Papers by Author: Yuri M. Mishin

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Authors: A. Suzuki, Yuri M. Mishin
Abstract: We present results of atomistic computer simulations of spontaneous and stress-induced grain boundary (GB) migration in copper. Several symmetrical tilt GBs have been studied using the embedded-atom method and molecular dynamics. The GBs are observed to spontaneously migrate in a random manner. This spontaneous GB motion is always accompanied by relative translations of the grains parallel to the GB plane. Furthermore, external shear stresses applied parallel to the GB and normal to the tilt axis induce GB migration. Strong coupling is observed between the normal GB velocity vn and the grain translation rate v||. The mechanism of GB motion is established to be local lattice rotation within the GB core that does not involve any GB diffusion or sliding. The coupling constant between vn and v|| predicted within a simple geometric model accurately matches the molecular dynamics observations.
Authors: Yuri M. Mishin
Abstract: The paper gives a brief overview of our recent work on atomistic computer modeling of ordered intermetallic compounds of the Ni-Al and Ti-Al systems. Atomic interactions in these systems are modeled by semi-empirical potentials fit to experimental and first-principles data. The methodology includes a large variety of techniques ranging from harmonic lattice dynamics to molecular dynamics and Monte Carlo simulations. The properties studied include lattice characteristics (elastic constants, phonons, thermal expansion), point-defect properties, atomic diffusion, generalized stacking faults, dislocations, surfaces, grain boundaries, interphase boundaries, and phase diagrams. We especially emphasize the recent progress in the understanding of diffusion mechanisms in NiAl and TiAl, calculation of stacking fault energies in Ni3Al in relation to dislocation behavior, and calculations of / 0 interface boundaries in Ni-Al alloys.
Authors: Yuri M. Mishin, Irina V. Belova, Graeme E. Murch
Authors: Yuri M. Mishin, Diana Farkas
Authors: Yuri M. Mishin
Authors: Yuri M. Mishin, M. Köppers, Christian Herzig
Authors: Akihiro Suzuki, Yuri M. Mishin
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