Search

After a brief review of atomistic theories of defect dynamics in solids, a summary of Slepyan's first computation of dynamic fracture in a lattice is presented. Some of the main extensions and clarifi- cations of the original physical picture are then summarized. Many molecular dynamics simulations of fracture would benefit if Slepyan's work were better known. This article is part of the theme issue 'Modelling of dynamic phenomena and localization in structured media (part 1)'. [ABSTRACT FROM AUTHOR]

Fracture pattern development has been a challenging area of research in the Earth sciences for more than 100 years. Much has been learned about the spatial and temporal complexity inherent to these systems, but severe challenges remain. Future advances will require new approaches. Chemical processes play a larger role in opening‐mode fracture pattern development than has hitherto been appreciated. This review examines relationships between mechanical and geochemical processes that influence the fracture patterns recorded in natural settings. For fractures formed in diagenetic settings (~50 to 200 °C), we review evidence of chemical reactions in fractures and show how a chemical perspective helps solve problems in fracture analysis. We also outline impediments to subsurface pattern measurement and interpretation, assess implications of discoveries in fracture history reconstruction for process‐based models, review models of fracture cementation and chemically assisted fracture growth, and discuss promising paths for future work. To accurately predict the mechanical and fluid flow properties of fracture systems, a processes‐based approach is needed. Progress is possible using observational, experimental, and modeling approaches that view fracture patterns and properties as the result of coupled mechanical and chemical processes. A critical area is reconstructing patterns through time. Such data sets are essential for developing and testing predictive models. Other topics that need work include models of crystal growth and dissolution rates under geological conditions, cement mechanical effects, and subcritical crack propagation. Advances in machine learning and 3‐D imaging present opportunities for a mechanistic understanding of fracture formation and development, enabling prediction of spatial and temporal complexity over geologic timescales. Geophysical research with a chemical perspective is needed to correctly identify and interpret fractures from geophysical measurements during site characterization and monitoring of subsurface engineering activities. Plain Language Summary: Fracture patterns in rock strongly affect directions, magnitudes, and heterogeneities of both fluid flow and rock strength. Accurate and testable predictions of patterns are essential for understanding many societally important processes in the Earth and for effectively managing subsurface engineering operations. Chemical processes play a larger role in opening‐mode fracture pattern development than has hitherto been appreciated. For fractures formed at depths of ~1–10 km and temperatures of 50–200 °C, new evidence shows chemical reactions are common and more diverse than previously recognized. We describe how viewing fracture formation and evolution from a chemical perspective helps to solve problems in fracture pattern analysis. We outline the main impediments to subsurface fracture pattern measurement and interpretation, assess implications of recent discoveries in fracture history reconstruction for process‐based models of fracture and cement accumulation, review models of fracture cementation and chemically assisted fracture growth, and discuss promising paths for future work. Potential exists for basic scientific investigations to lead to progress on what has been one of the most refractory practical problems in subsurface science. Results suggest that progress in fracture interpretation and prediction can be made using observational, experimental, modeling, and theoretical approaches that view fracture patterns as the result of coupled mechanical and chemical processes. Key Points: A chemical perspective helps solve challenges to understanding subsurface fractures: inadequate samples, ambiguous analogs, and difficulties determining which models are correct from observationsMany tools of chemical analysis, experiment, modeling, and theory have yet to be brought to bear on understanding how fracture patterns develop at geological timescalesChemical and mechanical investigations together have great potential to solve challenging practical problems in subsurface science [ABSTRACT FROM AUTHOR]

This article reviews particle methods in the study of fracture. It focuses on the exact solution of dynamic cracks in an ideal brittle solid. Topics that arise include Cherenkov radiation of phonons, how calculations in a strip let one connect continuum fracture mechanics to atomic solutions, and the use of Wiener-Hopf techniques for analytical results. Then the article discusses molecular dynamics solutions, focusing on how to set them up making use of insights from the exactly solvable models. The particular case of silicon is discussed in detail. Finally there is a brief discussion of mesoscopic particle models. [ABSTRACT FROM AUTHOR]

We examine the fracture mechanics of tearing graphene. We present a molecular dynamics simulation of the propagation of cracks in clamped, free-standing graphene as a function of the out-of-plane force. The geometry is motivated by experimental configurations that expose graphene sheets to out-of-plane forces, such as back-gate voltage. We establish the geometry and basic energetics of failure and obtain approximate analytical expressions for critical crack lengths and forces. We also propose a method to obtain graphene's toughness. We observe that the cracks' path and the edge structure produced are dependent on the initial crack length. This work may help avoid the tearing of graphene sheets and aid the production of samples with specific edge structures. [ABSTRACT FROM AUTHOR]

We have studied cracks traveling along weak interfaces. We model them using harmonic and anharmonic forces between particles in a lattice, both in tension (Mode I) and antiplane shear (Mode III). One of our main objects has been to determine when supersonic cracks traveling faster than the shear wave speed can occur. In contrast to subsonic cracks, the speed of supersonic cracks is best expressed as a function of strain, not stress intensity factor. Nevertheless, we find that supersonic cracks are more common than has previously been realized. They occur both in Mode I and Mode III, with or without anharmonic changes of interparticle forces prior to breaking, and with or without dissipation. The extent and shape of the supersonic branch of solutions depends strongly on details such as lattice geometry, force law anharmonicity, and amount of dissipation. Particle forces that stiffen prior to breaking lead to larger supersonic branches. Increasing dissipation also tends to promote the existence of supersonic states. We include a number of other results, including analytical expressions for crack speeds in the high-strain limit, and numerical results for the spatial extent of regions where particles interact anharmonically. Finally, we note a curious phenomenon, where for forces that weaken with increasing strain, cracks can slow down when one pulls on them harder. [ABSTRACT FROM AUTHOR]

This article aims to answer two related sets of questions. First:in principle, how large an effect can structure at the atomic scale have upon the fracture of two macroscopically identical samples?The answer to this question is that the effects can be very large. Perfectly sharp cracks can be pinned and stationary under loading conditions that put them far beyond the Griffith point. Crack paths need not obey the ruleKII=0. Crack speeds can vary from zero to the Rayleigh wave speed under identical loading conditions but depending upon microscopic rules. These conclusions are obtained from simple solvable models, and from techniques that make it possible to extrapolate reliably from small numerical calculations to the macroscopic limit. These techniques are described in some detail. Second:in practice, should any of these effects be visible in real laboratory samples?The answer to this second question is less clear. The qualitative phenomena exhibited by simple models are observed routinely in the fracture of brittle crystals. However, the correspondence between computations in perfect two-dimensional numerical samples at zero temperature and imperfect three-dimensional laboratory specimens at nonzero temperature is not simple. This paper reports on computations involving nonzero temperature, and irregular crack motion that indicate both strengths and weaknesses of two-dimensional microscopic modeling. [ABSTRACT FROM AUTHOR]

We present the full analytical solution for steady-state in-plane crack motion in a brittle triangular lattice. This allows quick numerical evaluation of solutions for very large systems, facilitating comparisons with continuum fracture theory. Cracks that propagate faster than the Rayleigh wave speed have been thought to be forbidden in the continuum theory, but clearly exist in lattice systems. Using our analytical methods, we examine in detail the motion of atoms around a crack tip as crack speed changes from subsonic to supersonic. Subsonic cracks feature displacement fields consistent with a stress intensity factor. For supersonic cracks, the stress intensity factor disappears. Subsonic cracks are characterized by small-amplitude, high-frequency oscillations in the vertical displacement of an atom along the crack line, while supersonic cracks have large-amplitude, low-frequency oscillations. Thus, while supersonic cracks are no less physical than subsonic cracks, the connection between microscopic and macroscopic behaviour must be made in a different way. This is one reason supersonic cracks in tension had been thought not to exist. [ABSTRACT FROM AUTHOR]