Abstract Effects of uniaxial tensile directions on the phase transformations in a nano-sized
face centred cubic (fcc) crystal in iron were studied by molecular dynamics simulations. The …

The phase transformations and twinning in a nano-sized face-centred cubic (FCC) crystal of
iron with different carbon contents are studied by molecular dynamic (MD) simulations. The …

Molecular dynamics simulations are used to study the effects of tensile loading on
nucleation and subsequent growth of bcc phase in pure fcc iron. The results show that …

The exploration of mechanical properties and formation of various crystal structures under
the mechanically stressed condition has numerous uses for the design of engineering …

Atomistic simulations are used to investigate the structural transition (ST) in single crystal
iron and its reverse process in isothermal (NVT) and adiabatic (NVE) ensembles. The …

Molecular dynamics simulation has been performed to investigate the onset and evolution of
plasticity in nanosized bcc iron crystallites with different crystallographic orientation under …

Shape memory mechanisms, characteristic of Fe-based alloys, are discussed based on the
microscopic observations with various scales ranging from micron meter to sub-nanometer …

The mechanisms of low-temperature deformation at the crack tip in body-centered cubic
(bcc) iron have been studied by molecular dynamics simulations. Phase transformation and …

Using molecular-dynamics simulation, we study the phase transformations in Fe thin films
induced by uni-and biaxial strain. Both the austenitic transformation of a body-centered …

Tensile deformation behaviours of body-centred cubic (BCC) iron with varying number of
point defects caused by particle bombardment at nanoscale have been investigated by …