CSaransh

Cascades List - 50 cascades - Filter, View, Plot Using Action Buttons

Inputs

Output Defects Information

Select...

101

R0a8-1

0.14

R0a8-2

0.17

R0a8-3

0.01

R0a8-4

0.38

R0a8-5

0.17

Page

of 10

Elements

1 W

Energies

From 2k to 2k

Planarity of Cascades

78 % planar

Classes of Clusters

13 different shapes

Visualize and Find Patterns

Currently Viewing - R0a8-1-W-2-0

Click on a cluster to find similar clusters in the section below

2D Eigen Contours

Shows density variations, helpful in estimating major subcascades

Cluster Comparison

eigen dim. var:0.8, 0.13; majority interstitials; class-3c

Cluster Id

Similarity By

Angles

Match only clusters with similar number of defects

For the selected cluster of the current cascade, shows the top similar clusters from the whole database. Plots are in eigen basis, eigen var hints at dimensionality.

Statistics over filtered rows

50 rows currently filtered

View Cluster Classes

Based on the Shapes of the Clusters

Cluster Classes

Classification type

supervised (kNN)

Shows cluster classification. Different classes are shown with different colors. Click on a point on left to view the cluster on right. Click on legend to toggle a class and double click on legend label to only make that class points appear. The classes are found using supervised learning on the classes described : here.

A schematic diagram of all the classes used for supervised learning. The typical cluster shape for each class is also shown. The classes are placed in a way similar to where dimensionality reduction above places them relative to each other.

Classification grouped by

Distribution of classes among groups - Select grouping from the top selection.

View and Compare Cascade Info

Plots, Distributions, Info to compare, copy, download

Cluster Size Distribution

R0a8-1

Comparison Plot

Distribution around PKA

Angular distribution of defects around PKA direction - only if PKA angles are given in input while post-processing

Details - undefined

File	../data/cascadesdb-dl/0a8-w-2/md.movie-2-5.xyz
Substrate	W
Energy	2
Cells	30

Box-size	94.956
PKA Angles(θ, φ)	0, 0
PKA Position	-0.0001, 0.0006, -0.0004
Origin	-14.75-14.7494-14.7503

Number of defects	5
Max interestitial cluster size	2
% interstitials in clusters	40
Extra Interstitial densities	1
Eigen Dimensions Variance	0.49, 0.38, 0.13

Number of cluster	2
Max vacancy cluster size	3
% vacancy in clusters	60
Extra Vac. densities (Subcascades)	0
Second Vac. density Impact	0

x	y	z	Type	Cluster-ID
-12.5592	9.57765	-4.87368	interstitial	0
4.66134	6.42064	7.82885	interstitial	0
6.20329	12.546	-10.9491	interstitial	0
6.52605	1.54957	-4.91714	interstitial	8
6.1155	4.03365	-6.2271	interstitial	8
-5.53942	3.9584	-2.37517	vacancy	13
-3.95682	2.3758	-0.792566	vacancy	13
-2.37422	3.9584	0.790034	vacancy	13
-0.791617	-13.4502	8.70303	vacancy	0
-0.791617	-3.9546	8.70303	vacancy	0

Details - undefined

File	../data/cascadesdb-dl/0a8-w-2/md.movie-2-5.xyz
Substrate	W
Energy	2
Cells	30

Box-size	94.956
PKA Angles(θ, φ)	0, 0
PKA Position	-0.0001, 0.0006, -0.0004
Origin	-14.75-14.7494-14.7503

Number of defects	5
Max interestitial cluster size	2
% interstitials in clusters	40
Extra Interstitial densities	1
Eigen Dimensions Variance	0.49, 0.38, 0.13

Number of cluster	2
Max vacancy cluster size	3
% vacancy in clusters	60
Extra Vac. densities (Subcascades)	0
Second Vac. density Impact	0

x	y	z	Type	Cluster-ID
-12.5592	9.57765	-4.87368	interstitial	0
4.66134	6.42064	7.82885	interstitial	0
6.20329	12.546	-10.9491	interstitial	0
6.52605	1.54957	-4.91714	interstitial	8
6.1155	4.03365	-6.2271	interstitial	8
-5.53942	3.9584	-2.37517	vacancy	13
-3.95682	2.3758	-0.792566	vacancy	13
-2.37422	3.9584	0.790034	vacancy	13
-0.791617	-13.4502	8.70303	vacancy	0
-0.791617	-3.9546	8.70303	vacancy	0