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

155

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 97 102 112 114 116 121 122 125 131 137 145 150 155 155

Users By Organization Type
Type Users
Unidentified 124 (80%)
Educational - University 30 (19.35%)
Unemployed 1 (0.65%)
Users by Country of Residence
Country Users
us UNITED STATES 22 (70.97%)
cn CHINA 1 (3.23%)
dz ALGERIA 1 (3.23%)
in INDIA 1 (3.23%)
ru RUSSIAN FEDERATION 1 (3.23%)
gb UNITED KINGDOM 1 (3.23%)
co COLOMBIA 1 (3.23%)
gr GREECE 1 (3.23%)
pe PERU 1 (3.23%)
tr TURKEY 1 (3.23%)

Simulation Runs

1,179

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 1179
Overview
Average Total
Wall Clock Time 4.96 hours 94.69 days
CPU time 3.08 hours 58.85 days
Interaction Time 1.77 hours 33.7 days