相关论文: Solid state phase transformation kinetics in Zr-ba…
We study the influence of the surface orientation on the wetting behavior of bcc binary alloys, using a semi-infinite lattice model equivalent to a nearest-neighbor Ising antiferromagnet in an external field. The salient feature of the…
The variation in local atomic structure and chemical bonding of ZrHx (x=0.15, 0.30, 1.16) magnetron sputtered thin films are investigated by Zr K-edge (1s) X-ray absorption near-edge structure and extended X-ray absorption fine structure…
A mathematical model has been developed to simulate the kinetic and thermal behaviour of a porous solid pellet undergoing chemical reaction with a gas. The model describes the chemical reaction itself, the transfer of the gaseous species…
Two novel room-temperature phase transitions are observed, via synchrotron x-ray diffraction and Raman spectroscopy, in the Pb(Zr0.52Ti0.48)O3 alloy under hydrostatic pressures up to 16 GPa. A monoclinic (M)-to-rhombohedral (R1) phase…
We report heat capacity measurements of SrCu$_2$(BO$_3$)$_2$ under high pressure along with simulations of relevant quantum spin models and map out the $(P,T)$ phase diagram of the material. We find a first-order quantum phase transition…
Available simulation methods, suitable to describe solid-solid phase transitions occurring upon increasing of presssure and/or temperature, are based on empirical interatomic potentials: this restriction reduces the predictive power, and…
We specify a tractable transport model with thermodynamic properties close to those expected for the strongly interacting matter. In particular, at high temperatures, the matter undergoes a phase transition, such as to the quark-gluon…
Zr-based AB2-Laves phase type alloys containing the same type of A and B metals, have been prepared from pure elements by melting and subsequent re-melting under argon atmosphere by using a HF-induction levitation furnace. Characterization…
Electrocatalysis is a catalytic process where the rate of an electrochemical reaction occurring at the electrode-electrolyte interface can be controlled by varying the electrical potential. Electrocatalysis can be applied to generate…
The atomic scale dynamics of halide perovskites have a direct impact not only on their thermal stability but their optoelectronic properties. Progress in machine learned potentials has only recently enabled modeling the finite temperature…
In the last two decades, many phase-field models for solid-state sintering have been published. Two groups of models have emerged, with and without the contribution of rigid body motion. This paper first describes the previously published…
We consider a variety of nearest-neighbor spin models defined on the d-dimensional hypercubic lattice Z^d. Our essential assumption is that these models satisfy the condition of reflection positivity. We prove that whenever the associated…
Under heating, $\alpha$-AlF$_3$ undergoes a structural phase transition from rhombohedral to cubic at temperature $T$ around 730 K. The density functional method is used to examine the $T$=0 energy surface in the structural parameter space,…
Samples of series Bi1.6Pb0.4Sr2Ca2Cu3-xZnxO10 with x = 0.0, 0.015, 0.03, 0.06, 0.09 and 0.12 are synthesized by solid-state reaction route. All the samples crystallize in tetragonal structure with majority (> 90%) of Bi-2223…
Here we report extensive ultrafast time-resolved reflectivity experiments on overdoped Bi$_{2}$Sr$_{2}$Ca$_{1-x}$Y$_x$Cu$_{2}$O$_{8+\delta}$ single crystals (T$_C$=78 K) aimed to clarify the nature of the superconducting-to-normal-state…
We develop a thermodynamically consistent chemo-thermo-mechanical model for the $\beta\rightarrow\delta$ phase transition of energetic HMX crystals. In contrast to previous models, which either considered specific heat to be a constant or…
Lattice dynamical methods used to predict phase transformations in crystals typically deal with harmonic phonon spectra and are therefore not applicable in important situations where one of the competing crystal structures is unstable in…
Amorphous complexions in nanocrystalline metals have the potential to improve mechanical properties and radiation tolerance, as well as resistance to grain growth. In this study, the stability of amorphous complexions in binary and ternary…
A general spin-state model and a qualitative physical picture have been proposed for a class of lately synthesized layered cobalt oxides (LCOs) by means of density functional calculations. As the plane corrugation of the cobalt-oxygen layer…
The simple cubic spin-1 Ising (BEG) model exhibits the ferromagnetic (F) - ferromagnetic (F) phase transition at low temperature region for the interval 1.40<d=D/J<1.48 at k=K/J=-0.5. The degree of the F-F phase transtion determines the…