Jump to: Files | Wiki

TIDP__MD_167784395616_000

Title
A single sentence description.
Driver for the Tunable Intrinsic Ductility Potential due to Rajan et al. (2016) v000
Description A family of interatomic potentials is constructed for which the intrinsic ductility can be tuned systematically. Specifically, the elastic constants and critical energy release rate for Griffith cleavage, GIc, are held constant, while the critical energy release rate for dislocation emission, GIe, can be varied. This behavior is achieved by modifying a standard near-neighbor pair potential; the new potential is applicable to either 2D (hexagonal lattice) or 3D (FCC/HCP). Analytical expressions are provided for GIe and GIc, enabling a potential with a desired intrinsic ductility to be easily developed. Direct atomistic simulations are used to demonstrate that the new potentials control the intrinsic material ductility, i.e. crack tip dislocation emission versus brittle cleavage, under quasi-static loading. For the 2D potential, the mode I crack tip behavior can be tuned from brittle to ductile; for the 3D potential, such tuning is only possible for certain crack orientations. More generally, the new potentials are expected to be useful in a wide range of physical problems in which behavior is controlled by the ability of the material to nucleate dislocations, including problems involving crack tips, grain boundaries, contact and friction, and bi-material interfaces.
Disclaimer
A short statement of applicability which will accompany any results computed using it. A developer can use the disclaimer to inform users of the intended use of this KIM Item.
This is a "toy model" (model interatomic potential) designed to study the general principles of material deformation and fracture without confining attention to a particular material system.
Contributor tadmor
Maintainer tadmor
Author Ellad Tadmor
Publication Year 2019
Source Citations
A citation to primary published work(s) that describe this KIM Item.

Rajan VP, Warner DH, Curtin WA (2016) An interatomic pair potential with tunable intrinsic ductility. Modelling and Simulation in Materials Science and Engineering 24(2):025005. doi:10.1088/0965-0393/24/2/025005

Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
MD_167784395616_000
Extended KIM ID
The long form of the KIM ID including a human readable prefix (100 characters max), two underscores, and the Short KIM ID. Extended KIM IDs can only contain alpha-numeric characters (letters and digits) and underscores and must begin with a letter.
TIDP__MD_167784395616_000
DOI 10.25950/6c7aadad
https://doi.org/10.25950/6c7aadad
https://search.datacite.org/works/10.25950/6c7aadad
KIM Item TypeModel Driver
KIM API Version2.0
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% C



Wiki


Login to edit Wiki content




Wiki Contributors
2019-03-04T08:59:14.015997 tadmor
2019-03-04T08:58:30.278878 tadmor
2019-03-04T08:54:03.447883 tadmor
2019-03-04T08:52:29.202707 tadmor
2019-03-04T08:51:00.807573 tadmor
2019-03-04T08:48:27.608831 tadmor