Insights into dislocation climb efficiency in FCC metals from atomistic simulations

A Abu-Odeh, M Cottura, M Asta - Acta Materialia, 2020 - Elsevier
Dislocation climb is a mechanism fundamental to high temperature deformation processes,
annealing of quenched-in defects, and irradiated defect absorption in metals. It is known …

Interface facilitated transformation of voids directly into stacking fault tetrahedra

XF Kong, N Gao, IJ Beyerlein, BN Yao, SJ Zheng… - Acta Materialia, 2020 - Elsevier
Voids, helium bubbles and stacking fault tetrahedra (SFTs) are common irradiation-induced
defects in face-centered cubic (FCC) metals and their alloys that have detrimental effects on …

Automated calculation and convergence of defect transport tensors

TD Swinburne, D Perez - NPJ Computational Materials, 2020 - nature.com
Defect diffusion is a key process in materials science and catalysis, but as migration
mechanisms are often too complex to enumerate a priori, calculation of transport tensors …

Shock velocity-dependent elastic-plastic collapse of pre-existing stacking fault tetrahedron in single crystal Cu

KV Reddy, S Pal - Computational Materials Science, 2020 - Elsevier
Stacking fault tetrahedron (SFT) is a characteristic vacancy clustered defect which can cause
deterioration of metals through plastic instability. Here, we have studied the effect of shock …

DFT-parameterized object kinetic Monte Carlo simulations of radiation damage

E Martínez, MJ Caturla, J Marian - Handbook of materials modeling …, 2020 - Springer
Materials for nuclear applications are subjected to extremely stringent conditions. The
incoming energetic particles create different types of defects in the material that modify the …

Vacancy defects and their influence on mechanical properties in as-dealloyed and Fe+ ion irradiated nanoporous Au

C Lakshmanan, RN Viswanath, P Panda… - Europhysics …, 2020 - iopscience.iop.org
Continuous depth sensing nano-indentation hardness measurements coupled with low-
energy positron beam Doppler broadening line shape measurements were performed to …

[PDF][PDF] Structure of Interfaces in CulAu Nanolaminates

A Gola, L Pastewka - researchgate.net
We used molecular dynamics calculations to study the influence of interdiffusion on the
bicrystal interface of Cu| Au nanolaminates. Starting from an ideal bicrystal of 50 nm …