ترغب بنشر مسار تعليمي؟ اضغط هنا

Fast algorithms for evaluating the stress field of dislocation lines in anisotropic elastic media

405   0   0.0 ( 0 )
 نشر من قبل Chao Chen
 تاريخ النشر 2017
  مجال البحث فيزياء
والبحث باللغة English




اسأل ChatGPT حول البحث

In dislocation dynamics (DD) simulations, the most computationally intensive step is the evaluation of the elastic interaction forces among dislocation ensembles. Because the pair-wise interaction between dislocations is long-range, this force calculation step can be significantly accelerated by the fast multipole method (FMM). We implemented and compared four different methods in isotropic and anisotropic elastic media: one based on the Taylor series expansion (Taylor FMM), one based on the spherical harmonics expansion (Spherical FMM), one kernel-independent method based on the Chebyshev interpolation (Chebyshev FMM), and a new kernel-independent method that we call the Lagrange FMM. The Taylor FMM is an existing method, used in ParaDiS, one of the most popular DD simulation softwares. The Spherical FMM employs a more compact multipole representation than the Taylor FMM does and is thus more efficient. However, both the Taylor FMM and the Spherical FMM are difficult to derive in anisotropic elastic media because the interaction force is complex and has no closed analytical formula. The Chebyshev FMM requires only being able to evaluate the interaction between dislocations and thus can be applied easily in anisotropic elastic media. But it has a relatively large memory footprint, which limits its usage. The Lagrange FMM was designed to be a memory-efficient black-box method. Various numerical experiments are presented to demonstrate the convergence and the scalability of the four methods.



قيم البحث

اقرأ أيضاً

Several fluctuation formulas are available for calculating elastic constants from equilibrium correlation functions in computer simulations, but the ones available for simulations at constant pressure exhibit slow convergence properties and cannot be used for the determination of local elastic constants. To overcome these drawbacks, we derive a stress-stress fluctuation formula in the $NPT$ ensemble based on known expressions in the $NVT$ ensemble. We validate the formula in the $NPT$ ensemble by calculating elastic constants for the simple nearest-neighbor Lennard-Jones crystal and by comparing the results with those obtained in the $NVT$ ensemble. For both local and bulk elastic constants we find an excellent agreement between the simulated data in the two ensembles. To demonstrate the usefulness of the new formula, we apply it to determine the elastic constants of a simulated lipid bilayer.
We investigate the switching field distribution and the resulting bit error rate of exchange coupled ferri-/ferromagnetic bilayer island arrays by micromagnetic simulations. Using islands with varying microstructure and anisotropic properties, the in trinsic switching field distribution is computed. The dipolar contribution to the switching field distribution is obtained separately by using a model of a triangular patterned island array resembling $1.4,mathrm{Tb/in}^2$ bit patterned media. Both contributions are computed for different thickness of the soft exchange coupled ferrimagnet and also for ferromagnetic single phase FePt islands. A bit patterned media with a bilayer structure of FeGd($5,mathrm{nm}$)/FePt($5,mathrm{nm}$) shows a bit error rate of $10^{-4}$ with a write field of $1.16,mathrm{T}$.
Plastic deformation of crystals is a physical phenomenon, which has immensely driven the development of human civilisation since the onset of the Chalcolithic period. This process is primarily governed by the motion of line defects, called dislocatio ns. Each dislocation traps a quantum of plastic deformation expressible in terms of its Burgers vector[1,2]. Theorising the mechanisms of dislocation motion at the atomistic scales of length and time remains a challenging task on account of the extreme complexities associated with the dynamics. We present a new concept of modelling a moving dislocation as the dynamic distribution of the elastic field singularity within the span of the Burgers vector. Surprisingly, numerical implementation of this model for the periodic expansion-shrinkage cycle of the singularity is found to exhibit an energetics, which resembles that of a dislocation moving in the presence of the Peierls barrier[1-4]. The singularity distribution is shown to be the natural consequence under the external shear stress. Moreover, in contrast to the conventional assumption, here the calculations reveal a significant contribution of the linear elastic region surrounding the core towards the potential barrier.
The linked cell list algorithm is an essential part of molecular simulation software, both molecular dynamics and Monte Carlo. Though it scales linearly with the number of particles, there has been a constant interest in increasing its efficiency, be cause a large part of CPU time is spent to identify the interacting particles. Several recent publications proposed improvements to the algorithm and investigated their efficiency by applying them to particular setups. In this publication we develop a general method to evaluate the efficiency of these algorithms, which is mostly independent of the parameters of the simulation, and test it for a number of linked cell list algorithms. We also propose a combination of linked cell reordering and interaction sorting that shows a good efficiency for a broad range of simulation setups.
80 - Siran Li 2020
In an interesting recent paper [1] (A. Acharya, Stress of a spatially uniform dislocation density field, J. Elasticity 137 (2019), 151--155), Acharya proved that the stress produced by a spatially uniform dislocation density field in a body comprisin g a nonlinear elastic material may fail to vanish under no loads. The class of counterexamples constructed in [1] is essentially $2$-dimensional: it works with the subgroup $mathcal{O}(2) oplus langle{bf Id}rangle subset mathcal{O}(3)$. The objective of this note is to extend Acharyas result in [1] to $mathcal{O}(3)$, subject to an additional structural assumption and less regularity requirements.
التعليقات
جاري جلب التعليقات جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
mircosoft-partner

هل ترغب بارسال اشعارات عن اخر التحديثات في شمرا-اكاديميا