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- aggregation classification "A1".
- aggregation creator B991028.
- aggregation creator B991029.
- aggregation creator person.
- aggregation creator person.
- aggregation creator person.
- aggregation date "2014".
- aggregation format "application/pdf".
- aggregation hasFormat 5712839.bibtex.
- aggregation hasFormat 5712839.csv.
- aggregation hasFormat 5712839.dc.
- aggregation hasFormat 5712839.didl.
- aggregation hasFormat 5712839.doc.
- aggregation hasFormat 5712839.json.
- aggregation hasFormat 5712839.mets.
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- aggregation hasFormat 5712839.txt.
- aggregation hasFormat 5712839.xls.
- aggregation hasFormat 5712839.yaml.
- aggregation isPartOf urn:issn:0965-0393.
- aggregation language "eng".
- aggregation rights "I have transferred the copyright for this publication to the publisher".
- aggregation subject "Physics and Astronomy".
- aggregation title "Many-body central force potentials for tungsten".
- aggregation abstract "Tungsten and tungsten-based alloys are the primary candidate materials for plasma facing components in fusion reactors. The exposure to high-energy radiation, however, severely degrades the performance and lifetime limits of the in-vessel components. In an effort to better understand the mechanisms driving the materials' degradation at the atomic level, large-scale atomistic simulations are performed to complement experimental investigations. At the core of such simulations lies the interatomic potential, on which all subsequent results hinge. In this work we review 19 central force many-body potentials and benchmark their performance against experiments and density functional theory (DFT) calculations. As basic features we consider the relative lattice stability, elastic constants and point-defect properties. In addition, we also investigate extended lattice defects, namely: free surfaces, symmetric tilt grain boundaries, the 1/2 < 111 > {110} and 1/2 < 111 > {112} stacking fault energy profiles and the 1/2 < 111 > screw dislocation core. We also provide the Peierls stress for the 1/2 < 111 > edge and screw dislocations as well as the glide path of the latter at zero Kelvin. The presented results serve as an initial guide and reference list for both the modelling of atomically-driven phenomena in bcc tungsten, and the further development of its potentials.".
- aggregation authorList BK1392733.
- aggregation issue "5".
- aggregation volume "22".
- aggregation aggregates 5712866.
- aggregation isDescribedBy 5712839.
- aggregation similarTo 053001.
- aggregation similarTo LU-5712839.