skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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:
 [1];  [1];  [2];  [2]
  1. Sandia National Lab. (SNL-CA), Livermore, CA (United States)
  2. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
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; 673468
Grant/Contract Number:  
NA0003525; NA-0003525
Resource Type:
Published Article
Journal Name:
Chemical Physics Letters: X
Additional Journal Information:
Journal Volume: 1; Journal ID: ISSN 2590-1419
Publisher:
Elsevier
Country of Publication:
United States
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. United States: N. p., 2018. 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. United States. doi:10.1016/j.cpletx.2018.100005.
Jones, R. E., Tucker, W. C., Rimsza, J. M., and Criscenti, L. J. Fri . "Atomic-scale interaction of a crack and an infiltrating fluid". United States. doi: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 = ,
volume = 1,
place = {United States},
year = {2018},
month = {12}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1016/j.cpletx.2018.100005

Save / Share: