Glass transition temperature notebook

By Benjamin P Haley1, Lorena Alzate-Vargas1

1. Purdue University

Calculate the glass transition temperature of an atomistic, amorphous system by running MD simulations in a notebook

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Version 1.3.2 - published on 10 Jul 2019

doi:10.21981/Y4G9-KQ47 cite this

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Usage

World usage

Location of all "Glass transition temperature notebook" Users Since Its Posting

Cumulative Simulation Users

233

6 18 22 24 30 37 44 50 53 54 57 58 59 62 63 68 70 70 74 77 78 83 87 90 93 97 102 112 114 116 121 122 125 131 137 145 150 155 161 163 164 166 169 172 173 177 181 182 185 192 194 196 199 203 204 208 210 212 212 217 220 223 226 228 231 231 232 233 233

Users By Organization Type
Type Users
Unidentified 198 (84.98%)
Educational - University 33 (14.16%)
Unemployed 1 (0.43%)
National Lab 1 (0.43%)
Users by Country of Residence
Country Users
us UNITED STATES 24 (70.59%)
in INDIA 2 (5.88%)
gb UNITED KINGDOM 1 (2.94%)
co COLOMBIA 1 (2.94%)
vn VIET NAM 1 (2.94%)
gr GREECE 1 (2.94%)
pe PERU 1 (2.94%)
tr TURKEY 1 (2.94%)
cn CHINA 1 (2.94%)
dz ALGERIA 1 (2.94%)

Simulation Runs

1,571

32 96 113 119 163 247 296 331 360 370 402 486 504 510 648 718 730 760 786 804 808 818 838 851 857 872 932 974 995 1012 1048 1065 1074 1092 1110 1148 1165 1179 1201 1210 1216 1235 1241 1247 1251 1268 1280 1282 1300 1326 1339 1347 1361 1389 1398 1414 1425 1439 1447 1465 1510 1517 1528 1532 1542 1553 1555 1567 1571
Overview
Average Total
Wall Clock Time 6.64 hours 176.58 days
CPU time 3.58 hours 95.15 days
Interaction Time 2.74 hours 72.74 days