Non-linear temperature dependent Raman parametric changes: An identification of Fano intervened systems
Raman spectroscopy, since its discovery in 1928, left millions of footprints touching almost
all researchers coming from multidisciplinary research areas and has established itself as …
all researchers coming from multidisciplinary research areas and has established itself as …
Structural stability of metal hydrides, alanates and borohydrides of alkali and alkali-earth elements: A review
Alkali and alkali–earth metal hydrides have high hydrogen storage capacity, but high
operation temperature hinders their use. The alanates and borohydrides of alkali and alkali …
operation temperature hinders their use. The alanates and borohydrides of alkali and alkali …
A paradigm shift towards compositionally zero-sum binderless 3D printing of magnesium alloys via capillary-mediated bridging
Several metallurgical issues arise during melting and solidification-based additive
manufacturing (AM) methods which limit their use to only a few alloys. This study shows how …
manufacturing (AM) methods which limit their use to only a few alloys. This study shows how …
Thermodynamic and mechanical properties of lanthanum–magnesium phases from density functional theory
Thermodynamic and mechanical properties of the six known phases in the La–Mg phase
diagram, viz. LaMg, LaMg2, LaMg3, La5Mg41, La2Mg17, and LaMg12, and their elemental …
diagram, viz. LaMg, LaMg2, LaMg3, La5Mg41, La2Mg17, and LaMg12, and their elemental …
Improvement in hydrogen storage characteristics of Mg-based metal hydrides by doping nonmetals with high electronegativity: a first-principle study
The effects of a small amount of nonmetal elements (N, F and Cl) with high electronegativity
interstitially doping on improving the hydrogen storage characteristics of Mg-based metal …
interstitially doping on improving the hydrogen storage characteristics of Mg-based metal …
Enhancing of hydrogen storage properties of perovskite-type MgNiH3 by introducing cobalt dopant (MgCoxNi1−xH3) using first-principle calculations
First-principle calculations have been performed to study the intermetallic alloys MgCo x Ni
1− x and intermetallic hydrides MgCo x Ni 1− x H 3 using full-potential local orbital (FPLO) …
1− x and intermetallic hydrides MgCo x Ni 1− x H 3 using full-potential local orbital (FPLO) …
Structural destabilisation of MgH2 obtained by heavy ion irradiation
L Matović, N Novaković, S Kurko, M Šiljegović… - International Journal of …, 2009 - Elsevier
MgH2 powder samples have been irradiated with 120keV Ar+ 8 ions with different ion
fluencies ranging from 1012 to 1016ions/cm2. Irradiation effects are estimated by SRIM …
fluencies ranging from 1012 to 1016ions/cm2. Irradiation effects are estimated by SRIM …
Thermalized and mixed meanfield ADP potentials for magnesium hydrides
We develop meanfield approximation and numerical quadrature schemes for the evaluation
of Angular-Dependent interatomic Potentials (ADPs) for magnesium and magnesium …
of Angular-Dependent interatomic Potentials (ADPs) for magnesium and magnesium …
Effects of carbon nanotubes on the dehydrogenation behavior of magnesium hydride at relatively low temperatures
W Cai, X Zhou, L Xia, K Jiang, S Peng… - Journal of Materials …, 2014 - pubs.rsc.org
Dehydrogenation in MgH2 was found to lead to a transition from an incubation stage
controlled by nucleation to an accelerated stage controlled by the movement of the interface …
controlled by nucleation to an accelerated stage controlled by the movement of the interface …
Ab initio study of effects of Al and Y co-doping on destabilizing of MgH2
SC Zhou, RK Pan, TP Luo, DH Wu, LT Wei… - International journal of …, 2014 - Elsevier
First-principles calculations based on density functional theory (DFT) were performed to
study the destabilizing mechanism of co-doped MgH 2 with Al and Y. From the minimization …
study the destabilizing mechanism of co-doped MgH 2 with Al and Y. From the minimization …