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Hydrogen is a promising energy carrier, yet its practical deployment is limited by the lack of storage materials that simultaneously achieve high storage capacity ($w$) and practical equilibrium pressure at room temperature ($P_{\rm…

We report first-principles density functional theory studies of native defects in lithium borohydride (LiBH$_{4}$), a potential material for hydrogen storage. Based on our detailed analysis of the structure, energetics, and migration of…

Materials Science · Physics 2014-12-22 Khang Hoang , Chris G. Van de Walle

We propose a set of thermodynamic guidelines aimed at facilitating more robust screening of hydrogen storage reactions. The utility of the guidelines is illustrated by reassessing the validity of reactions recently proposed in the…

Materials Science · Physics 2007-10-04 Donald J. Siegel , C. Wolverton , V. Ozolins

Using gamma radiation and volumetric analysis of desorbed gas, hydrogen gas bonding sites have been created and detected in select materials. Desorption of hydrogen was followed over a benign temperature-pressure range. The extent of active…

Chemical Physics · Physics 2010-11-03 Barbara G. Muga , M. Luis Muga

One of the main objectives of the LHD is to extend the plasma confinement database for helical systems and to demonstrate such extended plasma confinement properties to be sustained in steady state. Among the various plasma parameter…

Plasma Physics · Physics 2015-06-26 Shin Kubo

Hydrogen loss from a-SiNx:H films under irradiation with 100 MeV Ag7+ ions using elastic recoil detection analysis (ERDA) experiments is reported. The results are explained under the basic assumptions of the molecular recombination model.…

Applied Physics · Physics 2018-04-18 R. K. Bommali , S. Ghosh , S. A. Khan , P. Srivastava

Magnesium hydride (MgH2) is a promising material for hydrogen storage because of its abundance and beneficial properties, such as high storage capacity and cost-effectiveness under mild conditions. Despite of these benefits, MgH2…

Materials Science · Physics 2025-01-09 Yogesh Kumar Yadav , Mohammad Abu Shaz , Thakur Prasad Yadav

We have investigated the adsorption and desorption of helium near its liquid-vapor critical point in silica aerogels with porosities between 95% and 98%. We used a capacitive measurement technique which allowed us to probe the helium…

Soft Condensed Matter · Physics 2009-11-11 Tobias Herman , James Day , John Beamish

Solid-state hydrogen storage materials are promising candidates for safe and compact hydrogen storage; however, data-driven discovery in this field remains limited by the availability of large-scale, well-curated datasets. Here, we present…

We report the investigation of the kinetic freeze-out properties of identified hadrons ($\pi^\pm$, $K^\pm$ and $p(\bar p)$) along with light (anti-)nuclei $d (\bar d)$, $t (\bar t)$ and ${}^{3}He$ in relativistic heavy-ion collisions at…

Nuclear Theory · Physics 2024-05-24 Junaid Tariq , M. U. Ashraf , Grigory Nigmatkulov

The model of hydrogen migration and of the reactions of hydrogen atoms with electrically active impurity, developed earlier, has been applied to simulate hydrogen diffusion and passivation process during plasma deuteration of silicon…

Materials Science · Physics 2015-06-12 O. I. Velichko , Yu. P. Shaman , A. P. Kovaliova

Magnesium hydride (MgH2) is the mostly used material for solid-state hydrogen storage. However, their slow kinetics and highly unfavorable thermodynamics make them unsuitable for the practical applications. The current study describes the…

Materials Science · Physics 2023-07-25 S. K. Verma , S. S. Mishra , N. K. Mukhopadhyay , T. P. Yadav

We determine the critical temperature of a 3-d homogeneous system of hard-sphere Bosons by path-integral Monte Carlo simulations and finite-size scaling. At low densities, we find that the critical temperature is increased by the repulsive…

Statistical Mechanics · Physics 2009-10-30 Peter Grüter , David Ceperley , Franck Laloë

The high pressure phases of HBr are explored with an ab initio crystal structure search. By taking into account the contribution of zero-point energy (ZPE), we find that the P4/nmm phase of HBr is thermodynamically stable in the pressure…

Superconductivity · Physics 2017-08-31 Qinyan Gu , Pengchao Lu , Kang Xia , Jian Sun , Dingyu Xing

This work reports the hydrogen storage, and delivery capacities of Sc and Y functionalized [1,1]paracyclophane using dispersion corrected density functional theory calculations. The Sc and Y atoms are bind strongly with benzene rings of…

Chemical Physics · Physics 2022-03-01 Rakesh K. Sahoo , P. Kour , Sridhar Sahu

Liquid metallic hydrogen (LMH) was recently produced under static compression and high temperatures in bench-top experiments. Here, we report a study of the optical reflectance of LMH in the pressure region of 1.4-1.7 Mbar and use the Drude…

Materials Science · Physics 2022-06-01 Mohamed Zaghoo , Isaac F. Silvera

Neutral hydrogen 21 cm transition is a useful tracer of the neutral interstellar medium. However, inferring physical condition from the observed 21 cm absorption and/or emission spectra is often not straightforward. One complication in…

Astrophysics of Galaxies · Physics 2021-01-13 Atanu Koley , Nirupam Roy

The study of superconductivity in compressed hydrides is of great interest due to measurements of high critical temperatures (Tc) in the vicinity of room temperature, beginning with the observations of LaH10 at 170-190 GPa. However, the…

The 2014-2015 prediction, discovery, and confirmation of record high temperature superconductivity above 200K in H$_3$S, followed by the 2018 extension to superconductivity in the 250-280K range in lanthanum hydride, marks a new era in the…

Superconductivity · Physics 2019-11-13 Yundi Quan , Soham S. Ghosh , Warren E. Pickett

Thermal energy storage (TES) is increasingly recognized as an essential component of efficient Combined Heat and Power (CHP), Concentrated Solar Power (CSP), Heating Ventilation and Air Conditioning (HVAC), and refrigeration as it reduces…

Fluid Dynamics · Physics 2020-09-23 Kedar Prashant Shete , S. M. de Bruyn Kops , Dragoljub , Kosanovic
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