Atomic-scale interaction of a crack and an infiltrating fluid
Abstract
In this work we investigate the Orowan hypothesis, that decreases in surface energy due to surface adsorbates lead directly to lowered fracture toughness, at an atomic/molecular level. We employ a Lennard-Jones system with a slit crack and an infiltrating fluid, nominally with gold-water properties, and explore steric effects by varying the soft radius of fluid particles and the influence of surface energy/hydrophobicity via the solid–fluid binding energy. Using previously developed methods, we employ the J-integral to quantify the sensitivity of fracture toughness to the influence of the fluid on the crack tip, and exploit dimensionless scaling to discover universal trends in behavior.
- Authors:
- Publication Date:
- Research Org.:
- Sandia National Lab. (SNL-CA), Livermore, CA (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA); SNL Laboratory Directed Research and Development (LDRD) Program
- OSTI Identifier:
- 1531032
- Alternate Identifier(s):
- OSTI ID: 1502971
- Report Number(s):
- SAND-2019-2907J
Journal ID: ISSN 2590-1419; S2590141918300059; 100005; PII: S2590141918300059
- Grant/Contract Number:
- NA-0003525; NA0003525
- Resource Type:
- Published Article
- Journal Name:
- Chemical Physics Letters: X
- Additional Journal Information:
- Journal Name: Chemical Physics Letters: X Journal Volume: 1 Journal Issue: C; Journal ID: ISSN 2590-1419
- Publisher:
- Elsevier
- Country of Publication:
- Netherlands
- Language:
- English
- Subject:
- 74 ATOMIC AND MOLECULAR PHYSICS
Citation Formats
Jones, R. E., Tucker, W. C., Rimsza, J. M., and Criscenti, L. J. Atomic-scale interaction of a crack and an infiltrating fluid. Netherlands: N. p., 2019.
Web. doi:10.1016/j.cpletx.2018.100005.
Jones, R. E., Tucker, W. C., Rimsza, J. M., & Criscenti, L. J. Atomic-scale interaction of a crack and an infiltrating fluid. Netherlands. doi:https://doi.org/10.1016/j.cpletx.2018.100005
Jones, R. E., Tucker, W. C., Rimsza, J. M., and Criscenti, L. J. Tue .
"Atomic-scale interaction of a crack and an infiltrating fluid". Netherlands. doi:https://doi.org/10.1016/j.cpletx.2018.100005.
@article{osti_1531032,
title = {Atomic-scale interaction of a crack and an infiltrating fluid},
author = {Jones, R. E. and Tucker, W. C. and Rimsza, J. M. and Criscenti, L. J.},
abstractNote = {In this work we investigate the Orowan hypothesis, that decreases in surface energy due to surface adsorbates lead directly to lowered fracture toughness, at an atomic/molecular level. We employ a Lennard-Jones system with a slit crack and an infiltrating fluid, nominally with gold-water properties, and explore steric effects by varying the soft radius of fluid particles and the influence of surface energy/hydrophobicity via the solid–fluid binding energy. Using previously developed methods, we employ the J-integral to quantify the sensitivity of fracture toughness to the influence of the fluid on the crack tip, and exploit dimensionless scaling to discover universal trends in behavior.},
doi = {10.1016/j.cpletx.2018.100005},
journal = {Chemical Physics Letters: X},
number = C,
volume = 1,
place = {Netherlands},
year = {2019},
month = {1}
}
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DOI: https://doi.org/10.1016/j.cpletx.2018.100005
DOI: https://doi.org/10.1016/j.cpletx.2018.100005
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