相关论文: Dynamical brittle fractures of nanocrystalline sil…

Several methods are constructed for large-scale electronic structure calculations. Test calculations are carried out with up to 10^7 atoms. As an application, cleavage process of silicon is investigated by molecular dynamics simulation with…

The 10-nm-scale structure in silicon cleavage is studied by the quantum mechanical calculations for large-scale electronic structure. The cleavage process on the order of 10 ps shows surface reconstruction and step formation. These…

We study atomistically the fracture of single crystal silicon at atomically sharp notches with opening angles of 0 degrees (a crack), 70.53 degrees, 90 degrees and 125.3 degrees. Such notches occur in silicon that has been formed by etching…

Understanding, predicting and eventually improving the resistance to fracture of silicate materials is of primary importance to design new glasses that would be tougher, while retaining their transparency. However, the atomic mechanism of…

We have measured the velocity of a running crack in brittle single crystal silicon as a function of energy flow to the crack tip. The experiments are designed to permit direct comparison with molecular dynamics simulations; therefore the…

Analytical models have been developed for fracture propagation over the last several decades and are now considered with renewed interest; the range of their applicability varies for different materials and different loading conditions.…

Breakage is generally understood in mechanical terms, yet nano-structures can rupture not only under external loads but also via thermal activation. Here we treat in a general framework the statistical mechanics of thermally induced…

We have developed a simulation technique that uses non-linear finite element analysis and elastic fracture mechanics to compute physically plausible motion for three-dimensional, solid objects as they break, crack, or tear. When these…

This work presents a finite element method for simulating dynamic processes that involve the coupled evolution of dislocation motion and crack propagation. The method numerically solves the Concurrent Atomistic-Continuum (CAC) formulation…

We review the development of ultrafast electron nanocrystallography as a method for investigating structural dynamics for nanoscale materials and interfaces. Its sensitivity and resolution are demonstrated in the studies of surface melting…

Ultimately, brittle fracture involves breaking atomic bonds. However, we still lack a clear picture of what happens in the highly deformed region around a moving crack tip. Consequently, we still cannot link nano to atomic-scale phenomena…

Silicene, a 2D analogue of graphene, has spurred a tremendous research interest in the scientific community for its unique properties essential for next generation electronic devices. In this work, for the first time, we present a molecular…

The fracture of carbon nanotubes is studied by atomistic simulations. The fracture behavior is found to be almost independent of the separation energy and to depend primarily on the inflection point in the interatomic potential. The rangle…

Nanocrystalline bulk materials are desirable for many applications as they combine mechanical strength and specific electronic transport properties. Our bottom up approach starts with tailored nanoparticles. Compaction and thermal treatment…

Amorphous silica deforms viscoplastically at elevated temperatures, as is common for brittle glasses. The key mechanism of viscoplastic deformation involves interatomic bond switching, which is known to be a thermally activated process. In…

This paper deals with the theoretical and numerical analysis of dynamic fracture of dissimilar chain consisting of masses lined by springs. Such a structure exhibits quite different dynamic properties in comparison with a symmetrical…

The lifetime and performance of any engineering component, from nanoscale sensors to macroscopic structures, are strongly influenced by fracture processes. Fracture itself is a highly localized event; originating at the atomic scale by bond…

The fracture toughness of Al/SiC nanolaminates with different layer thicknesses (in the range 10 to 100 nm) was measured by means of micropillar splitting and bending of a notched beam. The crack plane was perpendicular to the layers in the…

Aluminum alloys, the most widely utilized lightweight structural materials, predominantly depend on coherent complex-structured nano-plates to enhance their mechanical properties. Despite several decades of research, the atomic-scale…

Isoscaling is found to hold for fragment yields in the antisymmetrized molecular dynamics (AMD) simulations for collisions of calcium isotopes at 35 MeV/nucleon. This suggests the applicability of statistical considerations to the dynamical…