Results 91 to 100 of about 251,313 (260)

Substitution effect and effect of axle’s flexibility at (pseudo-)rotaxanes

Beilstein Journal of Organic Chemistry, 2014
This study investigates the effect of substitution with different functional groups and of molecular flexibility by changing within the axle from a single C–C bond to a double C=C bond.
Friedrich Malberg, Jan Gerit Brandenburg, Werner Reckien, Oldamur Hollóczki, Stefan Grimme, Barbara Kirchner   +5 more
doaj   +1 more source

Combined Process‐ and Phase‐Field‐Simulation to Predict the Microstructure of Single‐Crystal Ni‐Based Superalloys

Advanced Engineering Materials, EarlyView.
A combined finite element and phase‐field approach predicts the evolution of microstructure during the directional solidification of Ni‐based superalloys. The model reveals how withdrawal rate, temperature gradient, and wall thickness control the dendrite spacing, highlighting the strong effect of surface regions in thin sections where dendrite growth ...
Sean Böhm, André B. Baldissera, Rainer Völkl, Uwe Glatzel   +3 more
wiley   +1 more source

Mathematical Models Generated for the Prediction of Corrosion Inhibition Using Different Theoretical Chemistry Simulations. [PDF]

Materials (Basel), 2020
Rodríguez JA, Cruz-Borbolla J, Arizpe-Carreón PA, Gutiérrez E.   +3 more
europepmc   +1 more source

Powder Optimization Strategies for Binder Jetting Printing of BaTiO3 and Ba0,6Sr0,4TiO3 Ceramics

Advanced Engineering Materials, EarlyView.
Powder optimization is investigated to enable binder jetting of BaTiO3 and Ba0.6Sr0.4TiO3 ferroelectric ceramics. The antagonistic relationship between flowability and binder compatibility is addressed through binder impregnation of granulated powders and fumed silica addition to fine powders.
Fanny Pruvost, Lionel Presmanes, Soléna Colin, Marie Vidal, Sophie Guillemet‐Fritsch   +4 more
wiley   +1 more source

Al–Cu Composite Casting of Laser‐Deoxidized Copper: Bonding, Interfacial Chemistry, and Thermal Conductivity

Advanced Engineering Materials, EarlyView.
This study investigates laser‐based oxide removal of Cu inserts in oxygen‐free conditions and examines long‐term oxidation kinetics and surface chemistry under different atmospheres via X‐ray photoelectron spectroscopy. Al–Cu compound casting with differently oxidized surfaces is performed, and intermetallic phase formation, morphology, and thermal ...
Timon Steinhoff, Finn‐Lennard Janthur, Sascha Zimmermann, Sarah Seffer, Jörg Hermsdorf, René Gustus, Ludger Overmeyer, Wolfgang Maus‐Friedrichs, Hans Jürgen Maier, Christian Klose   +9 more
wiley   +1 more source

Investigation of Oxygen‐Free Wetting Behavior of Aluminum on Copper via Molecular Dynamics Simulations and Experiments

Advanced Engineering Materials, EarlyView.
The wettability of aluminum droplets (Al) on different copper substrates (Cu), where liquid Al spreads on solid Cu surfaces to form a liquid–solid interface, is studied numerically and experimentally. The experimental and numerical results show good agreement in the fast‐spreading regime.
Shan Lyu, Timon Steinhoff, Finn‐Lennard Janthur, Sarah Seffer, Jörg Hermsdorf, Christian Klose, Ludger Overmeyer, Hans‐Jürgen Maier, Nina Merkert   +8 more
wiley   +1 more source

Productivity‐Driven Optimization of Laser Powder Bed Fusion Parameters for IN718 Superalloy: Process Control, Microstructure, and Mechanical Properties

Advanced Engineering Materials, EarlyView.
This study demonstrates how optimizing laser power, scanning speed, and hatching distance in laser powder bed fusion can boost the productivity of Inconel 718 manufacturing by up to 29% while maintaining mechanical integrity. The work delivers a validated process window and cost–time analysis, offering industry‐ready guidelines for efficient additive ...
Amir Behjat, Guido Barale, John Stavridis, Ehsan Norouzi, Jin‐Yoo Suh, Dong‐Ik Kim, Luca Iuliano, Abdollah Saboori   +7 more
wiley   +1 more source

60th Symposium on Theoretical Chemistry: Next-Generation Theoretical Chemistry [PDF]

This year’s Symposium for Theoretical Chemistry (STC 2024) took place in Braunschweig at the beginning of September 2024. The Symposium for Theoretical Chemistry is the most important international conference for theoretical chemistry in the German-speaking countries and takes place annually at different locations in Germany, Austria or Switzerland ...
Jacob, Christoph, Proppe, Jonny, Wolter, Mario, van Bodegraven, Anna, Lecher, Simone   +4 more
openaire   +1 more source

Field Report from Collaborative Research Center 1625: Heterogeneous Research Data Management Using Ontology Representations

Advanced Engineering Materials, EarlyView.
A unified research data management framework for heterogeneous materials data is presented. The system integrates multimodal datasets using ontologies and knowledge graphs, enabling interoperability and FAIR (findable, accessible, interoperable, reusable) data principles. By linking data across scales and workflows, it supports reproducible, Artifitial
Doaa Mohamed, Samuel García Vázquez, Behnam Mardani, Victor Dudarev, Alfred Ludwig, Maribel Acosta, Markus Stricker   +6 more
wiley   +1 more source

Towards Defect Phase Diagrams: From Research Data Management to Automated Workflows

Advanced Engineering Materials, EarlyView.
A research data management infrastructure is presented for the systematic integration of heterogeneous experimental and simulation data required for defect phase diagrams. The approach combines openBIS with a companion application for large‐object storage, automated metadata extraction, provenance tracking and federated data access, thereby supporting ...
Khalil Rejiba, Sang‐Hyeok Lee, Christina Gasper, Martina Freund, Sandra Korte‐Kerzel, Ulrich Kerzel   +5 more
wiley   +1 more source