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Title: Understanding the mechanisms of amorphous creep through molecular simulation

Abstract

Molecular processes of creep in metallic glass thin films are simulated at experimental timescales using a metadynamics-based atomistic method. Space–time evolutions of the atomic strains and nonaffine atom displacements are analyzed to reveal details of the atomic-level deformation and flow processes of amorphous creep in response to stress and thermal activations. From the simulation results, resolved spatially on the nanoscale and temporally over time increments of fractions of a second, we derive a mechanistic explanation of the well-known variation of creep rate with stress. We also construct a deformation map delineating the predominant regimes of diffusional creep at low stress and high temperature and deformational creep at high stress. Our findings validate the relevance of two original models of the mechanisms of amorphous plasticity: one focusing on atomic diffusion via free volume and the other focusing on stress-induced shear deformation. These processes are found to be nonlinearly coupled through dynamically heterogeneous fluctuations that characterize the slow dynamics of systems out of equilibrium.

Authors:
; ;
Publication Date:
Research Org.:
Texas A & M Univ., College Station, TX (United States). Texas A & M Engineering Experiment Station; Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Sponsoring Org.:
USDOE Office of Nuclear Energy (NE); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1412950
Alternate Identifier(s):
OSTI ID: 1540264
Grant/Contract Number:  
NE0008450; SC0002633
Resource Type:
Published Article
Journal Name:
Proceedings of the National Academy of Sciences of the United States of America
Additional Journal Information:
Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 114 Journal Issue: 52; Journal ID: ISSN 0027-8424
Publisher:
Proceedings of the National Academy of Sciences
Country of Publication:
United States
Language:
English
Subject:
42 ENGINEERING; creep; molecular simulation; deformation mechanism; atomistic modeling; metallic glass

Citation Formats

Cao, Penghui, Short, Michael P., and Yip, Sidney. Understanding the mechanisms of amorphous creep through molecular simulation. United States: N. p., 2017. Web. doi:10.1073/pnas.1708618114.
Cao, Penghui, Short, Michael P., & Yip, Sidney. Understanding the mechanisms of amorphous creep through molecular simulation. United States. doi:10.1073/pnas.1708618114.
Cao, Penghui, Short, Michael P., and Yip, Sidney. Mon . "Understanding the mechanisms of amorphous creep through molecular simulation". United States. doi:10.1073/pnas.1708618114.
@article{osti_1412950,
title = {Understanding the mechanisms of amorphous creep through molecular simulation},
author = {Cao, Penghui and Short, Michael P. and Yip, Sidney},
abstractNote = {Molecular processes of creep in metallic glass thin films are simulated at experimental timescales using a metadynamics-based atomistic method. Space–time evolutions of the atomic strains and nonaffine atom displacements are analyzed to reveal details of the atomic-level deformation and flow processes of amorphous creep in response to stress and thermal activations. From the simulation results, resolved spatially on the nanoscale and temporally over time increments of fractions of a second, we derive a mechanistic explanation of the well-known variation of creep rate with stress. We also construct a deformation map delineating the predominant regimes of diffusional creep at low stress and high temperature and deformational creep at high stress. Our findings validate the relevance of two original models of the mechanisms of amorphous plasticity: one focusing on atomic diffusion via free volume and the other focusing on stress-induced shear deformation. These processes are found to be nonlinearly coupled through dynamically heterogeneous fluctuations that characterize the slow dynamics of systems out of equilibrium.},
doi = {10.1073/pnas.1708618114},
journal = {Proceedings of the National Academy of Sciences of the United States of America},
number = 52,
volume = 114,
place = {United States},
year = {2017},
month = {12}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1073/pnas.1708618114

Citation Metrics:
Cited by: 6 works
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