Chemical-Mechanical Modeling of Subcritical-to-Critical Fracture in Geomaterials
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Geochemistry Dept.
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Mechanics of Materials Dept.
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Nuclear Waste Disposal Research & Analysis Dept.
- Pennsylvania State Univ., University Park, PA (United States)
Predicting chemical-mechanical fracture initiation and propagation in materials is a critical problem, with broad relevance to a host of geoscience applications including subsurface storage and waste disposal, geothermal energy development, and oil and gas extraction. In this project, we have developed molecular simulation and coarse- graining techniques to obtain an atomistic-level understanding of the chemical- mechanical mechanisms that control subcritical crack propagation in materials under tension and impact the fracture toughness. We have applied these techniques to the fracture of fused quartz in vacuum, in distilled water, and in two salt solutions - 1M NaC1, 1M NaOH - that form relatively acidic and basic solutions respectively. We have also established the capability to conduct double-compression double-cleavage experiments in an environmental chamber to observe material fracture in aqueous solution. Both simulations and experiments indicate that fractures propagate fastest in NaC1 solutions, slower in distilled water, and even slower in air.
- Research Organization:
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Sandia National Lab. (SNL-CA), Livermore, CA (United States)
- Sponsoring Organization:
- USDOE National Nuclear Security Administration (NNSA)
- DOE Contract Number:
- AC04-94AL85000; NA0003525
- OSTI ID:
- 1481559
- Report Number(s):
- SAND-2018-12313; 669098
- Country of Publication:
- United States
- Language:
- English
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