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Title: Deformation in amorphous–crystalline nanolaminates—an effective-temperature theory and interaction between defects

Experiments and atomic-scale simulations suggest that the transmission of plasticity carriers in deforming amorphous–crystalline nanolaminates is mediated by the biphase interface between the amorphous and crystalline layers. In this study, we present a micromechanics model for these biphase nanolaminates that describes defect interactions through the amorphous–crystalline interface (ACI). The model is based on an effective-temperature framework to achieve a unified description of the slow, configurational atomic rearrangements in both phases when driven out of equilibrium. We show how the second law of thermodynamics constrains the density of defects and the rate of configurational rearrangements, and apply this framework to dislocations in crystalline solids and shear transformation zones (STZs) in amorphous materials. The effective-temperature formulation enables us to interpret the observed movement of dislocations to the ACI and the production of STZs at the interface as a 'diffusion' of configurational disorder across the material. Finally, we demonstrate favorable agreement with experimental findings reported in (Kim et al 2011 Adv. Funct. Mater. 21 4550–4), and demonstrate how the ACI acts as a sink of dislocations and a source of STZs.
Authors:
ORCiD logo [1] ;  [1] ;  [2]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Univ. of California, Santa Barbara, CA (United States). Mechanical Engineering and Materials Dept.
Publication Date:
Report Number(s):
LA-UR-17-20212
Journal ID: ISSN 0965-0393
Grant/Contract Number:
AC52-06NA25396; 20150696ECR
Type:
Accepted Manuscript
Journal Name:
Modelling and Simulation in Materials Science and Engineering
Additional Journal Information:
Journal Volume: 25; Journal Issue: 3; Journal ID: ISSN 0965-0393
Publisher:
IOP Publishing
Research Org:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org:
USDOE Laboratory Directed Research and Development (LDRD) Program
Contributing Orgs:
Univ. of California, Santa Barbara, CA (United States)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Material Science
OSTI Identifier:
1357129

Lieou, Charles K. C., Mayeur, Jason R., and Beyerlein, Irene J.. Deformation in amorphous–crystalline nanolaminates—an effective-temperature theory and interaction between defects. United States: N. p., Web. doi:10.1088/1361-651X/aa62b1.
Lieou, Charles K. C., Mayeur, Jason R., & Beyerlein, Irene J.. Deformation in amorphous–crystalline nanolaminates—an effective-temperature theory and interaction between defects. United States. doi:10.1088/1361-651X/aa62b1.
Lieou, Charles K. C., Mayeur, Jason R., and Beyerlein, Irene J.. 2017. "Deformation in amorphous–crystalline nanolaminates—an effective-temperature theory and interaction between defects". United States. doi:10.1088/1361-651X/aa62b1. https://www.osti.gov/servlets/purl/1357129.
@article{osti_1357129,
title = {Deformation in amorphous–crystalline nanolaminates—an effective-temperature theory and interaction between defects},
author = {Lieou, Charles K. C. and Mayeur, Jason R. and Beyerlein, Irene J.},
abstractNote = {Experiments and atomic-scale simulations suggest that the transmission of plasticity carriers in deforming amorphous–crystalline nanolaminates is mediated by the biphase interface between the amorphous and crystalline layers. In this study, we present a micromechanics model for these biphase nanolaminates that describes defect interactions through the amorphous–crystalline interface (ACI). The model is based on an effective-temperature framework to achieve a unified description of the slow, configurational atomic rearrangements in both phases when driven out of equilibrium. We show how the second law of thermodynamics constrains the density of defects and the rate of configurational rearrangements, and apply this framework to dislocations in crystalline solids and shear transformation zones (STZs) in amorphous materials. The effective-temperature formulation enables us to interpret the observed movement of dislocations to the ACI and the production of STZs at the interface as a 'diffusion' of configurational disorder across the material. Finally, we demonstrate favorable agreement with experimental findings reported in (Kim et al 2011 Adv. Funct. Mater. 21 4550–4), and demonstrate how the ACI acts as a sink of dislocations and a source of STZs.},
doi = {10.1088/1361-651X/aa62b1},
journal = {Modelling and Simulation in Materials Science and Engineering},
number = 3,
volume = 25,
place = {United States},
year = {2017},
month = {2}
}