Results 51 to 60 of about 20,207 (328)

Modelling the Defect Processes of Materials for Energy Applications

Applied Sciences, 2022
The technological requirement for ever more efficient materials for the energy and electronics sectors has led to the consideration of numerous compositionally and structurally complicated systems. These systems include solid solutions that are difficult
Efstratia N. Sgourou, Aspassia Daskalopulu, Ioannis Goulatis, Yerassimos Panayiotatos, Andrei L. Solovjov, Ruslan V. Vovk, Alexander Chroneos   +6 more
doaj   +1 more source

Nowcasting of a supercell storm with VERA [PDF]

Meteorology and Atmospheric Physics, 2008
On 13th May 2003, a severe weather event took place in Vienna, located in the eastern part of Austria at the foothills of the Alps. A supercell storm was reported by storm chasers, including a tornado, large hail and flash floods due to heavy precipitation, causing damage to both people and to goods in parts of Vienna downtown, which is a rather rare ...
Schneider, Stefan, Chimani, Barbara, Kaufmann, Hildegard, Bica, Benedikt, Lotteraner, Christoph, Tschannett, Simon, Steinacker, Reinhold   +6 more
openaire   +1 more source

Modeling of Hydrogen Atom Adsorption and Diffusion in Ti₃Sb Intermetallic Crystal with A15 Cubic Structure

Surfaces
For the first time, the adsorption of hydrogen on the (110) surface of the A15 Ti3Sb compound with a cubic structure (Cr3Si type; space group Pm3¯n) for the accumulation of hydrogen H was calculated using the density functional theory method (DFT SGGA ...
Salim M. Asadov, Solmaz N. Mustafaeva, Saida O. Mammadova   +2 more
doaj   +1 more source

Amphoteric Cu‐Doping Leading to High Thermoelectric Performance in p‐Type Bismuth Antimony Telluride

Advanced Functional Materials, EarlyView.
This study shows that Cu plays two opposite roles in p‐type Bi0.5Sb1.5Te3 depending on the processing route. Under thermodynamic‐equilibrium bulk‐synthesis, Cu mainly occupies cation sites, increases hole concentration, preserves mobility, and slightly reduces lattice heat transport. The best‐performing composition among the investigated series reaches
Moritz Thiem, Zhiyuan Li, Minsu Heo, Fangyi Hu, Tian Lan, Youngdeog Koh, Ruiwen Xie, Chuanmu Tian, Marc Widenmeyer, Hyun‐Sik Kim, Jan P. Hofmann, Yuan Yu, Hongbin Zhang, Anke Weidenkaff, G. Jeffrey Snyder, Wenjie Xie   +15 more
wiley   +1 more source

Amorphizing non-cubic structures of carbon. The case of rhombohedral and hexagonal crystalline supercells

, 2004
We have recently developed a procedure to amorphize structures of some semiconducting elements starting from cubic supercells. This procedure includes the use of an ab initio computer code based on the Harris functional, 64 or 216 atoms in the originally
Mata, Z, Barron, H, Valladares, RM, Romero, C, Alvarez, F, Lozano, M, Valladares, AA   +6 more
core   +1 more source

ZDR Arc Area and Intensity as a Precursor to Low Level Rotation in Supercells

, 2023
 It has been hypothesized that some measurable properties of $Z_{DR}$ arcs in supercells may change in the minutes prior to tornadogenesis and tornadogenesis failure, and that $Z_{DR}$ arc area will change with SRH and can be used as a real-time proxy to
Allison Lafleur (15353692)
core   +2 more sources

Stabilization of Strongly Reduced Fe(I) Single Atom Species Coordinated in a 2D Self‐Assembled Metal–Organic Network

Advanced Functional Materials, EarlyView.
A graphene‐supported 2D metal–organic network stabilizes highly reactive Fe(I)‐N4 single sites through Co‐induced charge redistribution. Combined experiments and theory reveal Fe(I) formation, oxygen‐driven oxidation, and O2 activation mechanisms, offering a strategy to access low‐valent iron centers relevant to catalytic and biological processes ...
Alessandro Namar, Basant Roondhe, Michela De Col, Stefania Baronio, Matteo Jugovac, Mattia Scardamaglia, Eleanor Frampton, Nikolay Vinogradov, Paolo Giannozzi, Erik Vesselli   +9 more
wiley   +1 more source

Ab Initio Thermoelectric Transport Calculations of Alloyed Half-Heuslers. [PDF]

Adv Sci (Weinh)
The effect of alloying on the electronic transport of half‐Heusler thermoelectric materials is explored using a fully ab initio approach. A novel method is developed that combines calculations of alloyed supercells with Boltzmann transport, considering the full energy and momentum dependent scattering processes from first principles extracted ...
Kumar A, Sahni B, Neophytou N.
europepmc   +2 more sources

Strategies of Supercell’s Success

Proceedings of Business and Economic Studies, 2021
Supercell, known as video game company, that is the best at making money, had developed a value of over 10 billion dollars by running only 5 games. All of their games earned more than a billion dollars with over one billion downloads in total. There must be a lot worth studying their strategies.
openaire   +2 more sources

Role of Structural Disorder on Phonon Transport and Thermal Conductivity in Li6PS5Br

Advanced Functional Materials, EarlyView.
Solid electrolytes are fast ion and slow heat conductors. Although both transport properties are governed by lattice dynamics and atomic structure, their interplay remains poorly understood. Here, we study this interrelation in anion‐ordered and disordered Li6PS5Br.
Lukas Ketter, Ryoma Sasaki, Kyra Strotmann, Wolfgang G. Zeier, Yoshitaka Tateyama   +4 more
wiley   +1 more source