UKAEA Open Data

Data can transform an entire enterprise

Published Data

These pages provide an access point to data contained in CCFE published journal papers.  By selecting a paper, and then a specific figure or table, you can request the related underlying data if it is available for release.

« Back

Publication Figures

Publication Date:
2019-01-10

First Author:
Pui-Wai Ma

Title:
The universality of point defect structure in body-centred cubic metals

Paper Identifier:
CP/18/203

Search the list of Figures using keywords (case insensitive):

To drill down to information on Data within a published figure, select a table cell where the figure's number of Data Items > 0
Use the Download buttons to download information on each listed figure, e.g. the image file and how it was created

Figure Reference Title Description Number of Figure Data Items Identifier Download Figure Details
Fig 1 W_111dumbbell_2001atoms_final.png Sketch of the atomic structure of a $langle 111 rangle$ self-interstitial atom dumbbell defect in bcc lattice. 1 CF/18/204 Download
Fig 1a Na_diff_charge_111dumbbell_-211.png Two-dimensional plots of electron charge density difference in sodium (left) and tungsten (right), computed for a $langle 111rangle$ dumbbell SIA defect in the $(bar{2}11)$ plane. Electron charge density difference equals the fully convergent electron density computed {it ab initio} minus the superposition of atomic charge densities. 0 CF/18/206 Download
Fig 1b W_diff_charge_111dumbbell_-211.png Two-dimensional plots of electron charge density difference in sodium (left) and tungsten (right), computed for a $langle 111rangle$ dumbbell SIA defect in the $(bar{2}11)$ plane. Electron charge density difference equals the fully convergent electron density computed {it ab initio} minus the superposition of atomic charge densities. 0 CF/18/207 Download
Fig 3a BCC_Metals_Group1_plus_Ba.eps Formation energies of various self-interstitial atom (SIA) defect configurations in bcc metals. Formation energies are shown using the formation energy of a $langle 111 rangle$ dumbbell as a reference value for a given metal. 1 CF/18/208 Download
Fig 3b BCC_Metals_Group5and6_and_Fe.eps Formation energies of various self-interstitial atom (SIA) defect configurations in bcc metals. Formation energies are shown using the formation energy of a $langle 111 rangle$ dumbbell as a reference value for a given metal. 1 CF/18/210 Download
Fig 4 migration_energy_Fe.eps Variation of energy along the pathway of migration of a $langle 110 rangle$ dumbbell in Fe. 1 CF/18/212 Download
Fig 5 migration_magmom_Fe.eps Magnetic moments of the three atoms undergoing the greatest displacement during the migration of a $langle 110 rangle$ dumbbell in Fe. Atoms 1 and 2 are the two atoms that are initially at the centre of the SIA configuration, whereas atoms 2 and 3 form of the centre of the defect at its final position. 1 CF/18/214 Download
Fig 6a Fe_mag_eq1.png Migration of a $langle 110 rangle$ dumbbell in Fe. Top: the initial atomic configuration; Middle: the saddle point; Bottom: the final configuration. Colour of atoms refers to the magnitude of atomic magnetic moment given in Bohr magneton units $mu_B$. 2 CF/18/216 Download
Fig 6b Fe_mag_sad.png Migration of a $langle 110 rangle$ dumbbell in Fe. Top: the initial atomic configuration; Middle: the saddle point; Bottom: the final configuration. Colour of atoms refers to the magnitude of atomic magnetic moment given in Bohr magneton units $mu_B$. 1 CF/18/219 Download
Fig 6c Fe_mag_eq2.png 2 CF/18/221 Download
Fig 6d Fe_mag_scale.png Scale bar for Fig 6 0 CF/18/224 Download
Fig 7a Fe_Pii.eps Variation of elements of the dipole tensor of a $langle 110 rangle$ dumbbell in Fe along the defect migration pathway. 1 CF/18/225 Download
Fig 7b Fe_Pij.eps Variation of elements of the dipole tensor of a $langle 110 rangle$ dumbbell in Fe along the defect migration pathway. 1 CF/18/227 Download
Fe_Omega_ii.eps Variation of the relaxation volume tensor of a $langle 110 rangle$ dumbbell in Fe along the defect migration pathway. The values are given in atomic volume units. 1 CF/18/229 Download
Fig 8b Fe_Omega_ij.eps Variation of the relaxation volume tensor of a $langle 110 rangle$ dumbbell in Fe along the defect migration pathway. The values are given in atomic volume units. 1 CF/18/231 Download