相关论文: On the competition between dislocation transmissio…
The possible paralelism existing between phase transitions and fracture in disordered materials, is discussed using the well-known Fiber Bundle Models and a probabilistic approach suited to smooth fluctuations near the critical point. Two…
A major challenge in molecular simulations is to describe denaturant-dependent folding of proteins order to make direct comparisons with {\it in vitro} experiments. We use the molecular transfer model, which is currently the only method…
This work presents a novel diffusion based dual-phase molecular communication system where the source leverages multiple cooperating nanomachines to improve the end-to-end reliability of communication. The Neyman-Pearson Likelihood Ratio…
This paper presents an adaptive strategy for phase-field simulations with transition to fracture. The phase-field equations are solved only in small subdomains around crack tips to determine propagation, while an XFEM discretization is used…
The focus of this paper is on the analysis of a semi-infinite crack lying along a perfect interface in a piezoelectric bimaterial with arbitrary loading on the crack faces. Making use of the extended Stroh formalism for piezoelectric…
We report on investigations of the applicability of non-relativistic constituent quark models to the low-energy nucleon-nucleon (NN) interaction. The major innovations of a resulting NN potential are the use of the $^3$P$_0$ decay model and…
Ionic transport in nano- to sub-nano-scale pores is highly dependent on translocation barriers and potential wells. These features in the free-energy landscape are primarily the result of ion dehydration and electrostatic interactions. For…
Fracture of materials with rate-dependent mechanical behaviour, e.g. polymers, is a highly complex process. For an adequate modelling, the coupling between rate-dependent stiffness, dissipative mechanisms present in the bulk material and…
This paper concerns with finite element approximations of a quasi-static poroelasticity model in displacement-pressure formulation which describes the dynamics of poro-elastic materials under an applied mechanical force on the boundary. To…
Modeling the propagation of cracks at the microscopic level is fundamental to understand the effect of the microstructure on the fracture process. Nevertheless, microscopic propagation is often unstable and when using phase field fracture…
In this work we examine the driving force for edge dislocations to climb in $\alpha$-Fe from atomistic and mesoscale viewpoints. We study the bias for the climb process depending on the dislocation orientation and the applied stress as…
Non-diffusive effects in charge transport become relevant as device sizes and features become comparable to the electronic mean free path. As a model system, we investigate the electric transport around mesoscopic defects in graphene with…
The problem of heterogeneous nucleation of second-phase in alloys in the vicinity of elastic defects is considered. The defect can be a dislocation line or a crack tip residing in a crystalline solid. We use the Ginzburg-Landau equation to…
The dynamics of dislocations can be formulated in terms of the evolution of continuous variables representing dislocation densities ('continuum dislocation dynamics'). We show for various variants of this approach that the resulting models…
We present a continuum phase-field model of crack propagation. It includes a phase-field that is proportional to the mass density and a displacement field that is governed by linear elastic theory. Generic macroscopic crack growth laws…
A phase field model of a crystalline material at the mesoscale is introduced to develop the necessary theoretical framework to study plastic flow due to dislocation motion. We first obtain the elastic stress from the phase field free energy…
Linear complexions are defect phases that form in the presence of dislocations and thus are promising for the direct control of plasticity. In this study, atomistic simulations are used to model the effect of linear complexions on…
The transport of polymers with folded configurations across membrane pores is investigated theoretically by analyzing simple discrete stochastic models. The translocation dynamics is viewed as a sequence of two events: motion of the folded…
We investigate localization effects in zigzag graphene nanoribbons with quasiperiodic Fibonacci-type edge extensions, accounting for electron-electron interactions. We employ a tight-binding model that includes first- and…
To describe the grazing scattering of keV atoms at surface, a new quantum binary collision model have been proposed where the dynamical properties of the surface atoms are considered via the wave-function of the local Debye harmonic…