Related papers: Dynamic Simulation of Structural Phase Transitions…
The pressure induced bcc to hcp transition in Fe has been investigated via ab-initio electronic structure calculations. It is found by the disordered local moment (DLM) calculations that the temperature induced spin fluctuations result in…
The decomposition of Fe-Cr solid solutions during thermal aging is modeled by Atomistic Kinetic Monte Carlo (AKMC) simulations, using a rigid lattice approximation with composition dependant pair interactions that can reproduce the change…
We simulate structure in the vicinity of different size nanovoids using a new variant of the Molecular Statics, wherein atomic structure in the vicinity of nanovoids and the parameters that define the displacements of atoms placed in…
The relation between three-dimensional lattice structure and magnetism in correlated electron systems is explored for face centered cubic (FCC), body centered cubic (BCC), and simple cubic (SC) lattices. In particular, we question which…
We study the magnetic phases of a non-equilibrium spin chain, where coherent interactions between neighboring lattice sites compete with alternating gain and loss processes. This competition between coherent and incoherent dynamics induces…
In a system of interacting thin rigid rods of equal length $2 \ell$ on a two-dimensional grid of lattice spacing $a$, we show that there are multiple phase transitions as the coupling strength $\kappa=\ell/a$ and the temperature are varied.…
The emergent dynamical processes associated with magnetic excitations in heavy-fermion SmB$_6$ are investigated. By imposing multiorbital interactions on a first-principles model, we find the interplay between spin and orbital fluctuations…
In this work, we study a biquadratic Heisenberg model with coupled orbital degree of freedom using Monte Carlo simulation in order to investigate the phase transitions in iron-based superconductors. The antiferro-quadrupolar state, which…
The dynamics of magnetization and energy densities are studied in the two-leg spin-1/2 ladder. Using an efficient pure-state approach based on the concept of typicality, we calculate spatio-temporal correlation functions for large systems…
Two known distinct examples of one-dimensional systems which are known to exhibit a phase transition are critically examined: (A) a lattice model with harmonic nearest-neighbor elastic interactions and an on-site Morse potential, and (B)…
The Dirac oscillator in a homogenous magnetic field exhibits a chirality phase transition at a particular (critical) value of the magnetic field. Recently, this system has also been shown to be exactly solvable in the context of…
We describe magneto-, baro- and elastocaloric effects (MCEs, BCEs and eCEs) in materials which possess both discontinuous (first-order) and continuous (second-order) magnetic phase transitions. Our ab initio theory of the interacting…
Atomistic simulations are employed to demonstrate the existence of a well-defined thermodynamic phase transformation between grain boundary (GB) phases with different atomic structures. The free energy of different interface structures for…
In the prevalent picture of ultrafast structural phase transitions, the atomic motion occurs in a slowly varying potential energy surface determined adiabatically by the fast electrons. However, this ignores non-conservative forces caused…
We measured the rectification of an ac voltage in a structure of superconducting circularly-asymmetric aluminum rings in series, permeated with a magnetic flux and biased with a low-frequency alternating current (without a dc component).…
We have developed a new and user-friendly interface energy calculation method that avoids problems deriving from numerical differences between bulk and slab calculations, such as the number of k points along the direction perpendicular to…
Magnetic friction is a form of non-contact friction arising from the dissipation of energy in a magnet due to spin reorientation in a magnetic field. In this paper we study magnetic friction in the context of micromagnetics, using our…
Magnetocaloric effect (MCE) in TbCo2-xFex has been studied by dc magnetization measurements.On substituting Fe in TbCo2, not only the magnetic transition temperature is tuned to room temperature, but also the operating temperature range for…
The temperature dependence of thermodynamic and mechanical properties of six fcc transition metals (Ni, Cu, Ag, Au, Pt, Rh) and the alloying behavior of Ag-Au and Cu-Ni are studied using molecular dynamics (MD). The structures are described…
It is investigated theoretically that magnetized Bose-Einstein condensation (BEC) with the internal (spin) degrees of freedom exhibits a rich variety of phase transitions, depending on the sign of the interaction in the spin channel. In the…