Hydrogen Diffusion on, into and in Magnesium Probed by DFT: A Review
MG Shelyapina - Hydrogen, 2022 - mdpi.com
Hydrogen is an energy carrier that can be a sustainable solution for alternative energy with
zero greenhouse gas emissions. Hydrogen storage is a key point for hydrogen energy …
zero greenhouse gas emissions. Hydrogen storage is a key point for hydrogen energy …
Room temperature deformation mechanisms of Mg/Nb nanolayered composites
In this work, the deformation mechanisms underlying the room temperature deformation of
the pseudomorphic body centered cubic (BCC) Mg phase in Mg/Nb nanolayered …
the pseudomorphic body centered cubic (BCC) Mg phase in Mg/Nb nanolayered …
Simultaneous high strength and mechanical stability of bcc Nb/Mg nanolaminates
While bimetallic nanocomposites have demonstrated extraordinary–three to even ten-fold–
gains in strength with decreasing layer thickness, their strengths tend to plateau beyond a …
gains in strength with decreasing layer thickness, their strengths tend to plateau beyond a …
Strong, ductile, and thermally stable bcc-Mg nanolaminates
Magnesium has attracted attention worldwide because it is the lightest structural metal.
However, a high strength-to-weight ratio remains its only attribute, since an intrinsic lack of …
However, a high strength-to-weight ratio remains its only attribute, since an intrinsic lack of …
Mechanistic insights into interface-facilitated dislocation nucleation and phase transformation at semicoherent bimetal interfaces
XP Shen, BN Yao, ZR Liu, D Legut, HJ Zhang… - International Journal of …, 2021 - Elsevier
The nucleation of lattice dislocations and interface sliding at bimetal interfaces are two
fundamental mechanisms of plasticity that are responsible for the mechanical responses of …
fundamental mechanisms of plasticity that are responsible for the mechanical responses of …
Elastic constants of pure body-centered cubic Mg in nanolaminates
At ambient temperature, pressure, and sufficiently fine layer thicknesses, pure body-
centered cubic (bcc) Mg can exist as a pseudo-morphic phase when coherently bonded with …
centered cubic (bcc) Mg can exist as a pseudo-morphic phase when coherently bonded with …
DFT calculations of hydrogen diffusion and phase transformations in magnesium
K Klyukin, MG Shelyapina, D Fruchart - Journal of Alloys and Compounds, 2015 - Elsevier
To describe microscopic hydrogen migration processes and steps of hydride formation we
have carried out a theoretical study of the hydrogen diffusion in hexagonal closed packed …
have carried out a theoretical study of the hydrogen diffusion in hexagonal closed packed …
Processing of novel pseudomorphic Cu–Mo hierarchies in thin films
ABSTRACT A new processing route has been discovered through which far-from-
equilibrium, metastable architectures with unprecedented properties are synthesized. This …
equilibrium, metastable architectures with unprecedented properties are synthesized. This …
Influence of Defects on the Stability and Hydrogen‐Sorption Behavior of Mg‐Based Hydrides
This review deals with the destabilization methods for improvement of storage properties of
metal hydrides. Both theoretical and experimental approaches were used to point out the …
metal hydrides. Both theoretical and experimental approaches were used to point out the …
Density functional theory-based investigations of solute kinetics and precipitate formation in binary magnesium-rare earth alloys: A review
D Choudhuri, SG Srinivasan - Computational Materials Science, 2019 - Elsevier
Magnesium-rare earth (RE) alloys have received substantial attention over the last two
decades for light-weight fuel efficient applications because of their low density of 1.74 gm/cc …
decades for light-weight fuel efficient applications because of their low density of 1.74 gm/cc …