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Title: Challenges to model the role of heterogeneities on the shock response and spall failure of metallic materials at the mesoscales

Abstract

The predictive modeling of the experimentally researched behavior of metallic materials under shock loading conditions (wave structures, spall strengths) is a critical challenge towards the design of next-generation structural materials. This concern is due to the lack of computational methods that can predict microstructural evolution at the mesoscales under dynamic loading conditions. While classical molecular dynamics simulations have been able to provide atomic-scale insights in the defect and damage nucleation/evolution mechanisms, the capability to have a direct comparison with experimental data at the same time and length scales is still a challenge. The current computational approaches require that several approximations be made either for the loading conditions or for the micromechanisms related to defect evolution and interaction at the mesoscales. This viewpoint discusses the insights obtained from molecular dynamics simulations of shock deformation and spall failure of heterogeneous metallic microstructures. An example Al-Ni microstructure is used to identify the critical atomic-scale phenomena that need to be addressed by the mesoscale methods when considering shock deformation and failure (spallation) at the mesoscales.

Authors:
ORCiD logo [1]
  1. Univ. of Connecticut, Storrs, CT (United States)
Publication Date:
Research Org.:
Univ. of Connecticut, Storrs, CT (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1631116
Grant/Contract Number:  
NA0003857
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Materials Science
Additional Journal Information:
Journal Volume: 55; Journal Issue: 8; Journal ID: ISSN 0022-2461
Publisher:
Springer
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Shock deformation; spall; molecular dynamics; mesoscale

Citation Formats

Dongare, Avinash M. Challenges to model the role of heterogeneities on the shock response and spall failure of metallic materials at the mesoscales. United States: N. p., 2019. Web. https://doi.org/10.1007/s10853-019-04260-7.
Dongare, Avinash M. Challenges to model the role of heterogeneities on the shock response and spall failure of metallic materials at the mesoscales. United States. https://doi.org/10.1007/s10853-019-04260-7
Dongare, Avinash M. Thu . "Challenges to model the role of heterogeneities on the shock response and spall failure of metallic materials at the mesoscales". United States. https://doi.org/10.1007/s10853-019-04260-7. https://www.osti.gov/servlets/purl/1631116.
@article{osti_1631116,
title = {Challenges to model the role of heterogeneities on the shock response and spall failure of metallic materials at the mesoscales},
author = {Dongare, Avinash M.},
abstractNote = {The predictive modeling of the experimentally researched behavior of metallic materials under shock loading conditions (wave structures, spall strengths) is a critical challenge towards the design of next-generation structural materials. This concern is due to the lack of computational methods that can predict microstructural evolution at the mesoscales under dynamic loading conditions. While classical molecular dynamics simulations have been able to provide atomic-scale insights in the defect and damage nucleation/evolution mechanisms, the capability to have a direct comparison with experimental data at the same time and length scales is still a challenge. The current computational approaches require that several approximations be made either for the loading conditions or for the micromechanisms related to defect evolution and interaction at the mesoscales. This viewpoint discusses the insights obtained from molecular dynamics simulations of shock deformation and spall failure of heterogeneous metallic microstructures. An example Al-Ni microstructure is used to identify the critical atomic-scale phenomena that need to be addressed by the mesoscale methods when considering shock deformation and failure (spallation) at the mesoscales.},
doi = {10.1007/s10853-019-04260-7},
journal = {Journal of Materials Science},
number = 8,
volume = 55,
place = {United States},
year = {2019},
month = {12}
}

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