Results 111 to 120 of about 101,057 (252)

Experimental Characterization and Constitutive Modeling of the Effect of Prior Inelastic Strain on the Viscoplastic Behavior of AD730 at 700 °C

Advanced Engineering Materials, EarlyView.
This study shows that superalloys used in aircraft engine disks become much more prone to deformation at high temperatures if they have been strained during manufacturing. This effect increases with the level of prior strain but eventually reaches a limit.
Fabio Machado Alves da Fonseca, Patrick Villechaise, Malik Durand, Arnaud Longuet, Florent Coudon, Loïc Signor, Julien De Jaeger, Dominique Eyidi, Nathalie Bozzolo, Jonathan Cormier   +9 more
wiley   +1 more source

Structural basis for pathogenic variants of GJB2 and hearing levels of patients with hearing loss

BMC Research Notes
Objectives The crystal structure of the six protomers of gap junction protein beta 2 (GJB2) enables prediction of the effect(s) of an amino acid substitution, thereby facilitating investigation of molecular pathogenesis of missense variants of GJB2. This
Kazunori Namba, Hideki Mutai, Tatsuo Matsunaga, Hiroki Kaneko   +3 more
doaj   +1 more source

Precipitation Simulations of the O‐Phase in Ti2AlNb Alloys Processed by Laser Powder Bed Fusion

Advanced Engineering Materials, EarlyView.
Simulated and experimental evolution of the O‐phase volume fraction during postprocessing of a Ti‐21Al‐25Nb (at.%) alloy processed by laser powder bed fusion. With results of sensitivity to input parameters from a thorough and quantified analysis, the interfacial energy matrix/precipitate is the most relevant input parameter for the simulation of the O‐
Silvana Tumminello, Joachim Gussone, Suzana G. Fries, Marcus Rackel, Andreas Stark, Norbert Schell, Jan Haubrich, Guillermo Requena   +7 more
wiley   +1 more source

Frontiers of molecular crystal structure prediction for pharmaceuticals and functional organic materials. [PDF]

Chem Sci, 2023
Beran GJO.
europepmc   +1 more source

Modeling Dislocation Cutting of γ′ Precipitates in Ni‐Base Superalloys: Linking Atomistic and Dislocation Dynamics Simulations

Advanced Engineering Materials, EarlyView.
Dislocation cutting of γ′ precipitates in Ni‐based superalloys is investigated by linking atomistic simulations with discrete dislocation dynamics. The critical cutting stress is shown to be governed by the antiphase boundary energy, while line tension effects promote edge‐preferred cutting.
Frédéric Houllé, Siwen Gao, Marc Fivel, Anxin Ma, Daria Smirnova, Sriram Anand, Arun Prakash, Julien Guénolé, Alexander Hartmaier, Erik Bitzek   +9 more
wiley   +1 more source

Rapid prediction of molecular crystal structures using simple topological and physical descriptors

Nature Communications
Organic molecular crystals constitute a class of materials of critical importance in numerous industries. Despite the ubiquity of these systems, our ability to predict molecular crystal structures starting only from a two-dimensional diagram of the ...
Nikolaos Galanakis, Mark E. Tuckerman
doaj   +1 more source

Triple Junctions as Dislocation‐Like Defects: The Role of Grain Boundary Crystallography Revealed by Experiment and Atomistic Simulation

Advanced Engineering Materials, EarlyView.
Grain boundary triple junctions are an essential ingredient of the microstructure of polycrystalline materials. In this study, a triple junction is observed using atomic‐resolution scanning transmission electron microscopy and characterized. Computer simulations reveal that the junction has a dislocation character that is determined by the joining ...
Tobias Brink, Saba Saood, Peter Schweizer, Jörg Neugebauer, Gerhard Dehm   +4 more
wiley   +1 more source

External and Internal Cracking Caused by Heat Treatment in Laser Powder Bed Fusion‐Fabricated Inconel 738LC Components

Advanced Engineering Materials, EarlyView.
Manufacturing problems such as heat treatment‐induced cracking hinder the widespread application of the laser powder bed fusion (LPBF) process to superalloys. In this study, cracks in the LPBF components of Inconel 738LC superalloy are characterized after heat treatment at various temperature ranges, revealing two distinct cracking behaviors.
Kosuke Kuwabara, Masahiro Kusano, Ayako Ikeda, Toshio Osada, Makoto Watanabe   +4 more
wiley   +1 more source

Geometric Deep Learning for Molecular Crystal Structure Prediction. [PDF]

J Chem Theory Comput, 2023
Kilgour M, Rogal J, Tuckerman M.
europepmc   +1 more source

DigiChrom: A Domain Ontology for Semantic Representation of Trivalent Chromium Platings and Its Large Language Model‐Based Alignment With Multiple Mid‐Level Ontologies

Advanced Engineering Materials, EarlyView.
Digitalizing electroplating requires both domain knowledge and interoperability. This work introduces PlatOn, a domain ontology for trivalent chromium plating and coating characterization, and a hybrid pipeline that aligns it to a mid‐level reference ontology by combining eight similarity metrics with language model reasoning. Expert‐validated mappings
Janik Harter, Elena Garcia Trelles, Christoph Schweizer, Thomas Seifert, Christoph Baumer, Mahmoud Elkady, Katja Feige, Daniel Grimme, Edgar Hoffmann, Andreas Waibel, Anke Walter   +10 more
wiley   +1 more source