Molecular dynamics simulation of the shock response of materials: A tutorial
The aim of this Tutorial is to help new researchers understand how to perform molecular
dynamics (MD) simulations of the shock response of materials and to provide a brief …
dynamics (MD) simulations of the shock response of materials and to provide a brief …
Molecular Dynamics Investigation of Shock-Induced Deformation Behavior and Failure Mechanism in Metallic Materials
Shock waves are generated under high-speed impact conditions, creating extreme
environments that are difficult to be simulated. Molecular dynamics (MD), as a vital tool for …
environments that are difficult to be simulated. Molecular dynamics (MD), as a vital tool for …
Investigation of dynamic impact responses of layered polymer-graphene nanocomposite films using coarse-grained molecular dynamics simulations
Polymer nanocomposite films have recently shown superior energy dissipation capability by
using the micro-projectile impact testing method. However, how stress waves interact with …
using the micro-projectile impact testing method. However, how stress waves interact with …
Investigating the molecular origins of deformation in polyurea
This paper discusses some of the fundamental mechanisms of atomic-scale deformation
associated with inter and intramolecular bond forces under applied loads in polyurea …
associated with inter and intramolecular bond forces under applied loads in polyurea …
Atomic insights into shock-induced spalling of polyurea by molecular dynamics simulation
K Yao, Z Liu, Z Zhuang - Extreme Mechanics Letters, 2022 - Elsevier
Some block-copolymer elastomers are regarded as competitors to metal for lightweight
impact protection design. However, the microscopic spalling mechanism of polymer is still …
impact protection design. However, the microscopic spalling mechanism of polymer is still …
Quantum and classical molecular dynamics simulations of shocked polyurea and polyurethane
MAN Dewapriya, RE Miller - Computational Materials Science, 2022 - Elsevier
We conducted density functional theory based quantum molecular dynamics (QMD) and
force field based classical molecular dynamics (CMD) simulations to compute the shock …
force field based classical molecular dynamics (CMD) simulations to compute the shock …
Molecular dynamics study on the shock induced spallation of polyethylene
MAN Dewapriya, RE Miller - Journal of Applied Physics, 2022 - pubs.aip.org
Macroscopic experimental results of the plate impact tests of polymers are generally
interpreted using the free surface approximation and the acoustic approximation. However …
interpreted using the free surface approximation and the acoustic approximation. However …
Strain rate effects on the axial tensile behavior of crystalline polyethylene: Insights from molecular dynamics simulations
During a transverse impact, ultra-high molecular weight polyethylene fibers within the
laminates experience axial tension over a range of high strain rate loading. We employed …
laminates experience axial tension over a range of high strain rate loading. We employed …
Shock compression of semiflexible polymers
DA Vega, P Lance, E Zorzi, RA Register, LR Gómez - Soft matter, 2023 - pubs.rsc.org
We employ molecular dynamics simulations to investigate the shock compression of linear
semiflexible polymers. While the propagation velocity of a shock primarily depends on …
semiflexible polymers. While the propagation velocity of a shock primarily depends on …
Atomic Insight into Multilevel Microstructure Evolution and Energy Variation Mechanisms of Polyimide under Shock Compression
Polyimide (PI) stands as a foundational material in the aerospace industry and high-energy-
density science, and its shock response under extreme conditions constitutes an increasing …
density science, and its shock response under extreme conditions constitutes an increasing …