相关论文: Predicting synthesis window of beta-TaON with ther…
This study investigates 198 MX5Y5 (X, Y = B, C, or N) clathrate-like structures derived from MH10 superhydrides using high-throughput Density Functional Theory (DFT) geometry optimizations and phonon calculations. A wide variety of…
Experimental realizations of a variety of atomic binary Bose-Fermi mixtures have brought opportunities for studying composite quantum systems with different spin-statistics. The binary atomic mixtures can exhibit a structural transition…
Phase diagrams chart material properties with respect to one or more external or internal parameters such as pressure or magnetisation; as such, they play a fundamental role in many theoretical and applied fields of science. In this work,…
We study thermal axion production around the confinement scale. At higher temperatures, we extend current calculations to account for the masses of heavy quarks, whereas we quantify production via hadron scattering at lower temperatures.…
The advancement of 3D-printing opens up a new way of constructing affordable custom terahertz (THz) components due to suitable printing resolution and THz transparency of polymer materials. We present a way of calculating, designing and…
Thermodynamics analysis of oxidation-reduction reactions between metal melt and slag (1) provides answers to certain practical issues such as the path of specific chemical reactions, final (equilibrium) phase composition, and the elements…
We report experimental discovery of tantalum polyhydride superconductor. It was synthesized at high pressure and high temperature conditions using diamond anvil cell combined with in-situ high pressure laser heating techniques. The…
The phase diagram of the lithium niobate and lithium tantalate solid solutions was investigated using experimental data from differential thermal analysis (DTA) and crystal growth. We used XRF analysis to determine the elemental composition…
Microcanonical statistics can be well applied to non-extensive systems like nuclei, atomic clusters and systems at phase transitions of first order with inhomogeneous configurations like phase separation. No thermodynamic limit has to be…
Topological materials hold great promise for developing next-generation devices with transport properties that remain resilient in the presence of local imperfections. However, their susceptibility to thermal noise has posed a major…
We show that, in general, any complex weakly nonlinear highly multimode system can reach thermodynamic equilibrium that is characterized by a unique temperature and chemical potential. The conditions leading to either positive or negative…
The search for thin film electro-optic (EO) materials that can retain superior performance under cryogenic conditions has become critical for quantum computing. Barium titanate thin films show large linear EO coefficients in the tetragonal…
Recent theoretical predictions hint at an implementation of a superradiant laser based on narrow optical clock transitions by using a filtered thermal beam at high density. Corresponding numerical studies give encouraging results but the…
An additive manufacturing (AM) process, like laser powder bed fusion, allows for the fabrication of objects by spreading and melting powder in layers until a freeform part shape is created. In order to improve the properties of the material…
At present, many laboratories are performing experiments to simulate theoretical models of strongly correlated systems using cold atoms in optical lattices, a program referred to as "Quantum Simulation". It is hoped that these experiments…
Boron nitride (BN) is an exceptional material and among its polymorphs, two-dimensional (2D) hexagonal and three-dimensional (3D) cubic BN (h-BN and c-BN) phases are most common. The phase stability regimes of these BN phases are still…
Sintering of alumina nanoparticles is of interest both from the view of fundamental research as well as for industrial applications. Atomistic simulations are tailor-made for understanding and predicting the time- and temperature-dependent…
In the present work we have proposed the method that allows one to easily estimate hardness and bulk modulus of known or hypothetical solid phases from the data on Gibbs energy of atomization of the elements and corresponding covalent…
Polymer-derived ceramics combine the thermal stability of ceramics with the versatile properties of carbon domains, but modeling their atomic-scale evolution during processing remains elusive due to the limitations of traditional…
We present experimental constraints on the insertion of oxygen atoms into methane to form methanol in astrophysical ice analogs. In gas-phase and theoretical studies this process has previously been demonstrated to have a very low or…