Diffusion Calculator: HCP Dilute Solutes

By Henry Wu1; DANE MORGAN

1. University of Wisconsin-Madison

This tool calculates the diffusivity of a dilute solute in an HCP lattice with the 8-frequency model.

Launch Tool

You must login before you can run this tool.

Version 1.1 - published on 28 Oct 2015

doi:10.4231/D3D50FZ5X cite this

Open source: license | download

View All Supporting Documents

Usage

World usage

Location of all "Diffusion Calculator: HCP Dilute Solutes" Users Since Its Posting

Cumulative Simulation Users

32

1 1 3 3 3 3 4 4 5 5 7 8 10 12 12 12 12 12 12 13 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 17 17 19 19 19 19 20 20 20 20 20 20 21 22 22 23 23 23 23 23 23 23 23 23 23 24 24 24 26 26 26 26 26 26 26 26 26 26 27 27 27 27 27 27 29 30 30 30 30 30 30 30 30 31 31 32 32 32 32 32 32

Simulation Runs

70

2 2 5 5 5 5 6 6 7 7 10 11 26 31 32 40 40 40 40 42 43 43 43 43 43 43 43 43 43 43 45 45 45 45 45 45 45 45 45 46 50 50 53 53 53 53 55 55 55 55 55 55 56 58 58 59 59 60 60 60 60 60 60 60 60 61 61 61 63 63 63 63 63 63 63 63 63 63 64 64 64 64 64 64 67 68 68 68 68 68 68 68 68 69 69 70 70 70 70 70 70
Overview
Average Total
Wall Clock Time 10.4 minutes 5.72 hours
CPU time 0.48 seconds 15.77 seconds
Interaction Time 2.63 minutes 1.45 hours