G Liu, X Cheng, J Wang, K Chen, Y Shen - Scripta Materialia, 2016 - Elsevier
In order to quantitatively predict Peierls stress, a semi-discrete variational Peierls-Nabarro model is improved by incorporating an additional gradient energy term into the energy …
We introduce a novel approach to calculating the Peierls energy barrier (and Peierls stress) based on the analysis of the dislocation migration dynamics, which we apply to 1/2a⟨ 111⟩ …
K Edagawa, Y Kamimura, AM Iskandarov, Y Umeno… - Materialia, 2019 - Elsevier
We have computed Peierls stresses of dislocations in a variety of crystals by applying a simple discretized Peierls–Nabarro model of the dislocation using the calculated ab-initio γ …
BA Szajewski, F Pavia, WA Curtin - Modelling and Simulation in …, 2015 - iopscience.iop.org
The line tension $\Gamma $ of a dislocation is an important and fundamental property ubiquitous to continuum scale models of metal plasticity. However, the precise value of …
R Gröger, V Vitek - … and Simulation in Materials Science and …, 2012 - iopscience.iop.org
We demonstrate that the straightforward application of the nudged elastic band (NEB) method does not determine the correct Peierls barrier of 1/2< 1 1 1> screw dislocations in …
R Gröger, V Vitek - Acta materialia, 2013 - Elsevier
The recently formulated constrained nudged elastic band method with atomic relaxations (NEB+ r)(Gröger R, Vitek V. Model Simul Mater Sci Eng 2012; 20: 035019) is used to …
The Peierls barrier measures the lattice resistance to dislocation glide in crystalline solids. We use the nudged elastic band (NEB) method to calculate the Peierls barriers for screw …
XC Zhang, S Cao, R Yang, QM Hu - Journal of Materials Research and …, 2023 - Elsevier
Peierls stress (τ p) of face-centered-cubic (FCC) structures from the Peierls-Nabarro (PN) model calculation is extremely sensitive to the input parameters including the shear modulus …
G Liu, X Cheng, J Wang, K Chen, Y Shen - Computational Materials …, 2017 - Elsevier
We review the major efforts that improve the accuracy of Peierls-Nabarro (PN) model in predicting core structure and Peierls stress, and recognize that the nonlocal atomic …