No Arabic abstract
A theoretical account is given of the microscopic basis of the rate- and state-dependent friction (RSF) law. The RSF law describes rock friction quantitatively and therefore it is commonly used to model earthquakes and the related phenomena. But the RSF law is rather empirical and the theoretical basis has not been very clear. Here we derive the RSF law starting from constitutive laws for asperities, and give the atomistic expressions for the empirical RSF parameters. In particular, we show that both the length constant and the state variable are given as the 0th weighted power means of the corresponding microscopic quantities: a linear dimension and the contact duration of each asperity. As a result, evolution laws for the state variable can be derived systematically. We demonstrate that the aging and the slip laws can be derived and clarify the approximations behind these two major evolution laws. Additionally, the scaling properties of the length constant are clarified for fractal distribution of asperities.
The contribution of sliding-induced, atomic-scale instabilities to the kinetic friction force is investigated by molecular dynamics. For this purpose, we derive a relationship between the kinetic friction force $F_{rm k}$ and the non-equilibrium velocity distribution $P(v)$ of the lubricant particles. $P(v)$ typically shows exponential tails, which cannot be described in terms of an effective temperature. It is investigated which parameters control the existence of instabilities and how they affect $P(v)$ and hence $F_{rm k}$. The effects of the interfaces dimensionality, lubricant coverage, and internal degrees of freedom of lubricant particles on $F_{rm k}$ are studied explicitly. Among other results we find that the kinetic friction between commensurate surfaces is much more susceptible to changes in $(i)$ lubricant coverage, $(ii)$ sliding velocity, and $(iii)$ bond length of lubricant molecules than incommensurate surfaces.
Crystallization is a process of great practical relevance in which rare but crucial fluctuations lead to the formation of a solid phase starting from the liquid. Like in all first order first transitions there is an interplay between enthalpy and entropy. Based on this idea, to drive crystallization in molecular simulations, we introduce two collective variables, one enthalpic and the other entropic. Defined in this way, these collective variables do not prejudge the structure the system is going to crystallize into. We show the usefulness of this approach by studying the case of sodium and aluminum that crystallize in the bcc and fcc crystalline structure, respectively. Using these two generic collective variables, we perform variationally enhanced sampling and well tempered metadynamics simulations, and find that the systems transform spontaneously and reversibly between the liquid and the solid phases.
Markov State Modeling has recently emerged as a key technique for analyzing rare events in thermal equilibrium molecular simulations and finding metastable states. Here we export this technique to the study of friction, where strongly non-equilibrium events are induced by an external force. The approach is benchmarked on the well-studied Frenkel-Kontorova model, where we demonstrate the unprejudiced identification of the minimal basis microscopic states necessary for describing sliding, stick-slip and dissipation. The steps necessary for the application to realistic frictional systems are highlighted.
We propose a new physically-based ``multifractal stress activation model of earthquake interaction and triggering based on two simple ingredients: (i) a seismic rupture results from activated processes giving an exponential dependence on the local stress; (ii) the stress relaxation has a long memory. The combination of these two effects predicts in a rather general way that seismic decay rates after mainshocks follow the Omori law 1/t^p with exponents p linearly increasing with the magnitude M of the mainshock and the inverse temperature. We carefully test the prediction on the magnitude dependence of p by a detailed analysis of earthquake sequences in the Southern California Earthquake catalog. We find power law relaxations of seismic sequences triggered by mainshocks with exponents p increasing with the mainshock magnitude by approximately 0.1-0.15 for each magnitude unit increase, from p(M=3) approx 0.6 to p(M=7) approx 1.1, in good agreement with the prediction of the multifractal model. The results are robust with respect to different time intervals, magnitude ranges and declustering methods. When applied to synthetic catalogs generated by the ETAS (Epidemic-Type Aftershock Sequence) model constituting a strong null hypothesis with built-in magnitude-independent $p$-values, our procedure recovers the correct magnitude-independent p-values. Our analysis thus suggests that a new important fact of seismicity has been unearthed. We discuss alternative interpretations of the data and describe other predictions of the model.
Tribological phenomena are governed by combined effects of material properties, topology and surface-chemistry. We study the interplay of multiscale surface structures with molecular-scale interactions towards interpreting static frictional interactions at fractal interfaces. By spline-assisted-discretization we analyse asperity interactions in pairs of contacting fractal surface-profiles. For elastically deforming asperities, force analysis reveals greater friction at surfaces exhibiting higher fractality, with increasing molecular-scale friction amplifying this trend. Increasing adhesive strength yields higher overall friction at surfaces of lower fractality owing to greater true-contact-area. In systems where adhesive-type interactions play an important role, such as those where cold-welded junctions form, friction is minimised at an intermediate value of surface profile fractality found to be around 1.3 to 1.5. Results have implications for systems exhibiting evolving surface structures.