Frontiers in the simulation of dislocations

N Bertin, RB Sills, W Cai - Annual Review of Materials Research, 2020 - annualreviews.org
Dislocations play a vital role in the mechanical behavior of crystalline materials during
deformation. To capture dislocation phenomena across all relevant scales, a multiscale …

[图书][B] Dislocations, mesoscale simulations and plastic flow

L Kubin - 2013 - books.google.com
In the past twenty years, new experimental approaches, improved models and progress in
simulation techniques have brought new insights into longstanding issues concerning …

Microstructurally based cross-slip mechanisms and their effects on dislocation microstructure evolution in fcc crystals

AM Hussein, SI Rao, MD Uchic, DM Dimiduk… - Acta Materialia, 2015 - Elsevier
Three newly identified cross-slip mechanisms from atomistic simulations of fcc crystals,
namely surface, bulk and intersection cross-slip types, were hierarchically informed into …

Simulations of dislocation structure and response

R LeSar - Annu. Rev. Condens. Matter Phys., 2014 - annualreviews.org
Despite 5,000 years of metals in technology and 80 years since dislocations were
postulated as the carriers of deformation, we still lack fundamental theories of dislocation …

Atomistic simulations of dislocation behavior in a model FCC multicomponent concentrated solid solution alloy

SI Rao, C Woodward, TA Parthasarathy, O Senkov - Acta Materialia, 2017 - Elsevier
In this work, molecular statics and molecular dynamics simulations of a/2< 110> dislocation
behavior for a model FCC Co 30 Fe 16.67 Ni 36.67 Ti 16.67 alloy are discussed. It is shown …

The effect of local chemical ordering on dislocation activity in multi-principle element alloys: A three-dimensional discrete dislocation dynamics study

M Sudmanns, JA El-Awady - Acta Materialia, 2021 - Elsevier
The exceptional combination of strength and ductility in multi-component alloys is often
attributed to the interaction of dislocations with the various solute atoms in the alloy. To study …

Dislocation cross-slip in fcc solid solution alloys

WG Nöhring, WA Curtin - Acta Materialia, 2017 - Elsevier
Cross-slip is a fundamental process of screw dislocation motion and plays an important role
in the evolution of work hardening and dislocation structuring in metals. Cross-slip has been …

Atomistic modeling of dislocation cross-slip in nickel using free-end nudged elastic band method

D Chen, LL Costello, CB Geller, T Zhu, DL McDowell - Acta Materialia, 2019 - Elsevier
Cross-slip of screw dislocations plays an important role in the plastic deformation of face-
centered cubic (FCC) metals and alloys. Here we use the free-end nudged elastic band …

Stress effects on the energy barrier and mechanisms of cross-slip in FCC nickel

WP Kuykendall, Y Wang, W Cai - Journal of the Mechanics and Physics of …, 2020 - Elsevier
The energy barrier for homogeneous cross-slip of a screw dislocation in face-centered cubic
(FCC) nickel is calculated using atomistic simulations as a function of the Escaig stress on …

First-principles study of secondary slip in zirconium

N Chaari, E Clouet, D Rodney - Physical review letters, 2014 - APS
Although the favored glide planes in hexagonal close-packed Zr are prismatic, screw
dislocations can escape their habit plane to glide in either pyramidal or basal planes. Using …