Related papers: Classical potential describes martensitic phase tr…
In the present paper we generalised a phenomenological model developed in \cite{gomo:2005} for the description of magnetostructural phase transitions and related peculiarities of elastic properties in solid oxygen under high pressure and/or…
GeTe is a prototypical phase change material of high interest for applications in optical and electronic non-volatile memories. We present an interatomic potential for the bulk phases of GeTe, which is created using a neural network (NN)…
We consider the thermodynamic potential describing the macroscopic fluctuation of the current and local energy of a general class of Hamiltonian models including aerogels. We argue that this potential is neither analytic nor strictly…
In a magnetic shape memory alloy system, we vary composition following phenomenological arguments to tune macroscopic properties. We achieve significantly higher shift in austenite to martensitic phase transition temperature with magnetic…
The Hamiltonian dynamics of the classical $\phi^4$ model on a two-dimensional square lattice is investigated by means of numerical simulations. The macroscopic observables are computed as time averages. The results clearly reveal the…
This paper reviews the status of molecular dynamics as a method in describing solid-solid phase transitions, and its relationship to continuum approaches. Simulation work done in NiTi and Zr using first principles and semi-empirical…
The study of the quantum to classical transition is of fundamental as well as technological importance, and focusses on mesoscopic devices, with a size for which either classical physics or quantum physics can be brought to dominate. A…
The corrosion property of Nickel-titanium (NiTi) shape memory alloy is investigated during forward martensitic transformation between 40C and 0C. The Differential Scanning Calorimetry technique is used to find the forward and reverse…
In the present article explicit expressions for the decay rate and energy level shifts of an atom in the presence of an ideal conducting wedge, two parallel plates and a half-sheet are obtained in the frame work of the canonical…
Using a variational model based on non-linear elasticity we investigate whether in a cubic-to-tetragonal phase transformation it is energetically preferable to nucleate martensite within austenite. Under minimal growth assumptions on the…
We construct a fast, transferable, general purpose, machine-learning interatomic potential suitable for large-scale simulations of $N_2$. The potential is trained only on high quality quantum chemical molecule-molecule interactions, no…
Due to a rapid change of the entropy density $s(T)$ across the critical temperature $T_c$ of the QCD phase transition, the pressure $P(T)$ and the energy density $e(T)$ above $T_c$ generally deviate from their Stefan-Boltzmann values. We…
We report magnetization and differential thermal analysis measurements as a function of pressure accross the martensitic transition in magnetically superelastic Ni-Mn-In alloys. It is found that the properties of the martensitic…
Statistics of tunneling rates in the presence of chaotic classical dynamics is discussed on a realistic example: a hydrogen atom placed in parallel uniform static electric and magnetic fields, where tunneling is followed by ionization along…
We describe a classical thermodynamic model that reproduces the main features of the solid hydrogen phase diagram. In particular, we show how the general structure types that are found by electronic structure calculations and the quantum…
The decay rate for a particle in a metastable cubic potential is investigated in the quantum regime by the Euclidean path integral method in semiclassical approximation. The imaginary time formalism allows one to monitor the system as a…
Simulations at the atomic scale provide a direct and effective way to understand the mechanical properties of materials. In the regime of classical mechanics, simulations for the thermodynamic properties of metals and alloys can be done by…
The energy of a quantum particle cannot be determined exactly unless there is an infinite amount of time in which to perform the measurement. This paper considers the possibility that $\Delta E$, the uncertainty in the energy, may be…
We perform quantum mechanically exact calculations of resonances in the spectrum of the hydrogen atom in crossed external fields and establish a close connection between the classical transition state in phase space and features in the…
The equation of the Bohr-Mottelson Hamiltonian with a sextic oscillator potential is solved for $\gamma$-rigid prolate nuclei. The associated shape phase space is reduced to three variables which are exactly separated. The angular equation…