Different bonding type along each crystallographic axis: Computational study of poly( p -phenylene terephthalamide)-Reference-Cited by-同舟云学术

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Different bonding type along each crystallographic axis: Computational study of poly( p -phenylene terephthalamide)

Published:2020-05-04 Issue:5 Volume:4 Page:
ISSN:2475-9953
Container-title:Physical Review Materials
language:en
Short-container-title:Phys. Rev. Materials

Author:

Yu Jie^ORCID,Fiorin Giacomo,Peng Haowei,Klein Michael L.,Perdew John P.

Funder

Army Research Laboratory

U.S. Department of Energy

Basic Energy Sciences

National Science Foundation

Publisher

American Physical Society (APS)

Subject

Physics and Astronomy (miscellaneous),General Materials Science

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevMaterials.4.055601/fulltext

Reference63 articles.

1. Rigid-rod polymeric fibers

2. Relationship between structure and mechanical properties for aramid fibres

3. On the crystal and molecular structure of poly-(p-phenylene terephthalamide)

4. Mechanical Properties of Kevlar® KM2 Single Fiber

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1. Density functional theory study of physisorption of ionic liquid pairs on hydroxylated and oxygen terminated α-SiO2 (001) surfaces;AIP Advances;2024-09-01

2. Understanding Strain and Failure of a Knot in Polyethylene Using Molecular Dynamics with Machine-Learned Potentials;The Journal of Physical Chemistry Letters;2024-08-28

3. The Mechanical Anisotropy and Failure Mechanism of Poly(p-phenylene terephthalamide) Using Machine Learning Molecular Dynamics Simulations;Macromolecules;2024-08-01

4. Exploring mechanical properties and failure mechanisms of aramid and PBO crystals through molecular dynamics simulations;The Journal of Chemical Physics;2023-12-08

5. A reactive molecular dynamics simulation of the atomic oxygen impact on poly(p-phenylene-terephthalamide);Computational Materials Science;2023-09

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