Non-linear temperature dependent Raman parametric changes: An identification of Fano intervened systems

C Rani, M Tanwar, T Ghosh, S Kandpal, SK Saxena… - Physics Reports, 2023 - Elsevier
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 …

Structural stability of metal hydrides, alanates and borohydrides of alkali and alkali-earth elements: A review

L George, SK Saxena - International Journal of Hydrogen Energy, 2010 - Elsevier
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 …

A paradigm shift towards compositionally zero-sum binderless 3D printing of magnesium alloys via capillary-mediated bridging

M Salehi, S Maleksaeedi, SML Nai… - Acta Materialia, 2019 - Elsevier
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 …

Thermodynamic and mechanical properties of lanthanum–magnesium phases from density functional theory

J Wróbel, LG Hector Jr, W Wolf, SL Shang… - Journal of alloys and …, 2012 - Elsevier
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 …

Improvement in hydrogen storage characteristics of Mg-based metal hydrides by doping nonmetals with high electronegativity: a first-principle study

Z Wu, F Yang, Z Bao, SN Nyamsi, Z Zhang - Computational materials …, 2013 - Elsevier
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 …

Enhancing of hydrogen storage properties of perovskite-type MgNiH3 by introducing cobalt dopant (MgCoxNi1−xH3) using first-principle calculations

M Abdellaoui, M Lakhal, H Benzidi, M Garara… - Applied Physics A, 2019 - Springer
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) …

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 …

Thermalized and mixed meanfield ADP potentials for magnesium hydrides

M Molinos, M Ortiz, MP Ariza - Mechanics of Materials, 2024 - Elsevier
We develop meanfield approximation and numerical quadrature schemes for the evaluation
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 …

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 …