The non-smooth contact dynamics method

International audienceThe main features of the Non-Smooth Contact Dynamics method are presented in this paper, the use of the dynamical equation, the non-smooth modelling of unilateral contact and Coulomb's law, fully implicit algorithms to solve the dynamical frictional contact problem for systems with numerous contacting points, in particular large collections of rigid or deformable bodies. Emphasis is put on contact between deformable bodies. Illustrating numerical simulation examples are given for granular materials, deep drawing and buildings made of stone blocks

Conductance fingerprints of non-collinear magnetic states in single atom contacts: a first-principles Wannier functions study

We present a first-principles computational scheme for investigating the ballistic transport properties of one-dimensional nanostructures with non-collinear magnetic order. The electronic structure is obtained within density functional theory as implemented in the full-potential linearized augmented plane-wave (FLAPW) method and mapped to a tight-binding like transport Hamiltonian via non-collinear Wannier functions. The conductance is then computed based on the Landauer formula using the Green's function method. As a first application we study the conductance between two ferromagnetic Co monowires terminated by single Mn apex atoms as a function of Mn-Mn separation. We vary the Mn-Mn separation from the contact (about 2.5 to 5 {\AA}) to the far tunneling regime (5 to 10 {\AA}). The magnetization direction of the Co electrodes is chosen either in parallel or antiparallel alignment and we allow for different spin configurations of the two Mn spins. In the tunneling and into the contact regime the conductance is dominated by $s$-$d_{z^2}$-states. In the close contact regime (below 3.5 {\AA}) there is an additional contribution for a parallel magnetization alignment from the $d_{xz}$- and $d_{yz}$-states which give rise to an increase of the magnetoresistance as it is absent for antiparallel magnetization. If we allow the Mn spins to relax a non-collinear spin state is formed close to contact. We demonstrate that the transition from a collinear to such a non-collinear spin structure as the two Mn atoms approach leaves a characteristic fingerprint in the distance-dependent conductance and magnetoresistance of the junction. We explain the effect of the non-collinear spin state on the conductance based on the spin-dependent hybridization between the $d_{xz,yz}$-states of the Mn spins and their coupling to the Co electrodes.Comment: 13 pages, 5 figure

A phase-field method for modeling cracks with frictional contact

We introduce a phase-field method for continuous modeling of cracks with frictional contacts. Compared with standard discrete methods for frictional contacts, the phase-field method has two attractive features: (1) it can represent arbitrary crack geometry without an explicit function or basis enrichment, and (2) it does not require an algorithm for imposing contact constraints. The first feature, which is common in phase-field models of fracture, is attained by regularizing a sharp interface geometry using a surface density functional. The second feature, which is a unique advantage for contact problems, is achieved by a new approach that calculates the stress tensor in the regularized interface region depending on the contact condition of the interface. Particularly, under a slip condition, this approach updates stress components in the slip direction using a standard contact constitutive law, while making other stress components compatible with stress in the bulk region to ensure non-penetrating deformation in other directions. We verify the proposed phase-field method using stationary interface problems simulated by discrete methods in the literature. Subsequently, by allowing the phase field to evolve according to brittle fracture theory, we demonstrate the proposed method's capability for modeling crack growth with frictional contact

Contact Kinetics in Fractal Macromolecules

We consider the kinetics of first contact between two monomers of the same macromolecule. Relying on a fractal description of the macromolecule, we develop an analytical method to compute the Mean First Contact Time (MFCT) for various molecular sizes. In our theoretical description, the non-Markovian feature of monomer motion, arising from the interactions with the other monomers, is captured by accounting for the non-equilibrium conformations of the macromolecule at the very instant of first contact. This analysis reveals a simple scaling relation for the MFCT between two monomers, which involves only their equilibrium distance and the spectral dimension of the macromolecule, independently of its microscopic details. Our theoretical predictions are in excellent agreement with numerical stochastic simulations

Lax representations with non-removable parameters and integrable hierarchies of PDEs via exotic cohomology of symmetry algebras

This paper develops the technique of constructing Lax representations for PDEs via non-central extensions generated by non-triivial exotic 2-cocycles of their contact symmetry algebras. We show that the method is applicable to the Lax representations with non-removable spectral parameters. Also we demonstrate that natural extensions of the symmetry algebras produce the integrable hierarchies associated to their PDEs.Comment: arXiv admin note: text overlap with arXiv:1812.0333

Reproducibility of electrical caries measurements: A technical problem?

The currently available instrument for electrical detection of occlusal caries lesions {[}Electronic Caries Monitor (ECM)] uses a site-specific measurement with co-axial air drying. The reproducibility of this method has been reported to be fair to good. It was noticed that the measurement variation of this technique appeared to be non-random. It was the aim of this study to analyse how such a non-random reproducibility pattern arises and whether it could be observed for other operators and ECM models. Analysis of hypothetical measurement pairs showed that the pattern was related to measurements at the high and low end of the measurement range for the instrument. Data sets supplied by other researchers to a varying degree showed signs of a similar non-random pattern. These data sets were acquired at different locations, by different operators and using 3 different ECM models. The frequency distribution of measurements in all cases showed a single or double end-peaked distribution shape. It was concluded that the pattern was a general feature of the measurement method. It was tentatively attributed to several characteristics such as a high value censoring, insufficient probe contact and unpredictable probe contact. A different measurement technique, with an improved probe contact, appears to be advisable. Copyright (C) 2005 S. Karger AG, Basel