相关论文: Predicting synthesis window of beta-TaON with ther…
This work deals with numerical simulation of water freezing and thawing in a complex three-dimensional geometry of a porous medium. The porous structure is represented by a virtual container filled with glass beads. Phase transition…
Particle and photon production is analyzed in the presence of transverse flow using two approximations to describe the properties of the hadronic medium, one containing only $\pi, \rho, \omega$, and $\eta$ mesons (simplified equation of…
Since the discovery of topological insulators, many topological phases have been predicted and realized in a range of different systems, providing both fascinating physics and exciting opportunities for devices. And although new materials…
Crystal and electronic structure, lattice dynamics and thermodynamic stability of little known mixed valent diamagnetic AgIAgIIIF4 beta form of AgF2 is thoroughly examined for the first time and compared with well known antiferromagnetic…
FAPbI$_3$ is a material of interest for its potential in solar cell applications, driven by its remarkable optoelectronic properties. However, the low-temperature phase of FAPbI$_3$ remains poorly understood, with open questions surrounding…
The controllable synthesis of iron oxides particles is a critical issue for materials science, energy storage, biomedical applications, environmental science, and earth science. However, synthesis of iron oxides with desired phase and size…
We introduce the phase model on a lattice and solve it using the algebraic Bethe ansatz. Time-dependent temperature correlation functions of phase operators and the "darkness formation probability" are calculated in the thermodynamical…
Understanding phase diagrams is essential for material selection and design, as they provide a comprehensive representation of the thermodynamics of mixtures. This work delivers a broad and systematic overview of possible ternary phase…
An elastic-visco-plastic thermomechanical model for the simulation of cold forming and subsequent sintering of ceramic powders is introduced and based on micromechanical modelling of the compaction process of granulates. Micromechanics…
A diene-transmissive hetero-Diels-Alder strategy, grounded in previous experimental works and employing boronated dienophiles, is proposed for the synthesis of boron-bearing octahydroquinolines. To assess its feasibility, three…
While several studies confirmed that machine-learned potentials (MLPs) can provide accurate free energies for determining phase stabilities, the abilities of MLPs for efficiently constructing a full phase diagram of multi-component systems…
This work deals with the inference of catalytic recombination parameters from plasma wind tunnel experiments for reusable thermal protection materials. One of the critical factors affecting the performance of such materials is the…
Photothermal (photonic) sintering crystallizes as-deposited amorphous LiCoO2 (LCO) cathodes for solid-state thin-film batteries using millisecond, surface-localized heating. However, process design often relies on 1D models with…
We present an ab-initio study of boron nitride as well as carbon allotropes. Their relative thermodynamic stabilities and structural phase transitions from low- to high-density phases are investigated. Pressure-temperature phase diagrams…
We compute the photon production of a QCD plasma at leading order in the strong coupling with a finite baryon chemical potential. Our approach starts from the real time formalism of finite temperature field theory. We identify the class of…
The accurate prediction of phase diagrams is of central importance for both the fundamental understanding of materials as well as for technological applications in material sciences. However, the computational prediction of the relative…
X-ray diffraction, UV-vis absorption and photoluminescence (PL) spectroscopy have been used to study the well-known order-disorder transition (ODT) to the beta phase in poly(9,9-(di n,n-octyl)fluorene)) (PF8) thin film samples through…
For practical superconducting quantum processors, orders of magnitude improvement in coherence is required, motivating efforts to optimize hardware design and explore new materials. Among the latter, the coherence of superconducting…
FePt/Fe3O4 nanoparticles can be used as building blocks to obtain, upon thermal annealing, magnetic nanocomposites with combined magnetic properties. Although the pre- and post-annealed samples are usually well characterized, a detailed…
Sodium-ion batteries have gained much interest over the past years and especially layered oxides are highly considered as cathodes for the next generation of batteries. However, there are still significant challenges to overcome in these…