Atomic-scale interaction of a crack and an infiltrating fluid

doi:10.1016/j.cpletx.2018.100005

Title: Atomic-scale interaction of a crack and an infiltrating fluid

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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:

Jones, R. E. ^[1]; Tucker, W. C. ^[1]; Rimsza, J. M. ^[2]; Criscenti, L. J. ^[2]

Sandia National Lab. (SNL-CA), Livermore, CA (United States)
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Publication Date:: 2018-12-21

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.

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                    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.

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                    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.

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@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}

}

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