Spectral phonon relaxation time calculation tool by using normal mode analysis based on molecular dynamics

By Tianli Feng1; Divya Chalise2; Xiulin Ruan1

1. Purdue University 2. University of Texas at Arlington

Calculate the spectral phonon relaxation time in solids based on molecular dynamics.

Launch Tool

You must login before you can run this tool.

Version 1.2.1 - published on 31 Oct 2017

doi:10.4231/D38W38457 cite this

Open source: license | download

View All Supporting Documents

Usage

World usage

Location of all "Spectral phonon relaxation time calculation tool by using normal mode analysis based on molecular dynamics" Users Since Its Posting

Cumulative Simulation Users

284

4 8 10 15 19 21 24 28 30 31 32 38 41 43 46 49 53 54 64 69 73 77 84 92 94 96 101 110 113 114 116 120 124 130 132 137 140 144 148 153 154 157 159 159 166 168 172 174 176 178 182 184 189 192 194 196 201 203 205 210 215 218 219 222 224 225 227 227 227 229 232 233 235 235 236 239 240 241 241 243 244 248 248 249 250 254 254 256 259 259 259 259 260 260 263 266 270 270 273 276 277 278 280 282 282 283 284

Simulation Runs

3,851

9 22 32 152 198 208 222 235 269 302 324 369 509 617 696 710 738 772 1032 1106 1144 1192 1244 1288 1309 1353 1402 1470 1501 1496 1524 1550 1580 1626 1728 1801 1886 1904 1965 2009 2016 2037 2050 2054 2225 2276 2297 2302 2324 2329 2337 2344 2359 2390 2451 2472 2509 2528 2538 2674 2701 2725 2736 2749 2776 2790 2795 2825 2828 2833 2842 2852 2861 2861 2872 2889 2895 2974 3024 3113 3238 3293 3309 3457 3572 3647 3649 3658 3666 3669 3669 3672 3680 3680 3697 3705 3773 3801 3806 3811 3820 3826 3828 3836 3839 3845 3851
Overview
Average Total
Wall Clock Time 14.21 hours 1116.43 days
CPU time 11.6 hours 911.81 days
Interaction Time 6.11 hours 480.35 days