| Title
A single sentence description.
|
Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [3, 3, -4] v000 |
|---|---|
| Description | This Test computes the dislocation core energy of a bcc W crystal at zero temperature and pressure with burgers vector [0.5, 0.5, 0.5] along line direction [3, 3, -4] for a specific set of dislocation core cutoff radii using the non-singular, isotropic and anisotropic elasticity formulations. See the DislocationCoreEnergyCubic test driver for more details. |
| Species
The supported atomic species.
| W |
| Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
|
None |
| Contributor |
Yichen Qian |
| Maintainer |
Claire Waters |
| Developer |
Yichen Qian Yaser Afshar Daniel S. Karls Nicolas Bertin Vasily V Bulatov Ellad B. Tadmor David Cereceda Claire Waters |
| Published on KIM | 2023 |
| How to Cite | |
| Funding | Not available |
| Short KIM ID
The unique KIM identifier code.
| TE_233802465214_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.
| DislocationCoreEnergyCubic_bcc_W_0p50p50p5_33m4__TE_233802465214_000 |
| Citable Link | https://openkim.org/cite/TE_233802465214_000 |
| KIM Item Type | Test |
| Driver | DislocationCoreEnergyCubic__TD_452950666597_002 |
| Properties
Properties as defined in kimspec.edn.
| |
| KIM API Version | 2.3.0 |
| Simulator Name
The name of the simulator as defined in kimspec.edn.
| LAMMPS |
| Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
| 100.00% Python |
This Test requires a Test Driver. Click below for the Test Driver DislocationCoreEnergyCubic__TD_452950666597_002 archive.