Accurate predictions of thermoset resin glass transition temperatures from all-atom molecular dynamics simulation

Autor: Gregory M. Odegard, Sagar U. Patil, Prashik S. Gaikwad, Prathamesh Deshpande, Aaron S. Krieg, Sagar P. Shah, Aspen Reyes, Tarik Dickens, Julia A. King, Marianna Maiaru
Rok vydání: 2022
Předmět:
Zdroj: Soft Matter. 18:7550-7558
ISSN: 1744-6848
1744-683X
DOI: 10.1039/d2sm00851c
Popis: To enable the design and development of the next generation of high-performance composite materials, there is a need to establish improved computational simulation protocols for accurate and efficient prediction of physical, mechanical, and thermal properties of thermoset resins. This is especially true for the prediction of glass transition temperature (
Databáze: OpenAIRE