The Peierls± Nabarro model revisited
TL;DR: In this paper, the authors re-examine two important issues within the Peierls-Nabarro model, which are critical in obtaining accurate values for the Peiers stress.
Abstract: We re-examine two important issues within the Peierls-Nabarro model, which are critical in obtaining accurate values for the Peierls stress. The first is related to the sampling scheme (double versus single counting) of the misfit energy across the glide plane and the second is the effect of atomic relaxation on the Peierls stress. We argue that the double-counting scheme is physically more appropriate. An analytical formula is derived for the Peierls stress of dislocations in alternating lattices. The atomic relaxation is shown to play an important role on the Peierls stress for narrow dislocations.
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24 Nov 2011TL;DR: In this paper, the authors present the complete fundamentals of multiscale modeling for graduate students and researchers in physics, materials science, chemistry, and engineering, with examples drawn from modern research on the thermodynamic properties of crystalline solids.
Abstract: Material properties emerge from phenomena on scales ranging from Angstroms to millimeters, and only a multiscale treatment can provide a complete understanding. Materials researchers must therefore understand fundamental concepts and techniques from different fields, and these are presented in a comprehensive and integrated fashion for the first time in this book. Incorporating continuum mechanics, quantum mechanics, statistical mechanics, atomistic simulations and multiscale techniques, the book explains many of the key theoretical ideas behind multiscale modeling. Classical topics are blended with new techniques to demonstrate the connections between different fields and highlight current research trends. Example applications drawn from modern research on the thermo-mechanical properties of crystalline solids are used as a unifying focus throughout the text. Together with its companion book, Continuum Mechanics and Thermodynamics (Cambridge University Press, 2011), this work presents the complete fundamentals of materials modeling for graduate students and researchers in physics, materials science, chemistry and engineering.
381 citations
TL;DR: In this article, a generalized Peierls-Nabarro model fitted to generalized stacking fault energies (GSFE) calculated from ab initio density functional theory was used to study the effect of interstitial nitrogen content on stacking faults (SF) in the plane of face-centered cubic (fcc) Fe-N alloys.
146 citations
TL;DR: In this article, the authors revisited salient examples of these cutting-edge theoretical discoveries regarding shape memory alloys (SMA) deformation along with discussions on pertinent experimental evidences.
116 citations
TL;DR: In this article, the authors systematically revisited the empirical physical evidence of slip in shape memory alloys from the literature, and then embarks on reviewing the investigations of atomistic studies as exemplified by the authors' group.
103 citations
TL;DR: In this article, the interaction of hydrogen with plane defects (free surfaces and stacking faults) in the α-Zr-H solid solution was studied using ab initio calculations based on density functional theory.
82 citations