron, T.
A1 - Loukrakpam, R.
A1 - Melke, J.
A1 - Lobo, C. M. S.
A1 - Fink, M.
A1 - Zhu, M.
A1 - Voloshina, E.
A1 - Kutter, M.
A1 - Hoffmann, H.
A1 - Yusenko, Kirill
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Röder, B.
A1 - Bouzek, K.
A1 - Paulus, B.
A1 - Roth, C.
T1 - Following adsorbed intermediates on a platinum gas diffusion electrode in H3PO3‑containing electrolytes using in situ X‑ray absorption spectroscopy
N2 - One of the challenges of high-temperature polymer electrolyte membrane fuel cells is the poisoning of the Pt catalyst with H3PO4. H3PO4 is imbibed into the routinely used polybenzimidazole-based membranes, which facilitate proton conductivity in the temperature range of 120−200 °C. However, when leached out of the membrane by water produced during operation, H3PO4 adsorbs on the Pt catalyst surface, blocking the active sites and hindering the oxygen reduction reaction (ORR).
The reduction of H3PO4 to H3PO3, which occurs at the anode due to a combination of a low potential and the presence of gaseous H2, has been investigated as an additional important contributing factor to the observed poisoning effect. H3PO3 has an affinity toward adsorption on Pt surfaces even greater than that of H2PO4 −. In this work, we investigated the poisoning effect of both H3PO3 and H3PO4 using a half-cell setup with a gas diffusion electrode under ambient conditions. By means of in situ X-ray absorption spectroscopy, it was possible to follow the signature of different species adsorbed on the Pt nanoparticle catalyst (H, O, H2PO4 −, and H3PO3) at different potentials under ORR conditions in various electrolytes (HClO4, H3PO4, and H3PO3). It was found that H3PO3 adsorbs in a pyramidal configuration P(OH)3 through a Pt−P bond. The competition between H3PO4 and H3PO3 adsorption was studied, which should allow for a better understanding of the catalyst poisoning mechanism and thus assist in the development of strategies to mitigate this phenomenon in the future by minimizing H3PO3 generation by, for example, improved catalyst design or adapted operation conditions or changes in the electrolyte composition.
KW - H3PO4 life cycle
KW - XAS
KW - In situ coupling
KW - High-temperature fuel cells
KW - Δμ XANES
KW - H3PO3
PY - 2022
DO - https://doi.org/10.1021/acscatal.2c02630
SN - 2155-5435
VL - 12
IS - 18
SP - 11472
EP - 11484
PB - ACS
CY - Washington, DC
AN - OPUS4-55815
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Kuroiwa, T.
A1 - Zhu, Y.
A1 - Inagaki, K.
A1 - Long, S.
A1 - Christopher, S.
A1 - Puelles, M.
A1 - Porinsky, M.
A1 - Hatamleh, N.
A1 - Murby, J.
A1 - Merrick, J.
A1 - White, I.
A1 - Saxby, D.
A1 - Caciano de Sena, R.
A1 - Dominguez de Almeida, M.
A1 - Vogl, Jochen
A1 - Phukphatthanachai, Pranee
A1 - Fung, W.-H.
A1 - Yau, H.-P.
A1 - Okumu, T. O.
A1 - Kang'iri, J. N.
A1 - Tellez, J. A. S.
A1 - Campos, E. Z.
A1 - Galvan, E. C.
A1 - Kaewkhomdee, N.
A1 - Taebunpakul, S.
A1 - Thiengmanee, U.
A1 - Yafa, C.
A1 - Tokman, N.
A1 - Tunc, M.
A1 - Can, S. Z.
T1 - Report of the CCQM-K123: trace elements in biodiesel fuel
N2 - The CCQM-K123 key comparison was organized by the Inorganic Analysis Working Group (IAWG) of CCQM to assess and document the capabilities of the national metrology institutes (NMIs) or the designated institutes (DIs) to measure the mass fractions of sodium, calcium, potassium, magnesium phosphorous and sulfur in biodiesel fuel (BDF). The National Metrology Institute of Japan (NMIJ) and National Institute of Standards and Technology (NIST) acted as the coordinating laboratories.
Results were submitted by 11 NMIs and DIs. The participants used different measurement methods, though most of them used inductively coupled plasma-mass spectrometry (ICP-MS), isotope dilution technique with ICP-MS and inductively coupled plasma-optical emission spectrometry (ICP-OES) with microwave acid digestion.
The material was quite challenging and a number of questions were raised at the IAWG meeting. Concerning S, the variation in S results between participants, particularly those using IDMS methods was discussed at the IAWG meeting. BAM, NIST and NMIJ reviewed their experimental conditions, results and/or uncertainty calculations for IDMS. According to the additional evaluation and investigation, the variances between the revised results became smaller than the original one, the revised results were overlapping between IDMS measurements of S content at the k=2 level. It is not possible to calculate a KCRV with values being modified after submission. It was concluded that this KC does not support S measurements.
Accounting for relative expanded uncertainty, comparability of measurement results for each of Na, Ca, K, Mg and P was successfully demonstrated by the participating NMIs or DIs. It is expected that sodium, calcium, potassium, magnesium and phosphorus at mass fractions greater than approximately 0.1 mg/kg, 0.1 mg/kg, 0.05 mg/kg, 0.05 mg/kg and 0.1 mg/kg respectively in biodiesel fuel and similar matrices (fuels and oils etc.) can be determined by each participant using the same technique(s) employed for this key comparison to achieve similar uncertainties mentioned in the present report. Furthermore, the results of this key comparison can be utilized along with the IAWG core capability approach.
KW - Biodiesel
KW - Fuel
KW - Sulphur
KW - Reference measurement
PY - 2017
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-393941
UR - http://iopscience.iop.org/article/10.1088/0026-1394/54/1A/08008/meta
DO - https://doi.org/10.1088/0026-1394/54/1A/08008
SN - 0026-1394
SN - 1681-7575
VL - 54
SP - Tech. Suppl. 2017, 08008, 1
EP - 47
PB - IOP Publishing
CY - Bristol, UK
AN - OPUS4-39394
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Zaiser, E.
A1 - Fantin, Andrea
A1 - Manzoni, Anna Maria
A1 - Hesse, René
A1 - Többens, D. M.
A1 - Hsu, W.-C.
A1 - Murakami, H.
A1 - Yeh, A.-C.
A1 - Pavel, M. J.
A1 - Weaver, M. L.
A1 - Zhu, H.
A1 - Wu, Y.
A1 - Vogel, F.
T1 - Elucidating hierarchical microstructures in high entropy superalloys: An integrated multiscale study
N2 - In this study, we examine a high entropy superalloy (HESA-Y1: Ni49.37Co20Cr7Fe4Al11.6Ti6Re1Mo0.5W0.5Hf0.03 at%), focusing on hierarchical microstructure formation and its effects on mechanical properties. Thermodynamic modeling using Thermo-Calc predicts equilibrium phase fractions, compositions, and transition temperatures,which are validated by experimental data from differential scanning calorimetry (DSC). Transmission electronmicroscopy (TEM) reveals that secondary aging induces nanometer-sized γ particles within γ’ precipitates, forming a hierarchical γ/γ’ microstructure. Atom probe tomography (APT) confirms supersaturation of γ’ precipitates with γ-forming elements (Co, Cr, Fe), driving γ particle formation, and measures interfacial widths between γ’ and γ phases. Partitioning coefficients derived from APT align with Thermo-Calc predictions for most elements. Vickers microhardness testing shows an increase of about 50 HV in the hierarchical microstructure compared to the conventional one. In situ synchrotron X-ray diffraction (XRD) from 25 to 750 ◦C determines a small, negative lattice misfit δ between γ and γ’ phases, suggesting enhanced microstructural stability, consistent with Thermo-Calc calculations. Our methodological approach enables measurement of the unconstrained lattice parameter of phase-extracted γ’ in a single-crystal XRD setup. Due to their small size and low volume fraction, γ particles do not produce distinct reflections in the X-ray diffractogram. Elucidating hierarchical microstructures across multiple scales, we establish that the presence of Re and Hf and controlled aging processes lead to enhanced mechanical properties, offering valuable insights for the design of advanced high entropy superalloys.
KW - High entropy alloys
KW - Transmission electron microscopy
KW - X-ray diffraction
KW - Superalloy
PY - 2025
DO - https://doi.org/10.1016/j.matchar.2024.114642
VL - 220
SP - 1
EP - 13
PB - Elsevier Inc.
AN - OPUS4-62348
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Prohaska, T.
A1 - Irrgeher, J.
A1 - Benefield, J.
A1 - Böhlke, J. K.
A1 - Chesson, L. A.
A1 - Coplen, T. B.
A1 - Ding, T.
A1 - Dunn, P. J. H.
A1 - Gröning, M.
A1 - Holden, N. E.
A1 - Meijer, H. A. J.
A1 - Moossen, H.
A1 - Possolo, A.
A1 - Takahashi, Y.
A1 - Vogl, Jochen
A1 - Walczyk, T.
A1 - Wang, J.
A1 - Wieser, M. E.
A1 - Yoneda, S.
A1 - Zhu, X.-K.
A1 - Meija, J.
T1 - Standard atomic weights of the elements 2021 (IUPAC Technical Report)
N2 - Following the reviews of atomic-weight determinations and other cognate data in 2015, 2017, 2019 and 2021, the IUPAC (International Union of Pure and Applied Chemistry) Commission on Isotopic Abundances and Atomic Weights (CIAAW) reports changes of standard atomic weights. The symbol Ar(E) was selected for standard atomic weight of an element to distinguish it from the atomic weight of an element E in a specific substance P, designated Ar(E, P). The CIAAW has changed the values of the standard atomic weights of five elements based on recent determinations of terrestrial isotopic abundances:
Ar (argon): from 39.948 ± 0.001 to [39.792, 39.963]
Hf (hafnium): from 178.49 ± 0.02 to 178.486 ± 0.006
Ir (iridium): from 192.217 ± 0.003 to 192.217 ± 0.002
Pb (lead): from 207.2 ± 0.1 to [206.14, 207.94]
Yb (ytterbium): from 173.054 ± 0.005 to 173.045 ± 0.010
The standard atomic weight of argon and lead have changed to an interval to reflect that the natural variation in isotopic composition exceeds the measurement uncertainty of Ar(Ar) and Ar(Pb) in a specific substance. The standard atomic weights and/or the uncertainties of fourteen elements have been changed based on the Atomic Mass Evaluations 2016 and 2020 accomplished under the auspices of the International Union of Pure and Applied Physics (IUPAP). Ar of Ho, Tb, Tm and Y were changed in 2017 and again updated in 2021:
Al (aluminium), 2017: from 26.981 5385 ± 0.000 0007 to 26.981 5384 ± 0.000 0003
Au (gold), 2017: from 196.966 569 ± 0.000 005 to 196.966 570 ± 0.000 004
Co (cobalt), 2017: from 58.933 194 ± 0.000 004 to 58.933 194 ± 0.000 003
F (fluorine), 2021: from 18.998 403 163 ± 0.000 000 006 to 18.998 403 162 ± 0.000 000 005
(Ho (holmium), 2017: from 164.930 33 ± 0.000 02 to 164.930 328 ± 0.000 007)
Ho (holmium), 2021: from 164.930 328 ± 0.000 007 to 164.930 329 ± 0.000 005
Mn (manganese), 2017: from 54.938 044 ± 0.000 003 to 54.938 043 ± 0.000 002
Nb (niobium), 2017: from 92.906 37 ± 0.000 02 to 92.906 37 ± 0.000 01
Pa (protactinium), 2017: from 231.035 88 ± 0.000 02 to 231.035 88 ± 0.000 01
Pr (praseodymium), 2017: from 140.907 66 ± 0.000 02 to 140.907 66 ± 0.000 01
Rh (rhodium), 2017: from 102.905 50 ± 0.000 02 to 102.905 49 ± 0.000 02
Sc (scandium), 2021: from 44.955 908 ± 0.000 005 to 44.955 907 ± 0.000 004
(Tb (terbium), 2017: from 158.925 35 ± 0.000 02 to 158.925 354 ± 0.000 008)
Tb (terbium), 2021: from 158.925 354 ± 0.000 008 to 158.925 354 ± 0.000 007
(Tm (thulium), 2017: from 168.934 22 ± 0.000 02 to 168.934 218 ± 0.000 006)
Tm (thulium), 2021: from 168.934 218 ± 0.000 006 to 168.934 219 ± 0.000 005
(Y (yttrium), 2017: from 88.905 84 ± 0.000 02 to 88.905 84 ± 0.000 01)
Y (yttrium), 2021: from 88.905 84 ± 0.000 01 to 88.905 838 ± 0.000 002
KW - Argon
KW - Ciaaw.org
KW - Hafnium
KW - Iridium
KW - Lead
KW - LSVEC
KW - Ytterbium
PY - 2022
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-548443
DO - https://doi.org/10.1515/pac-2019-0603
SN - 0033-4545
VL - 94
IS - 5
SP - 573
EP - 600
PB - De Gruyter Verlag
CY - Berlin
AN - OPUS4-54844
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Ganose, Alex M.
A1 - Sahasrabuddhe, Hrushikesh
A1 - Asta, Mark
A1 - Beck, Kevin
A1 - Biswas, Tathagata
A1 - Bonkowski, Alexander
A1 - Bustamante, Joana
A1 - Chen, Xin
A1 - Chiang, Yuan
A1 - Chrzan, Daryl C.
A1 - Clary, Jacob
A1 - Cohen, Orion A.
A1 - Ertural, Christina
A1 - Gallant, Max C.
A1 - George, Janine
A1 - Gerits, Sophie
A1 - Goodall, Rhys E. A.
A1 - Guha, Rishabh D.
A1 - Hautier, Geoffroy
A1 - Horton, Matthew
A1 - Inizan, T. J.
A1 - Kaplan, Aaron D.
A1 - Kingsbury, Ryan S.
A1 - Kuner, Matthew C.
A1 - Li, Bryant
A1 - Linn, Xavier
A1 - McDermott, Matthew J.
A1 - Mohanakrishnan, Rohith Srinivaas
A1 - Naik, Aakash A.
A1 - Neaton, Jeffrey B.
A1 - Parmar, Shehan M.
A1 - Persson, Kristin A.
A1 - Petretto, Guido
A1 - Purcell, Thomas A. R.
A1 - Ricci, Francesco
A1 - Rich, Benjamin
A1 - Riebesell, Janosh
A1 - Rignanese, Gian-Marco
A1 - Rosen, Andrew S.
A1 - Scheffler, Matthias
A1 - Schmidt, Jonathan
A1 - Shen, Jimmy-Xuan
A1 - Sobolev, Andrei
A1 - Sundararaman, Ravishankar
A1 - Tezak, Cooper
A1 - Trinquet, Victor
A1 - Varley, Joel B.
A1 - Vigil-Fowler, Derek
A1 - Wang, Duo
A1 - Waroquiers, David
A1 - Wen, Mingjian
A1 - Yang, Han
A1 - Zheng, Hui
A1 - Zheng, Jiongzhi
A1 - Zhu, Zhuoying
A1 - Jain, Anubhav
T1 - Atomate2: Modular workflows for materials science
N2 - High-throughput density functional theory (DFT) calculations have become a vital element of computational materials science, enabling materials screening, property database generation, and training of “universal” machine learning models. While several software frameworks have emerged to support these computational efforts, new developments such as machine learned force fields have increased demands for more flexible and programmable workflow solutions. This manuscript introduces atomate2, a comprehensive evolution of our original atomate framework, designed to address existing limitations in computational materials research infrastructure. Key features include the support for multiple electronic structure packages and interoperability between them, along with generalizable workflows that can be written in an abstract form irrespective of the DFT package or machine learning force field used within them. Our hope is that atomate2's improved usability and extensibility can reduce technical barriers for high-throughput research workflows and facilitate the rapid adoption of emerging methods in computational material science.
KW - Automation
KW - Materials design
KW - DFT workflows
KW - Phonons
KW - Thermal conductivity
KW - Bonding analysis
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-635759
DO - https://doi.org/10.1039/d5dd00019j
SN - 2635-098X
SP - 1
EP - 30
PB - Royal Society of Chemistry (RSC)
CY - Cambridge
AN - OPUS4-63575
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - GEN
A1 - Ganose, Alex M.
A1 - Sahasrabuddhe, Hrushikesh
A1 - Asta, Mark
A1 - Beck, Kevin
A1 - Biswas, Tathagata
A1 - Bonkowski, Alexander
A1 - Bustamante, Joana
A1 - Chen, Xin
A1 - Chiang, Yuan
A1 - Chrzan, Daryl C.
A1 - Clary, Jacob
A1 - Cohen, Orion A.
A1 - Ertural, Christina
A1 - Gallant, Max C.
A1 - George, Janine
A1 - Gerits, Sophie
A1 - Goodall, Rhys E. A.
A1 - Guha, Rishabh D.
A1 - Hautier, Geoffroy
A1 - Horton, Matthew
A1 - Inizan, T. J.
A1 - Kaplan, Aaron D.
A1 - Kingsbury, Ryan S.
A1 - Kuner, Matthew C.
A1 - Li, Bryant
A1 - Linn, Xavier
A1 - McDermott, Matthew J.
A1 - Mohanakrishnan, Rohith Srinivaas
A1 - Naik, Aakash A.
A1 - Neaton, Jeffrey B.
A1 - Parmar, Shehan M.
A1 - Persson, Kristin A.
A1 - Petretto, Guido
A1 - Purcell, Thomas A. R.
A1 - Ricci, Francesco
A1 - Rich, Benjamin
A1 - Riebesell, Janosh
A1 - Rignanese, Gian-Marco
A1 - Rosen, Andrew S.
A1 - Scheffler, Matthias
A1 - Schmidt, Jonathan
A1 - Shen, Jimmy-Xuan
A1 - Sobolev, Andrei
A1 - Sundararaman, Ravishankar
A1 - Tezak, Cooper
A1 - Trinquet, Victor
A1 - Varley, Joel B.
A1 - Vigil-Fowler, Derek
A1 - Wang, Duo
A1 - Waroquiers, David
A1 - Wen, Mingjian
A1 - Yang, Han
A1 - Zheng, Hui
A1 - Zheng, Jiongzhi
A1 - Zhu, Zhuoying
A1 - Jain, Anubhav
T1 - Correction: Atomate2: Modular workflows for materials science
N2 - Correction for “Atomate2: modular workflows for materials science” by Alex M. Ganose et al., Digital Discovery, 2025, 4, 1944–1973, https://doi.org/10.1039/D5DD00019J.
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-640297
DO - https://doi.org/10.1039/d5dd90036k
SN - 2635-098X
SP - 1
EP - 2
PB - Royal Society of Chemistry (RSC)
CY - Cambridge
AN - OPUS4-64029
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Zhu, Jiangchao
A1 - Schurig, M.
A1 - Schlums, H.
A1 - Madia, Mauro
A1 - Zerbst, Uwe
T1 - Bruchmechanische Bewertung der Integrität einer Turbinenscheibe bei Überdrehzahl
N2 - Turbinenscheiben sind thermisch und mechanisch hochbeanspruchte, sicherheitsrelevante Komponenten in Gasturbinen. Ihre Integrität wird in Bauteiltests unter Überdrehzahlbedingungen nachgewiesen. Kontext des Aufsatzes ist die Erarbeitung einer zusätzlichen Bewertungsebene auf der Grundlage von Versuchen unter monotoner Beanspruchung, die die Beanspruchung im Bauteil realistisch wiedergeben soll. Betrachtet wird ein halbelliptischer Riss, der bei der weiteren Ausbreitung als Umfangsriss wächst (rim peeling). Die Simulation dieser Stelle im Bauteil schließt die mechanische und thermische Beanspruchung sowie sie Dehnungsbehinderung ein. Letztere wird anhand zweier Parameter, der Spannungsmehrachsigkeit ℎ und des (allerdings modifizierten) Constraint-Parameters nach Newman, der die Spannungen über den plastisch verformten Bereich mittelt, bestimmt. Erwartungsgemäß zeigt sich, dass die höchste Dehnungsbehinderung weder an den Oberflächenpunkten, noch an den tiefsten Punkten, sondern an einer Stelle zwischen beiden auf der Rissfront auftritt. Als Versuchsgeometrie für die monotonen Tests soll eine Kreuzprobe mit wanddurchdringenden Rissen ausgehend von einer Innenbohrung dienen. Durch geeignete Wahl der Risstiefe sowie der in beiden Richtungen angreifenden Kräfte gelingt es, bauteiladäquate Zustände zu erzeugen.
T2 - 54. Tagung des DVM-Arbeitskreises Bruchmechanik und Bauteilsicherheit
CY - Online meeting
DA - 22.02.2022
KW - Bruchmechanik
KW - Struktur Integrität
KW - Turbinenscheibe
KW - Constraint
PY - 2022
SP - 13
EP - 22
AN - OPUS4-54403
LA - deu
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Zhu, Jiangchao
A1 - Madia, Mauro
A1 - Schurig, M.
A1 - Schlums, H.
A1 - Zerbst, Uwe
T1 - Fracture mechanics-based structural integrity assessment of aeroengine turbine disks under overspeed conditions
N2 - Aero-engine turbine disks are safety-relevant components which are operated under high thermal and mechanical stress conditions. The actual part qualification and certification procedures make use of spin-tests conducted on productionsimilar disks. While these tests provide, on the one hand, a reliable definition of the critical conditions for real components, on the other hand they represent a relevant cost item for engine manufacturers. The aim of this work is to present part of a fracture mechanics-based procedure under development which aims at replacing the tests on production-similar disks with lab tests on fracture mechanics specimens. In particular, the rimpeeling failure mode is considered as case study. A semi-circular surface crack is modelled at the most stressed region at the diaphragm of a turbine disk, with the crack plane perpendicular to the radial direction. The crack is therefore subjected to a biaxial stress state and grows under increasing rotational speed until it triggers the rim-peeling failure. The finite element simulation of the cracked disk considers the real thermal and mechanical loading conditions. In order to design a lab representative specimen, beside the crack driving force, expressed in terms of � -integral, also the constraint to plastic deformation e.g., stress triaxiality, at the crack-tip must be similar for the same crack in the specimen and in the disk. This has been achieved and as expected, both the highest � -integral and constraint factor are calculated at the same location along the crack front for both disk and specimen. The results of the structural integrity assessment in the form of a Failure Assessment Diagram (FAD) show good agreement between designed specimen and disk both in terms of expected failure mode and value of the critical speed. Probabilistic aspects are also considered in the calculations.
T2 - ASME Turbo Expo 2022: Turbomachinery Technical Conference and Exposition (GT2022)
CY - Rotterdam, The Netherlands
DA - 13.06.2022
KW - Fracture mechanics
KW - Burst
KW - Turbine disk
PY - 2022
SP - 1
EP - 7
PB - ASME
AN - OPUS4-55903
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Nolze, Gert
A1 - Han, M.
A1 - Chen, C.
A1 - Zhao, G.
A1 - Li, L.
A1 - Yo, B.
A1 - Huang, X.
A1 - Zhu, Y.
T1 - Blind lattice-parameter determination of cubic and tetragonal phases with high accuracy using a single EBSD pattern
N2 - The Bravais lattices and their lattice parameters are blindly determined using electron backscatter diffraction (EBSD) patterns of materials with cubic or tetragonal crystal structures. Since the geometric relationships in a single EBSD pattern are overdetermined, the relative errors of determining the lattice parameters as well as the axial ratios are confined to about 0.7 ± 0.4% and 0.07 ± 0.03%, respectively, for ideal simulated EBSD patterns. The accuracy of the crystal orientation determination reaches about 0.06 ± 0.03°. With careful manual band detection, the accuracy of determining lattice parameters from experimental patterns can be as good as from simulated patterns, although the results from simulated patterns are often better than expermental patterns, which are lower quality and contain uncertain systematic errors. The reasonably high accuracy is obtained primarily because the detection of the diffracting-plane traces and zone axes is relatively accurate. The results here demonstrate that the developed procedure based on the EBSD technique presents a reliable tool for crystallographic characterization of the Bravais lattices of unknown phases.
KW - EBSD
KW - Bravais lattice
KW - Lattice parameters
KW - Kikuchi pattern
PY - 2018
DO - https://doi.org/10.1107/S2053273318010963
SN - 2053-2733
VL - 74
IS - 6
SP - 630
EP - 639
PB - International Union of Crystallography
AN - OPUS4-46455
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Zhu, J.
A1 - Madia, Mauro
A1 - Schurig, M.
A1 - Kruse, Julius
A1 - Conrad, F.
A1 - Schlums, H.
A1 - Kontermann, C.
A1 - Zerbst, Uwe
T1 - Anwendung von repräsentativen Proben zur Bewertung der Strukturintegrität von sicherheitsrelevanten Komponenten
N2 - Sicherheitsrelevante Bauteile, bei denen ein Versagen im Betrieb katastrophale Folgen haben könnte, sind in der Regel für eine sehr geringe Ausfallwahrscheinlichkeit ausgelegt und unterliegen strengen Qualifizierungsverfahren gemäß den von den Aufsichtsbehörden festgelegten Richtlinien. Die Hersteller sind oft gezwungen, Tests an realen oder skalierten Komponenten durchzuführen, um die Strukturintegrität unter definierten Belastungsbedingungen sicherzustellen, die in der Regel strenger sind als die im Betrieb zu erwartenden. Dies ist in der Regel mit einem enormen experimentellen und finanziellen Aufwand verbunden. Daher versuchen die Unternehmen, neue Strategien wie digitale Zwillinge zu entwickeln, mit denen die Kosten massiv gesenkt werden können, ohne die Sicherheit zu beeinträchtigen. In dieser Arbeit wird ein neues quasistatisches Prüf- und Bewertungskonzept vorgestellt, dessen Hauptidee darin besteht, die experimentelle Prüfung von Bauteilen durch die Prüfung von für das Bauteil repräsentativen Proben zu ersetzen oder zumindest zu reduzieren. Der größte Vorteil des vorgeschlagenen Konzepts besteht darin, dass die Versuche auf Laborprüfmaschinen durchgeführt werden können. Die Wirksamkeit der Methodik wird anhand der Bewertung der Strukturintegrität einer Turbinenscheibe aus einer Ni-Basis-Superlegierung für Flugzeugtriebwerke bei Überdrehzahl demonstriert.
T2 - 57. Tagung des DVM-Arbeitskreises Bruchmechanik und Bauteilsicherheit
CY - Köln, Germany
DA - 18.02.2025
KW - Strukturintegrität
KW - Bruchmechanik
KW - Turbinenscheibe
KW - Repräsentative Proben
PY - 2025
DO - https://doi.org/10.48447/BR-2025-536
SP - 231
EP - 240
PB - DVM
CY - Berlin
AN - OPUS4-62602
LA - deu
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Yao, J.
A1 - Zhu, G.
A1 - Dong, K.
A1 - Osenberg, M.
A1 - Hilger, A.
A1 - Markötter, Henning
A1 - Ju, J.
A1 - Sun, F.
A1 - Manke, I.
A1 - Cui, G.
T1 - Progress and Perspective of Controlling Li Dendrites Growth in All-Solid-State Li Metal Batteries via External Physical Fields
N2 - Li dendrites penetration through solid electrolytes (SEs) challenges the development of solid-state Li batteries (SSLBs). To date, significant efforts are devoted to understand the mechanistic dynamics of Li dendrites nucleation, growth, and propagation in SEs, and various strategies that aim to alleviate and even inhibit Li dendrite formation have been proposed. Nevertheless, most of these conventional strategies require either additional material processing steps or new materials/layers that eventually increase battery cost and complexity. In contrast, using external fields, such as mechanical force, temperature physical field, electric field, pulse current, and even magnetic field to regulate Li dendrites penetration through SEs, seems to be one of the most cost-effective strategies. This review focuses on the current research progress of utilizing external physical fields in regulating Li dendrites growth in SSLBs. For this purpose, the mechanical properties of Li and SEs, as well as the experimental results that visually track Li penetration dynamics, are reviewed. Finally, the review ends with remaining open questions in future studies of Li dendrites growth and penetration in SEs. It is hoped this review can shed some light on understanding the complex Li dendrite issues in SSLBs and potentially guide their rational design for further development.
KW - Li dendrites
KW - Li dendrites penetration mechanisms
KW - Solid electrolytes
KW - Solid-state batteries
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-588331
DO - https://doi.org/10.1002/aesr.202300165
SN - 2699-9412
SP - 1
EP - 44
PB - Wiley-VCH
CY - Weinheim
AN - OPUS4-58833
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Duan, K.
A1 - Zhu, L.
A1 - Li, M.
A1 - Xiao, L.
A1 - Bevilacqua, N.
A1 - Eifert, L.
A1 - Manke, I.
A1 - Markötter, Henning
A1 - Zhang, R.
A1 - Zeis, R.
A1 - Sui, P. -C.
T1 - Multiphase and Pore Scale Modeling on Catalyst Layer of High-Temperature Polymer Electrolyte Membrane Fuel Cell
N2 - Phosphoric acid as the electrolyte in high-temperature polymer electrolyte membrane fuel cell plays an essential role in ist performance and lifetime. Maldistribution of phosphoric acid in the catalyst layer (CL) may result in performance degradation. In the present study, pore-scale simulations were carried out to investigate phosphoric acid’s multiphase flow in a cathode CL. A reconstructed CL model was built using focused ion beam-SEM images, where distributions of pore, carbon support, binder, and catalyst particles can be identified. The multi-relaxation time lattice Boltzmann method was employed to simulate phosphoric Acid invading and leaching from the membrane into the CL during the membrane electrode assembly fabrication process. The predicted redistribution of phosphoric acid indicates that phosphoric acid of low viscosity or low wettability is prone to leaching into the CL.
The effective transport properties and the active electrochemical active surface area (ECSA) were computed using a pore-scale model. They were subsequently used in a macroscopic model to evaluate the cell performance. A parametric study shows that cell performance first increases with increasing phosphoric acid content due to the increase of ECSA. However, further increasing phosphoric acid content results in performance degradation due to mass transfer limitation caused by acid flooding.
KW - Gas diffusion layers
KW - Lattice Boltzmann simulation
KW - Electrochemical impedance spectra
KW - Phosphoric acid
KW - HT-PEFC
PY - 2021
DO - https://doi.org/10.1149/1945-7111/abff03
VL - 168
IS - 5
SP - 054521
PB - IOP Science
AN - OPUS4-53836
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Lin, R.
A1 - Li, X.
A1 - Krajnc, A.
A1 - Li, Z.
A1 - Li, M.
A1 - Wang, W.
A1 - Zhuang, L.
A1 - Smart, S.
A1 - Zhu, Z.
A1 - Appadoo, D.
A1 - Harmer, J. R.
A1 - Wang, Z.
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Beyer, S.
A1 - Wang, L.
A1 - Mali, G.
A1 - Bennett, T. D.
A1 - Chen, V.
A1 - Hou, J.
T1 - Mechanochemically Synthesised Flexible Electrodes Based on Bimetallic Metal–Organic Framework Glasses for the Oxygen Evolution Reaction
N2 - The melting behaviour of metal–organic frameworks (MOFs) has aroused significant research interest in the areas of materials science, condensed matter physics and chemical engineering. This work first introduces a novel method to fabricate a bimetallic MOF glass, through meltquenching of the cobalt-based zeolitic imidazolate Framework (ZIF) [ZIF-62(Co)] with an adsorbed ferric coordination complex. The high-temperature chemically reactive ZIF-62-(Co) liquid facilitates the formation of coordinative bonds between Fe and imidazolate ligands, incorporating Fe nodes into the framework after quenching. The resultant Co–Fe bimetallic MOF glass therefore shows a significantly enhanced oxygen evolution reaction performance. The novel bimetallic MOF glass, when combined with the facile and scalable mechanochemical synthesis technique for both discrete powders and surface coatings on flexible substrates, enables significant opportunities for catalytic device Assembly
KW - Electrodes
KW - MOF
KW - OER
KW - XANES
KW - XAS
KW - Bimetallic frameworks
PY - 2022
DO - https://doi.org/10.1002/anie.202112880
VL - 61
IS - 4
SP - e202112880
PB - Wiley
AN - OPUS4-54018
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Gomes, Bruna F.
A1 - Prokop, Martin
A1 - Bystron, Tomas
A1 - Loukrakpam, Rameshwori
A1 - Melke, Julia
A1 - Lobo, Carlos M. S.
A1 - Fink, Michael
A1 - Zhu, Mengshu
A1 - Voloshina, Elena
A1 - Kutter, Maximilian
A1 - Hoffmann, Hendrik
A1 - Yusenko, Kirill V.
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Röder, Bettina
A1 - Bouzek, Karel
A1 - Paulus, Beate
A1 - Roth, Christina
T1 - Following Adsorbed Intermediates on a Platinum Gas Diffusion Electrode in H3PO3-Containing Electrolytes Using In Situ X-ray Absorption Spectroscopy
N2 - One of the challenges of high-temperature polymer electrolyte membrane fuel cells is the poisoning of the Pt catalystwith H3PO4. H3PO4 is imbibed into the routinely used polybenzimidazole-based membranes, which facilitate Proton conductivity in the temperature range of 120−200 °C. However, when leached out of the membrane by water produced during operation, H3PO4 adsorbs on the Pt catalyst surface, blocking the active sites and hindering the oxygen reduction reaction (ORR).
The reduction of H3PO4 to H3PO3, which occurs at the anode due to a combination of a low potential and the presence of gaseous H2, has been investigated as an additional important contributing factor to the observed poisoning effect. H3PO3 has an affinity toward adsorption on Pt surfaces even greater than that of H2PO4 −. In this work, we investigated the poisoning effect of both H3PO3 and H3PO4 using a half-cell setup with a gas diffusion electrode under ambient conditions. By means of in situ X-ray absorption spectroscopy, it was possible to follow the signature of different species adsorbed on the Pt nanoparticle catalyst (H, O, H2PO4 −, and H3PO3) at different potentials under ORR conditions in various electrolytes (HClO4, H3PO4, and H3PO3). It was found that H3PO3 adsorbs in a pyramidal configuration P(OH)3 through a Pt−P bond. The competition between H3PO4 and H3PO3 adsorption was studied, which should allow for a better understanding of the catalyst poisoning mechanism and thus assist in the development of strategies to mitigate this phenomenon in the future by minimizing H3PO3 generation by, for example, improved catalyst design or adapted operation conditions or changes in the electrolyte composition.
KW - H3PO4 life cycle
KW - XAS
KW - In situ coupling
KW - High-temperature fuel cells
KW - H3PO3,
KW - Δμ XANES
PY - 2022
DO - https://doi.org/10.1021/acscatal.2c02630
SN - 2155-5435
VL - 12
IS - 18
SP - 11472
EP - 11484
PB - American Chemical Society (ACS)
AN - OPUS4-64733
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Tu, Z.
A1 - Donskyi, Ievgen
A1 - Qiao, H.
A1 - Zhu, Z.
A1 - Unger, Wolfgang
A1 - Hackenberger, C. P. R.
A1 - Chen, W.
A1 - Adeli, M.
A1 - Haag, R.
T1 - Graphene Oxide-Cyclic R10 Peptide Nuclear Translocation Nanoplatforms for the Surmounting of Multiple-Drug Resistance
N2 - Multidrug resistance resulting from a variety of defensive pathways in Cancer has become a global concern with a considerable impact on the mortality associated with the failure of traditional chemotherapy. Therefore, further research and new therapies are required to overcome this challenge. In this work, a cyclic R10 peptide (cR10) is conjugated to polyglycerol-covered nanographene oxide to engineer a nanoplatform for the surmounting of multidrug resistance. The nuclear translocation of the nanoplatform, facilitated by cR10 peptide, and subsequently, a laser-triggered release of the loaded doxorubicin result in efficient anticancer activity confirmed by both in vitro and in vivo experiments. The synthesized nanoplatform with a combination of different features, including active nucleus-targeting, highloading capacity, controlled release of cargo, and photothermal property, provides a new strategy for circumventing multidrug resistant cancers.
KW - Graphen Oxide
KW - Nanoplatform
KW - Cancer
PY - 2020
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-510061
DO - https://doi.org/10.1002/adfm.202000933
VL - 30
IS - 35
SP - 2000933
PB - Wiley VCH
AN - OPUS4-51006
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -