Related papers: Classical potential describes martensitic phase tr…
Martensitic transformations are strain driven displacive transitions governing the mechanical and physical properties in intermetallic materials. This is the case in Ni$_2$MnGa, where the martensite transition is at the heart of the…
Nanoprecipitates form during nucleation of multiphase equilibria in phase segregating multicomponent systems. In spite of their ubiquity, their size-dependent physical chemistry, in particular at the boundary between phases with…
To understand how martensitic transformation (MT) in polycrystalline NiTi shape memory alloy (SMA) proceeds under external stress, we evaluated recoverable transformation strains and plastic strains generated by the forward MT in…
Different modern phase shift equivalent NN potentials are tested by evaluating the partial wave decomposition of the kinetic and potential energy of the deuteron. Significant differences are found, which are traced back to the matrix…
We revisit the quantum phase transition from a paraelectric state to a ferroelectric one and in particular the widespread distinction between a longitudinal modes to transverse one. In contrast to transitions at finite temperature, for a…
I consider infinitesimal translations $x'^{\alpha}=x^{\alpha}+\delta x^{\alpha}$ and demand that Noether's approach gives a symmetric electromagnetic energy-momentum tensor as it is required for gravitational sources. This argument…
We suggest a new mean field method for studying the thermodynamic competition between magnetic and superconducting phases in a two-dimensional square lattice. A partition function is constructed by writing microscopic interactions that…
We are interested in the energetic cost of a martensitic inclusion of volume $V$ in austenite for the cubic-to-tetragonal phase transformation. In contrast with the work of [Kn\"upfer, Kohn, Otto: Comm. Pure Appl. Math. 66 (2013), no. 6,…
This paper reports a numerical study of complex classical trajectories of a particle in an elliptic potential. This study of doubly-periodic potentials is a natural sequel to earlier work on complex classical trajectories in trigonometric…
Classical phase transitions, like solid-liquid-gas or order-disorder spin magnetic phases, are all driven by thermal energy fluctuations by varying the temperature. On the other hand, quantum phase transitions happen at absolute zero…
The accuracy of molecular simulations is fundamentally limited by the interatomic potentials that govern atomic interactions. Traditional potential development, which relies heavily on ab initio calculations, frequently struggles to…
Superelastic NiTi 1 shape memory alloy (SMA) wire was subjected to thermomechanical loading tests in tension to evaluate stress and temperature conditions under which the wire deforms plastically. Although the alloy demonstrated a very high…
In this paper, the finite volume method is developed to analyze coupled dynamic problems of nonlinear thermoelasticity. The major focus is given to the description of martensitic phase transformations essential in the modelling of shape…
The phase stability and transformation between hexagonal close-packed (hcp) {\alpha}-phase and body-centered cubic (bcc) \b{eta}-phase in titanium (Ti) alloys are critical to their mechanical properties and manufacturing processes for…
We calculate the phase space volume $\Omega$ occupied by a nonextensive system of $N$ classical particles described by an equilibrium (or steady-state, or long-term stationary state of a nonequilibrium system) distribution function, which…
We propose a method to probe the nature of phase transitions in lattice QCD at finite temperature and density, which is based on the investigation of an effective potential as a function of the average plaquette. We analyze data obtained in…
In the thermodynamics of nanoscopic systems the relation between classical and quantum mechanical description is of particular importance. To scrutinize this correspondence we study an anharmonic oscillator driven by a periodic external…
The charge transfer and polarization effects are important components in the molecular mechanism description of bio-molecules. Classical force field with fixed point charge cannot take into the account of the non-negligible correlation…
Structural phase transitions serve as the basis for many functional applications including shape memory alloys (SMAs), switches based on metal-insulator transitions (MITs), etc. In such materials, lattice incompatibility between phases…
The high-temperature cubic-tetragonal phase transition of pure stoichiometric zirconia is studied by molecular dynamics (MD) simulations and within the framework of the Landau theory of phase transformations. The interatomic forces are…