相关论文: Solid state phase transformation kinetics in Zr-ba…
Half-Heusler (HH) phases have garnered much attention as thermally stable and non-toxic thermoelectric materials for power conversion. The most studied alloys to date utilize Hf, Zr, and Ti as the base components. These alloys can achieve a…
We use multi-scale modeling to analyze laser-induced fluorescence (LIF) measurements of the CO oxidation reaction over Pd(100) at near-ambient reaction conditions. Integrating density-functional theory based kinetic Monte Carlo simulations…
$\alpha$ decay is one of the prominent decay modes in the nucleosynthesis of heavy and super-heavy elements synthesized at temperatures of the order of Giga Kelvin. To facilitate the investigation of the role played by the $\alpha$ decay…
In this work we present an experimental study of structure and phase stability in ternary Cu-Sn-In alloys around 55 at.% Cu in the temperature range 100^{\circ}C < T < 550^{\circ}C. We have followed in real-time the sequence of phase…
This research has been conducted to characterize and validate the resistive heating as a synthesis method for zirconium oxides (ZrO$_2$). A wire of Zr has been oxidized to form a core shell structure, in which the core is the metal wire,…
The high strength of structural aluminium alloys depends strongly on the controlled precipitation of specific intermetallic phases, whose identity and crystal structure can be difficult to predict. Here, we investigate the Al-Pt system,…
We investigate superconductivity in a two-dimensional material described by a two-band heavy-fermion model, where hybridization between a dispersive band and a flat band introduces a quasi-flat dispersion to the otherwise localized…
Zirconia (ZrO2) has emerged as a promising technical ceramic, both as high temperature structural material and thermal barrier coating material, etc. The traditional synthesis of ZrO2 with spark plasma sintering (SPS) usually requires a…
A recent experiment [K. H. Kim, et al., Science 370, 978 (2020)] showed that it may be possible to detect a liquid-liquid phase transition (LLPT) in supercooled water by subjecting high density amorphous ice (HDA) to ultrafast heating,…
Specific heat measurements show that the introduction of amorphous columnar defects considerably affects the transition from the normal to the superconducting state in zero magnetic field. Experimental results are compared to numerical…
The design of next generation \beta-type titanium implants requires detailed knowledge of the relevant stable and metastable phases at temperatures where metallurgical heat treatments can be performed. Recently, a standard specification for…
Samples of Y0.4Pr0.6Ba2-xSrxCu3O7 have been synthesized by a solid- state reaction route. The samples with x = 0.60 crystallize in an orthorhombic structure (with orthorhombic distortion decreasing with increasing x), while the samples with…
Special role in computer simulations of supercooled liquid and glasses is played by few general models representing certain classes of real glass-forming systems. Recently, it was shown that one of the most widely used model glassformers --…
The dynamics and thermodynamics of phase transition in hot nuclei are studied through experimental results on multifragmentation of heavy systems (A>200) formed in central heavy ion collisions. Different signals indicative of a phase…
We describe an empirical, self-consistent, orthogonal tight-binding model for zirconia, which allows for the polarizability of the anions at dipole and quadrupole levels and for crystal field splitting of the cation d orbitals. This is…
A two-dimensional fluid model is used to investigate the electron heating dynamics and the production of neutral species in a capacitively coupled radio-frequency micro atmospheric pressure helium plasma jet -- specifically the COST jet --…
The thermodynamical stability of ${\rm Al(BH_4)_3}$ has been investigated using first-principles calculations based on density functional theory. The heats of formation are obtained to be -132 and $-131 {\rm kJ/mol}$ without the zero-point…
Phase diagram of solid solutions of antiferroelectric and ferroelectric materials like PbZr$_{1-x}$Ti$_x$O$_3$ (PZT), Rb$_x$(NH$_4$)$_{1-x}$H$_2$PO$% _4$ (RADP) is calculated at the region $x\leq 0.1$. Antiferroelectric and ferroelectric…
In this paper, a double multiple-relaxation-time lattice Boltzmann model is developed for simulating transient solid-liquid phase change problems in porous media at the representative elementary volume scale. The model uses two different…
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…