Peierls stress and kink pair energy in NaCl type crystals

2009 ◽  
Vol 521-522 ◽  
pp. 90-93 ◽  
Author(s):  
S. Takeuchi ◽  
H. Koizumi ◽  
T. Suzuki
Keyword(s):  
1999 ◽  
Vol 121 (2) ◽  
pp. 120-125 ◽  
Author(s):  
John A. Moriarty ◽  
Wei Xu ◽  
Per So¨derlind ◽  
James Belak ◽  
Lin H. Yang ◽  
...  

Quantum-based atomistic simulations are being used to study fundamental deformation and defect properties relevant to the multiscale modeling of plasticity in bcc metals at both ambient and extreme conditions. Ab initio electronic-structure calculations on the elastic and ideal-strength properties of Ta and Mo help constrain and validate many-body interatomic potentials used to study grain boundaries and dislocations. The predicted Σ5 (310) [100] grain boundary structure for Mo has recently been confirmed in HREM measurements. The core structure, γ surfaces, Peierls stress, and kink-pair formation energies associated with the motion of a/2〈111〉 screw dislocations in Ta and Mo have also been calculated. Dislocation mobility and dislocation junction formation and breaking are currently under investigation.


2011 ◽  
Vol 465 ◽  
pp. 97-100 ◽  
Author(s):  
Yasushi Kamimura ◽  
Keiichi Edagawa ◽  
Shin Takeuchi

Peierls stresses P of a variety of pure crystals, bcc metals, NaCl type crystals, elemental and compound tetrahedrally coordinated crystals, intermetallic compounds and ceramic crystals, have been estimated from the critical resolved shear stress (c) vs. temperature curves. For high P crystals where CRSS data are available only at high temperatures, P has been estimated from the critical temperature T0 at which steep temperature dependence of c vanishes: T0 is related to the kink-pair formation energy which is a function of P, material parameters and dislocation character controlling the deformation. The estimated p/G values are semi-log plotted against h/b value, where G is the shear modulus, h the slip plane spacing and b the Burgers vector. Two facts should be noted. First, P/G values for a group of crystals with the same crystal structure are within a range of a factor of 10. Second, most of the data points lie in between the classical Peierls-Nabarro relation and the Huntington’s modified relation. These facts indicates that Peierls stress is primarily determined by the crystal structure.


Author(s):  
Johann Kappacher ◽  
Oliver Renk ◽  
Daniel Kiener ◽  
Helmut Clemens ◽  
Verena Maier-Kiener

Abstract Due to their outstanding properties, ultra-fine-grained tungsten and its alloys are promising candidates to be used in harsh environments, hence it is crucial to understand their high temperature behavior and underlying deformation mechanisms. Therefore, advanced nanoindentation techniques were applied to ultra-fine-grained tungsten–rhenium alloys up to 1073 K. A continuous hardness decrease up to 0.2 $$T_{\text{m}}$$ T m is rationalized by a still dominating effect of the Peierls stress. However, the absence of well-established effects of Rhenium alloying, resulting in a reduced temperature dependence of strength for coarse-grained microstructures, was interpreted as an indication for a diminishing role of kink-pair formation in ultra-fine-grained metals with sufficiently fine grain size. Despite slight grain growth in W, dislocation–grain boundary interaction was identified as the dominating deformation mechanism above 0.2 $$T_{\text{m}}$$ T m . Interaction and accommodation of lattice dislocations with grain boundaries was affected by a reduced boundary diffusivity through alloying with Re. Graphic abstract


1965 ◽  
Vol 36 (6) ◽  
pp. 1944-1948 ◽  
Author(s):  
R. Hobart

2004 ◽  
Vol 70 (10) ◽  
Author(s):  
Ju Li ◽  
Cai-Zhuang Wang ◽  
Jin-Peng Chang ◽  
Wei Cai ◽  
Vasily V. Bulatov ◽  
...  

1995 ◽  
Vol 408 ◽  
Author(s):  
Vijay B. Shenoy ◽  
Rob Phillips

AbstractThough atomistic simulation of 3D dislocation configurations is an important objective for the analysis of problems ranging from point defect condensation to the operation of Frank-Read sources such calculations pose new challenges. In particular, use of finite sized simulation cells produce additional stresses due to the presence of fixed boundaries in the far field which can contaminate the interpretation of these simulations. This paper discusses an approximate scheme for accounting for such boundary stresses, and is illustrated via consideration of the lattice resistance encountered by straight dislocations and simulations of 3D bow out of pinned dislocation segments. These results allow for a reevaluation of the concepts of the Peierls stress and the line tension from the atomistic perspective.


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