Related papers: Simulation of structural phase transitions in NiTi
We investigate the controlled K-type breakdown of a flat-plate boundary-layer with highly non-ideal supercritical fluid at a reduced pressure of $p_{r,\infty}=1.10$. Direct numerical simulations are performed at a Mach number of…
Binary Ni$_{62}$Nb$_{38}$ alloy belongs to the unique class of binary off-eutectic systems, which are able to form a bulk glassy state [L. Xia et al., J. Appl. Phys. 99 (2006) 026103]. In the present work, the ($p$, $T$) phase diagram of…
We report the effects of lattice dynamics on thermodynamic stability of binary $R_{1-x}$Fe$_x$ $(0<x<1)$ compounds ($R$: rare-earth elements, Y, Ce, Nd, Sm, and Dy) at finite temperature predicted by first-principles calculation based on…
The melting and crystallization of Al50Ni50} are studied by means of molecular dynamics computer simulations, using a potential of the embedded atom type to model the interactions between the particles. Systems in a slab geometry are…
The saturated state of turbulence driven by the ion-temperature-gradient instability is investigated using a two-dimensional long-wavelength fluid model that describes the perturbed electrostatic potential and perturbed ion temperature in a…
A combination of experiments and numerical modeling was used to study the spatial evolution of the ferromagnetic phase transition in a thin film engineered to have a smooth gradient in exchange strength. Mean-field simulations predict, and…
The crystallization of a binary system is investigated in computer model which takes into account a temperature dependence of diffusion coefficient and a nonequilibrium partition of dissolved component of the alloy. The dependence of…
We study finite temperature properties of a generic spin-orbital model relevant to transition metal compounds, having coupled quantum Heisenberg-spin and Ising-orbital degrees of freedom. The model system undergoes a phase transition,…
We study the quantum fidelity approach to characterize thermal phase transitions. Specifically, we focus on the mixed-state fidelity induced by a perturbation in temperature. We consider the behavior of fidelity in two types of second-order…
One may predict a quasicrystal structure starting from electrons and quantum mechanics, as approximated by interatomic pair potentials calibrated with ab-initio total-energy calculations, combined with the experimentally known composition…
On cooling through a temperature $T_S$ of around 324 K, Ta$_2$NiSe$_5$ undergoes a transition from a semimetallic state to one with a gapped electronic spectrum which is suspected to be an excitonic insulator. However, at this transition…
Icosahedral quasicrystals spontaneously form from the melt in simulations of Al--Cu--Fe alloys. We model the interatomic interactions using oscillating pair potentials tuned to the specific alloy system based on a database of density…
We investigate the pressure-temperature ($p$-$T$) phase diagram of elemental lithium (Li) up to multiterapascal (TPa) pressures using ab-initio random structure search (AIRSS) and density functional theory (DFT). At zero temperature, beyond…
In the field of rehabilitation and neuroscience shape memory alloys play a crucial role as lightweight actuators. Devices are exploiting the shape memory effect by transforming heat into mechanical work. In rehabilitation applications,…
The work presents a thermomechanical model for polycrystalline NiTi-based shape memory alloys developed within the framework of generalized standard solids, which is able to cover loading-mode dependent localization of the martensitic…
Using the self-consistent field approximation, the static concentration waves approach and the Onsager-type kinetics equations, the descriptions of both the statistical thermodynamics and the kinetics of an atomic ordering of D019 phase are…
The quantum antiferromagnetic spin-1/2 Ising model on a triangular lattice and analogous fully frustrated Ising model on a square lattice with quantum fluctuations induced by the application of the transverse magnetic field are studied at…
Novel physical mechanism is proposed for explanation of temperature-independent transition reactions in molecular systems. The mechanism becomes effective in the case of conformation transitions between quasi-isoenergetic molecular states.…
Motivated by the physics of coherently coupled, ultracold atom-molecule mixtures, we investigate a classical model possessing the same symmetry -- namely a $U(1)\times \mathbb{Z}_2$ symmetry, associated with the mass conservation in the…
We investigate the relationship between ground-state (zero-temperature) quantum phase transitions in systems with variable Hamiltonian parameters and classical (temperature-driven) phase transitions in standard thermodynamics. An analogy is…