Deformation, lattice instability, and metallization during solid-solid structural transformations under general applied stress tensor: example of Si I ->Si II

@inproceedings{Zarkevich2018DeformationLI,
  title={Deformation, lattice instability, and metallization during solid-solid structural transformations under general applied stress tensor: example of Si I ->Si II},
  author={Nikolai A. Zarkevich and Hao Chen and Valery I. Levitas and Duane D. Johnson},
  year={2018}
}
Nikolai A. Zarkevich,1, ∗ Hao Chen,2, † Valery I. Levitas,1, 2, 3, 4, ‡ and Duane D. Johnson1, 4, § Ames Laboratory, U.S. Department of Energy, Iowa State University, Ames, Iowa 50011-3020, USA Department of Aerospace Engineering, Iowa State University, Ames, Iowa 50011, USA Department of Mechanical Engineering, Iowa State University, Ames, Iowa 50011, USA Department of Materials Science & Engineering, Iowa State University, Ames, Iowa 50011, USA (Dated: June 4, 2018) 
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References

SHOWING 1-10 OF 32 REFERENCES
Lattice instability during phase transformations under multiaxial stress: Modified transformation work criterion
Valery I. Levitas,1,2 Hao Chen,3 and Liming Xiong3 1Departments of Aerospace Engineering, Mechanical Engineering, and Material Science and Engineering, Iowa State University, Ames, Iowa 50011, USA
Elastic model for stress–tensor-induced martensitic transformation and lattice instability in silicon under large strains
ABSTRACT Recent molecular dynamics simulations for phase transformations (PTs) Si ISi II under multiaxial loading revealed that lattice instability criteria for Si ISi II PTs are linear in the
Magneto-structural transformations via a solid-state nudged elastic band method: Application to iron under pressure.
TLDR
The solid-state nudged elastic band method is extended to handle a non-conserved order parameter, in particular, magnetization, that couples to volume and leads to many observed effects in magnetic systems, and finds a bcc-hcp equilibrium coexistence pressure of 8.4 GPa.
AB INITIO MODELLING OF NONLINEAR ELASTOPLASTIC PROPERTIES OF DIAMOND-LIKE C, SiC, Si, Ge CRYSTALS UPON LARGE STRAINS
5-th order nonlinear elastic properties of diamond-like single crystals are investigated by computational quantum chemistry, brief introduction to which is supplied. DFT LDA and DFT GGA methods are
Triaxial-Stress-Induced Homogeneous Hysteresis-Free First-Order Phase Transformations with Stable Intermediate Phases.
TLDR
Special triaxial compression-tension states were found for which the stresses for the instability of the crystal lattice of silicon (Si) are the same for direct and reverse phase transformations (PTs) between semiconducting Si I and metallic Si II phases, leading to unique homogeneous and hysteresis-free first-order PTs.
Phase field simulations of plastic strain-induced phase transformations under high pressure and large shear
Pressure and shear strain-induced phase transformations (PTs) in a nanograined bicrystal at the evolving dislocations pile-up have been studied utilizing a phase field approach (PFA). The complete
Effect of normal stress on the ideal shear strength in covalent crystals
Critical shear stress under the superimposed hydrostatic and uniaxial normal stress conditions of C, Si, Ge, and SiC is evaluated by ab initio density functional theory calculations to investigate
Stability and strength of covalent crystals under uniaxial and triaxial loading from first principles.
TLDR
The obtained results revealed that the compressive strengths are, consistently to fcc metals, almost linear functions of the transverse stresses.
Thermomechanical theory of martensitic phase transformations in inelastic materials
Abstract A general thermomechanical theory of martensitic phase transformations (PT) in inelastic materials is presented. The results are derived for small and large strains in the reference and
A review on high-pressure torsion (HPT) from 1935 to 1988
Abstract High-pressure torsion (HPT) method currently receives much attention as a severe plastic deformation (SPD) technique mainly because of the reports of Prof. Ruslan Z. Valiev and his
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