Atomistic mechanism of nucleation and growth of a face-centered orthogonal phase in small-sized single-crystalline Mo

Y Lu, S Sun, Y Zeng, Q Deng, Y Chen, Y Li… - Materials Research …, 2020 - Taylor & Francis
Phase transformation is an important deformation and blunting mechanism at the crack
tip of body-centered cubic (BCC) metals. The BCC-to-face-centered orthogonal (FCO) …

Atomistic mechanisms of phase nucleation and propagation in a model two-dimensional system

F Shuang, P Xiao, L Xiong… - Proceedings of the …, 2022 - royalsocietypublishing.org
… solid–solid phase transition of a model two-dimensional system between hexagonal and
square phases under pressure. The atomistic mechanism of phase nucleation and propagation …

Atomistic modeling of mechanical behavior

J Li, AHW Ngan, P Gumbsch - Acta Materialia, 2003 - Elsevier
… and elucidating the underlying mechanisms. Because the … like phase or grain boundaries
are under investigation by … ~5 nm in the other two orthogonal directions which were along a <1 …

Pressure-induced phase transition and its atomistic mechanism in BeO: A theoretical calculation

Y Cai, S Wu, R Xu, J Yu - Physical Review B—Condensed Matter and …, 2006 - APS
… of the phase transition based on an atomistic mechanism of transition. The phase transition
from WZ … is still viewed as an orthogonal strain deformation: two strain contractions in the [101 …

Atomistic study of ordinary screw dislocations in single-phase and lamellar γ-TiAl

IH Katzarov, MJ Cawkwell, AT Paxton… - Philosophical …, 2007 - Taylor & Francis
… scheme that works within the orthogonal tight-binding approximation and is … mechanisms
in single-phase and two-phase TiAl alloys, we have to gain deeper insight into the mechanisms

Deformation paths and atomistic mechanism of B4→ B1 phase transformation in aluminium nitride

RF Zhang, S Veprek - Acta materialia, 2009 - Elsevier
… atomic basis vectors onto the orthogonal Cartesian axes. The three atomic basis vectors are
expressed by a i (i = 1, 2, 3). The orientation of Cartesian orthogonal axes with respect to the …

Lattice instabilities and phase transformations in Fe from atomistic simulations

MGDV Cuppari, RGA Veiga, H Goldenstein… - Journal of Phase …, 2017 - Springer
phases as well as MD simulations to study the mechanisms involved in the transformations.
… 4 that the axis of the simulation cell did not remain orthogonal after the transformation, …

Non-orthogonal computational grids for studying dislocation motion in phase field approaches

X Peng, A Hunter, IJ Beyerlein, RA Lebensohn… - Computational Materials …, 2021 - Elsevier
… the basic mechanisms for dislocation motion and dislocation–dislocation core interactions
[9]. Most atomistic … They do not resolve atoms and thus, require atomistic information on core …

Atomistic perspective on in situ nanomechanics

J Wang, SX Mao - Extreme Mechanics Letters, 2016 - Elsevier
… and nanocrystalline materials, phase transformation, liquid-like … to understand the atomistic
mechanisms that control the … to a BCT structure via an orthogonal path under bending, and …

Atomistic simulation of structural phase transformations in monocrystalline silicon induced by nanoindentation

DE Kim, SI Oh - Nanotechnology, 2006 - iopscience.iop.org
… However, our results showed that the atomistic mechanism of phase transformation varied
… But in our case, direct amorphization was only detected during the loading orthogonal to the (…