Axial-Compressive Behavior, Including Kink-Band Formation and Propagation, of Single p-Phenylene Terephthalamide (PPTA) Fibers

Table 1

Coarse-grained PPTA force-field parameterization used in the present work. Please see (1)–(4) for explanation of the symbols.

Parameter	Unit	Value
𝐾^stretch	kJ/mol⋅nm^2	6831.1
𝑟^stretch𝑜	nm	1.31
𝐾^angle	kJ/mol⋅rad^2	9,752
𝜃^angle𝑜	rad	π
𝜀^hydrogen	kJ/mol	22.3
𝑟^hydrogen𝑜	nm	1.39
𝜀^non-bond	kJ/mol	11.1
𝑟^non-bond𝑜	nm	1.52