Molecular dynamics study of the α–γ phase transition in Fe induced by shear deformation

B Wang, HM Urbassek - Acta materialia, 2013 - Elsevier
Using classical molecular dynamics simulation and the Meyer–Entel interaction potential,
we study phase transitions in a biphasic body-centered cubic (bcc)/face-centered cubic Fe …

Does the fcc phase exist in the Fe bcc–hcp transition? A conclusion from first-principles studies

Z Lu, W Zhu, T Lu, W Wang - Modelling and Simulation in …, 2014 - iopscience.iop.org
Despite considerable experimental and theoretical efforts, the underlying atomistic process
of the body-centered cubic (bcc) to hexagonal close-packed (hcp) phase transition in Fe is …

Observation of atomically displacive transformation out of the boundary-reconstructive phase competition

Q Zeng, Z Du, X Han, B Wang, G Wu, E Liu - Acta Materialia, 2024 - Elsevier
During the phase transitions, diverse states evolve with multiplex phenomena arising from
the critical competition. In this study, a displacive martensitic transformation with a lattice …

Allotropic transformation of cobalt induced by ball milling

JY Huang, YK Wu, HQ Ye - Acta materialia, 1996 - Elsevier
We have found that phase transformation can occur in cobalt when subjected to ball milling.
The phase formation of cobalt was found to depend on the milling intensity. Under different …

Surface and orientation effects on stress-induced hcp-fcc phase transformation in Ti nanopillars

Q Zu, YF Guo, X Yao - Applied Surface Science, 2020 - Elsevier
An unconventional phase transformation from the hexagonal close-packed (hcp) to the face-
centered cubic (fcc) phase in Ti has been reported by previous experimental studies …

Intermediate state of hexagonal close-packed structure to face-centered cubic structure transformation: Direct evidence for basal-type face-centered cubic phase via …

F Yuan, F Han, Y Zhang, A Muhammad, W Guo… - Journal of Materials …, 2022 - Elsevier
An intermediate state of basal-type (B-type) face-centered cubic (FCC) zirconium phase is
firstly reported in as-solidified pure zirconium by means of transmission electron microscopy …

Ab initio calculations of ideal strength and lattice instability in W-Ta and W-Re alloys

C Yang, L Qi - Physical Review B, 2018 - APS
An important theoretical criterion to evaluate the ductility of metals with a body-centered
cubic (bcc) lattice is the mechanical failure mode of their perfect crystals under tension …

A first principles study of the stacking fault energies for fcc Co-based binary alloys

LY Tian, R Lizárraga, H Larsson, E Holmström, L Vitos - Acta Materialia, 2017 - Elsevier
The stacking fault energy is closely related to structural phase transformations and can help
to understand plastic deformation mechanisms in materials. Here we perform first principles …

Novel mixed-mode phase transition involving a composition-dependent displacive component

S Nag, A Devaraj, R Srinivasan, REA Williams… - Physical review …, 2011 - APS
Solid-solid displacive, structural phase transformations typically undergo a discrete
structural change from a parent to a product phase. Coupling electron microscopy, three …

Microstructural analysis and molecular dynamics modeling of shape memory alloys

CW Yang, NT Tsou - Computational Materials Science, 2017 - Elsevier
Molecular dynamics (MD) is an effective tool for studying the microstructures in shape
memory alloys at the atomic level. However, microstructural analysis of the results generated …