Numerous molecular dynamics (MD) simulations have been performed to investigate the
effect of the nanopores on the martensitic transformation (MT) of pure iron (Fe) during the …

Molecular dynamics simulations are used to investigate the atomic effects of carbon (C)
addition in Fe on the martensitic phase transformation in the presence of pre-existing defects …

Using classical molecular dynamics simulations, we study austenite to ferrite phase
transformation in iron, focusing on the role of interface morphology. We compare two …

Only few available interatomic interaction potentials implement the α↔ γ phase
transformation in iron by featuring a stable low-temperature bcc and high-temperature fcc …

Using molecular dynamics simulation, we studied the influence of pre-existing dislocations
on the austenitic and the martensitic phase transformations in pure iron. The simulations …

Deformation-induced martensitic transformations (DIMTs) have been widely observed in iron
and ferroalloys under various mechanical loading conditions, thereby showing extreme …

We used classical molecular dynamics simulation to study the ferrite–austenite phase
transformation of iron in the vicinity of a phase boundary to cementite. When heating a ferrite …

The as-produced martensitic steel fabricated by selective laser melting (SLM) is generally
softer and weaker than the wrought specimen due to the residual austenite in the …

Three samples, namely, iron (Fe) bulk, nanowire (NW) and nanotube (NT) with the initial
body centered cubic (bcc) structure were designed and constructed. Using molecular …

Using classical molecular dynamics simulations and the Meyer-Entel interaction potential,
we study the martensitic transformation pathway in a pure iron bi-crystal containing a …