Related papers: Quantum-corrected thickness-dependent thermal cond…

Mechanochemically synthesized amorphous 50SISOMO [50AgI-25Ag_2O-25MoO_3] fast ionic conductor shows high ionic conductivity of ~ 6x10^-3 {\Omega}^-1 cm-1 at room temperature. The highest ionic conductivity is achieved for 36 h milled…

The existence of net flux across the nanochannels under the asymmetrical static electric fields obtained at room temperature from molecular dynamics (MD) simulations [Nat. Nanotechnol. 2, 709 (2007); Phys. Rev. Lett. 101, 064502 (2008)] has…

The half-Heusler compound has drawn attention in a variety of fields as a candidate material for thermoelectric energy conversion and spintronics technology. This is because it has various electronic structures, such as semi-metals,…

With their unique combination of characteristics - an energy density almost 100 times that of human muscle, and a power density of 5.3 kW/kg, similar to a jet engine's output - Nylon artificial muscles stand out as particularly apt for…

In this work, we use a combination of first-principles calculations under the density functional theory framework and heat transport simulations using the atomistic Green's function (AGF) method to quantitatively predict the contribution of…

We present a new method for calculating the temperature profile in high explosive (HE) material using a Convolutional Neural Network (CNN). To train/test the CNN, we have developed a hybrid experiment/simulation method for collecting…

While there are several methods, e.g., anharmonic lattice dynamics and normal mode decomposition, to compute the modal lattice vibrational information in perfect crystals, the modal information of vibrations, e.g., vibrational relaxation…

Covalent amorphous semiconductors, such as amorphous silicon (a-Si) and germanium (a-Ge), are commonly believed to have localized electronic states at the top of the valence band and the bottom of the conduction band. Electrical…

Aluminum-Copper (Al-Cu) alloys are essential materials for weight reduction critical structures in the aerospace and automotive industries, yet achieving their maximum ultrahigh-strength potential remains limited by nanoscale defect control…

Complex AC-conductance, $\sigma^{AC}$, in the systems with dense Ge$_{0.7}$Si$_{0.3}$ quantum dot (QD) arrays in Si has been determined from simultaneous measurements of attenuation, $\Delta\Gamma=\Gamma(H)-\Gamma(0)$, and velocity, $\Delta…

We use the quantum Monte Carlo (QMC) techniques to calculate the static structure function $S(q)$ of a one-component ion lattice and use it to calculate the thermal conductivity $\kappa$ of high-density solid matter expected in the neutron…

The paper presents an $ab$ $initio$ study of temperature-induced nanostructural evolution of hydrogen-rich voids in amorphous silicon. By using large $a$-Si models, obtained from classical molecular-dynamics simulations, with a realistic…

Superconductors are known to be excellent thermal insulators at low temperature owing to the presence of the energy gap in their density of states (DOS). In this context, the superconducting \textit{proximity effect} allows to tune the…

Si hyperdoped with chalcogens (S, Se, Te) is well-known to possess unique properties such as an insulator-to-metal transition and a room-temperature sub-bandgap absorption. These properties are expected to be sensitive to a post-synthesis…

Silicon nanocrystals (Si NCs) have shown great promise for electroluminescent and photoluminescent applications. In order to optimize the properties of Si NC devices, however, electronic transport in Si NCs films needs to be thoroughly…

In aluminium electrolysis cells, a ledge of frozen electrolyte is formed, attached to the sides of the cell. The control of the side ledge thickness is essential in ensuring a reasonable lifetime for the cells. Numerical modelling of the…

Nontrivial bulk topological invariants of quantum materials can leave their signatures on charge, thermal and spin transports. In two dimensions, their imprints can be experimentally measured from well-developed multiterminal Hall bar…

The thermal conductivity of isotopically enriched 28Si (enrichment better than 99.9%) was redetermined independently in three laboratories by high precision experiments on a total of 4 samples of different shape and degree of isotope…

Silicon carbide (SiC) is an important technological material, but its high-temperature phase diagram has remained unclear due to conflicting experimental results about congruent versus incongruent melting. Here, we employ large-scale…

Atomically precise donor-based quantum devices are a promising candidate for scalable solid-state quantum computing. Atomically precise design and implementation of the tunnel coupling in these devices is essential to realize gate-tunable…