Subscribe to the gold package and get unlimited access to Shamra Academy
Register a new userA stochastic framework for atomistic fracture
67
0
0.0
(
0
)
Ask ChatGPT about the research
No Arabic abstract
We present a stochastic modeling framework for atomistic propagation of a Mode I surface crack, with atoms interacting according to the Lennard-Jones interatomic potential at zero temperature. Specifically, we invoke the Cauchy-Born rule and the maximum entropy principle to infer probability distributions for the parameters of the interatomic potential. We then study how uncertainties in the parameters propagate to the quantities of interest relevant to crack propagation, namely, the critical stress intensity factor and the lattice trapping range. For our numerical investigation, we rely on an automated version of the so-called numerical-continuation enhanced flexible boundary (NCFlex) algorithm.
rate research
Read More
Molecular dynamics simulations of crack propagation are performed for two extreme cases of complex metallic alloys (CMAs): In a model quasicrystal the structure is determined by clusters of atoms, whereas the model C15 Laves phase is a simple periodic stacking of a unit cell. The simulations reveal that the basic building units of the structures also govern their fracture behaviour. Atoms in the Laves phase play a comparable role to the clusters in the quasicrystal. Although the latter are not rigid units, they have to be regarded as significant physical entities.
We use classical molecular dynamics (MD) simulations to investigate the mechanical properties of pre-cracked, nano-porous single layer MoS2 (SLMoS2) and the effect of interactions between cracks and pores. We found that the failure of pre-cracked and nano-porous SLMoS2 is dominated by brittle type fracture. Bonds in armchair direction show a stronger resistance to crack propagation compared to the zigzag direction. We compared the brittle failure of Griffith prediction with the MD fracture strength and toughness and found substantial differences that limit the applicability of Griffith criterion for SLMoS2 in case of nano-cracks and pores. Next, we demonstrate that the mechanical properties of pre-cracked SLMoS2 can be enhanced via symmetrically placed pores and auxiliary cracks around a central crack and position of such arrangements can be optimized for maximum enhancement of strengths. Such a study would help towards strain engineering based advanced designing of SLMoS2 and other similar Transition Metal Dichalcogenides.
Geologic shear fractures such as faults and slip surfaces involve marked friction along the discontinuities as they are subjected to significant confining pressures. This friction plays a critical role in the growth of these shear fractures, as revealed by the fracture mechanics theory of Palmer and Rice decades ago. In this paper, we develop a novel phase-field model of shear fracture in pressure-sensitive geomaterials, honoring the role of friction in the fracture propagation mechanism. Building on a recently proposed phase-field method for frictional interfaces, we formulate a set of governing equations for different contact conditions (or lack thereof) in which frictional energy dissipation emerges in the crack driving force during slip. We then derive the degradation function and the threshold fracture energy of the phase-field model such that the stress-strain behavior is insensitive to the length parameter for phase-field regularization. This derivation procedure extends a methodology used in recent phase-field models of cohesive tensile fracture to shear fracture in frictional materials in which peak and residual strengths coexist and evolve by confining pressure. The resulting phase-field formulation is demonstrably consistent with the theory of Palmer and Rice. Numerical examples showcase that the proposed phase-field model is a physically sound and numerically efficient method for simulating shear fracture processes in geologic materials, such as faulting and slip surface growth.
In this paper we present a scheme for the numerical solution of one-dimensional stochastic differential equations (SDEs) whose drift belongs to a fractional Sobolev space of negative regularity (a subspace of Schwartz distributions). We obtain a rate of convergence in a suitable $L^1$-norm and we implement the scheme numerically. To the best of our knowledge this is the first paper to study (and implement) numerical solutions of SDEs whose drift lives in a space of distributions. As a byproduct we also obtain an estimate of the convergence rate for a numerical scheme applied to SDEs with drift in $L^p$-spaces with $pin(1,infty)$.
For some typical and widely used non-convex half-quadratic regularization models and the Ambrosio-Tortorelli approximate Mumford-Shah model, based on the Kurdyka-L ojasiewicz analysis and the recent nonconvex proximal algorithms, we developed an efficient preconditioned framework aiming at the linear subproblems that appeared in the nonlinear alternating minimization procedure. Solving large-scale linear subproblems is always important and challenging for lots of alternating minimization algorithms. By cooperating the efficient and classical preconditioned iterations into the nonlinear and nonconvex optimization, we prove that only one or any finite times preconditioned iterations are needed for the linear subproblems without controlling the error as the usual inexact solvers. The proposed preconditioned framework can provide great flexibility and efficiency for dealing with linear subproblems and guarantee the global convergence of the nonlinear alternating minimization method simultaneously.
Log in to be able to interact and post comments
comments
Fetching comments
Sign in to be able to follow your search criteria
