Journal Article10.1103/PHYSREVLETT.71.4182
Crystal instabilities at finite strain.
839
TL;DR: It is demonstrated that stability criteria derived using elastic stiffness coefficients which govern stress-strain relations at finite deformation give quantitative predictions of crystal instability, as observed in direct molecular dynamics simulations.
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Abstract: It is demonstrated that stability criteria derived using elastic stiffness coefficients which govern stress-strain relations at finite deformation give quantitative predictions of crystal instability, as observed in direct molecular dynamics simulations. With the aid of such analysis we show that instabilities can be triggered in succession; as a consequence, the limit of metastability in the superheating of a defect-free crystal can be predicted.
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References
Polymorphic transitions in single crystals: A new molecular dynamics method
Michele Parrinello,A. Rahman +1 more
TL;DR: In this paper, a new Lagrangian formulation is introduced to make molecular dynamics (MD) calculations on systems under the most general externally applied, conditions of stress, which is well suited to the study of structural transformations in solids under external stress and at finite temperature.
17.8K
•Book
Dynamical Theory of Crystal Lattices
Max Born,Kʿun Huang +1 more
- 01 Jan 1954
TL;DR: Born and Huang's classic work on the dynamics of crystal lattices was published over thirty years ago, and it remains the definitive treatment of the subject as mentioned in this paper. But it is not the most complete work on crystal lattice dynamics.
10.9K
Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys.
TL;DR: A consistent set of embedding functions and pair interactions for use with the embedded-atom method was determined empirically by fitting to the sublimation energy, equilibrium lattice constant, elastic constants, and vacancy-formation energies of the pure metals and the heats of solution of the binary alloys as discussed by the authors.
4.5K
Thermodynamics of Crystals and Melting
TL;DR: In this article, the free energy of a rigid body is calculated as a function of temperature, and of the six homogeneous strain components, for a regular (cubic) lattice.
718
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