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Vasily V Bulatov

Publications and source records attributed to Vasily V Bulatov.

4 recordsLinked to original sources

Dynamic transitions from smooth to rough to twinning in dislocation motion.

The motion of dislocations in response to stress dictates the mechanical behaviour of materials. However, it is not yet possible to directly observe dislocation motion experimentally at the atomic level. Here, we present the first observations of the long-hypothesized kink-pair mechanism in action using atomistic simulations of dislocation motion in iron. In a striking deviation from the classical picture, dislocation motion at high strain rates becomes rough, resulting in spontaneous self-pinning and production of large quantities of debris. Then, at still higher strain rates, the dislocation stops abruptly and emits a twin plate that immediately takes over as the dominant mode of plastic deformation. These observations challenge the applicability of the Peierls threshold concept to the three-dimensional motion of screw dislocations at high strain rates, and suggest a new interpretation of plastic strength and microstructure of shocked metals.

Iron↗

Anomalous dislocation multiplication in FCC metals.

Direct atomistic simulations of dislocation multiplication in fcc aluminum reveal an unexpected mechanism, in which a Frank-Read source emits dislocations with Burgers vectors different from that of the source itself. The mechanism is traced to a spontaneous nucleation of partial dislocation loops within the stacking fault. Understanding and a quantitative description of this unusual process are achieved through the development of a continuum model for dislocation nucleation based on the coarse-grained dislocation dynamics approach and a minimal amount of atomistic input.

Journal Article↗

Importance sampling of rare transition events in Markov processes.

We present an importance sampling technique for enhancing the efficiency of sampling rare transition events in Markov processes. Our approach is based on the design of an importance function by which the absolute probability of sampling a successful transition event is significantly enhanced, while preserving the relative probabilities among different successful transition paths. The method features an iterative stochastic algorithm for determining the optimal importance function. Given that the probability of sampling a successful transition event is enhanced by a known amount, transition rates can be readily computed. The method is illustrated in one- and two-dimensional systems.

Journal Article↗

Nodal effects in dislocation mobility.

We show that, contrary to the prevailing perception, dislocations can become more mobile by zipping together to form junctions. In a series of direct atomistic simulations, the critical stress to move a junction network in a [110] plane of bcc molybdenum is found to be always smaller ( approximately 50%) than that required to move isolated dislocations. Our data support a previously proposed hypothesis about the nature of anomalous slip in bcc transition metals, yet offer a different atomistic mechanism for conservative motion of screw dislocation networks. The same data suggest a hierarchy of motion mechanisms in which lower-dimensional crystal imperfections control the rate of sliding along the low-angle twist boundaries.

Journal Article↗