4.5 Article

Understanding the plasticity contributions during laser-shock loading and spall failure of Cu microstructures at the atomic scales

Journal

COMPUTATIONAL MATERIALS SCIENCE
Volume 198, Issue -, Pages -

Publisher

ELSEVIER
DOI: 10.1016/j.commatsci.2021.110668

Keywords

Laser-shock; Molecular dynamics; Virtual diffraction; Plasticity; Spall

Funding

  1. Department of Energy-National Nuclear Security Administration (DOE-NNSA) , Stewardship Science Academic Program [DE-NA0003857]
  2. Center for Integrated Nanotechnologies (CINT), an Office of Science user facility [2019BU0142]
  3. U.S. Department of Energy National Nuclear Security Administration [DE-NA0003525]

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A hybrid atomic-scale and continuum-modeling framework was used to study the microstructural evolution during laser-induced shock deformation and failure of copper microstructures. The study focused on the effects of laser-loading conditions on the microstructure evolution during different stages of shock wave propagation in single-crystal Cu systems, as well as compared the defect evolution and spall response in single-crystal Cu and nanocrystalline Cu systems.
A hybrid atomic-scale and continuum-modeling framework is used to study the microstructural evolution during the laser-induced shock deformation and failure (spallation) of copper microstructures. A continuum twotemperature model (TTM) is used to account for the interaction of Cu atoms with a laser in molecular dynamics (MD) simulations. The MD-TTM simulations study the effect of laser-loading conditions (laser fluence) on the microstructure (defects) evolution during various stages of shock wave propagation, reflection, and interaction in single-crystal (sc) Cu systems. In addition, the role of the microstructure is investigated by comparing the defect evolution and spall response of sc-Cu and nanocrystalline Cu systems. The defect (stacking faults and twin faults) evolution behavior in the metal at various times is further characterized using virtual in situ selected area electron diffraction and x-ray diffraction during various stages of evolution of microstructure. The simulations elucidate the uncertain relation between spall strength and strain-rate and the much stronger relation between the spall strength and the temperatures generated due to laser shock loading for the small Cu sample dimensions considered here.

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