Maksym Kraiev, Eugene Voronkov and Violeta Kraieva
The purpose is to calculate the change in the total energy of a small fragment of an idealized lattice of iron (in its pure form and with impurity atoms) containing an edge…
Abstract
Purpose
The purpose is to calculate the change in the total energy of a small fragment of an idealized lattice of iron (in its pure form and with impurity atoms) containing an edge dislocation during its elementary motion at one interatomic spacing, both under the influence of a constant magnetic field and without it. The introduction of a magnetic field into the system is aimed at checking the adequacy of the description of the phenomenon of magnetoplasticity by changing the total energy of the atomic system.
Design/methodology/approach
The design procedure is based on a quantum-mechanical description of the switching process of the covalent bond of atoms in the dislocation core. The authors used the method of density functional theory in the Kohn-Shem version, implemented in the GAUSSIAN 09 software package. Using the perturbation theory, the authors modeled the impact of an external constant magnetic field on the energy of a system of lattice atoms.
Findings
The simulation results confirmed the effect of an external constant magnetic field on the switching energy of the covalent bond of atoms in the dislocation core, and also a change in the magnetic susceptibility of a system of atoms with a dislocation. This complements the description of the magnetoplastic effect during the deformation of metals.
Originality/value
The authors created quantum-mechanical models of the dislocation motion in the Fe crystal lattice: without impurities, with a substitutional atom Cr and with an interstitial atom C. The models take into account the influence of an external constant magnetic field.
Details
Keywords
Silvio Peroni, Alexander Dutton, Tanya Gray and David Shotton
Citation data needs to be recognised as a part of the Commons – those works that are freely and legally available for sharing – and placed in an open repository. The paper aims to…
Abstract
Purpose
Citation data needs to be recognised as a part of the Commons – those works that are freely and legally available for sharing – and placed in an open repository. The paper aims to discuss this issue.
Design/methodology/approach
The Open Citation Corpus is a new open repository of scholarly citation data, made available under a Creative Commons CC0 1.0 public domain dedication and encoded as Open Linked Data using the SPAR Ontologies.
Findings
The Open Citation Corpus presently provides open access (OA) to reference lists from 204,637 articles from the OA Subset of PubMed Central, containing 6,325,178 individual references to 3,373,961 unique papers.
Originality/value
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