Related papers: Classical potential describes martensitic phase tr…
Many different formalisms exist for computing the phase of a matter-wave interferometer. However, it can be challenging to develop physical intuition about what a particular interferometer is actually measuring or about whether a given…
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…
We consider a classical interacting dimer model which interpolates between the square lattice case and the triangular lattice case by tuning a chemical potential in the diagonal bonds. The interaction energy simply corresponds to the number…
We consider a Parity-time (PT) invariant non-Hermitian quasi-exactly solvable (QES) potential which exhibits PT phase transition. We numerically study this potential in a complex plane classically to demonstrate different quantum effects.…
We study the dynamics of a one-dimensional classical particle in a space and time dependent potential with randomly chosen parameters. The focus of this work is a quasi-periodic potential, which only includes a finite number of Fourier…
The electromagnetic transition properties of the decuplet to octet baryon ($\Delta \rightarrow N\gamma$) is studied within the frame work of a hypercentral quark model. The confinement potential is assumed as hypercentral coloumb plus…
While most phase transformations, e.g. ferroelectric or ferromagnetic, can be first or second order depending on external applied fields, martensitic transformations in metallic alloys are nearly universally first order. We demonstrate that…
Adding thermal conductivity enhancements to increase thermal power in solid-liquid phase-change thermal energy storage modules compromises volumetric energy density and often times reduces the mass and volume of active phase change material…
The central approximation made in classical molecular dynamics simulation of materials is the interatomic potential used to calculate the forces on the atoms. Great effort and ingenuity is required to construct viable functional forms and…
We systematically study phase transformations from one helical structure to another. Motivated in part by recent work that relates the presence of compatible interfaces with properties such as the hysteresis and reversibility of a phase…
Atomic scale simulations at finite temperature are an ideal approach to study the thermodynamic properties of magnetic transition metals. However, the development of interatomic potentials explicitly taking into account magnetic variables…
Computational modeling is usually applied to aid experimental exploration of advanced materials to better understand the fundamental plasticity mechanisms during mechanical testing. In this work, we perform Molecular dynamics (MD)…
The entanglement properties of the phase transition in a two dimensional harmonic lattice, similar to the one observed in recent ion trap experiments, are discussed both, for finite number of particles and thermodynamical limit. We show…
The classical Kramers-Henneberger transformation connects, via a series of unitary transformations, the dynamics of a quantum particle of mass $m$ located in a trap at position $\alpha(t)$, with the dynamics of a charge $e$ moving in an…
Strontium titanate (SrTiO3) is regarded as an essential material for oxide electronics. One of its many remarkable features is subtle structural phase transition, driven by antiferrodistortive lattice mode, from a high-temperature cubic…
Twinning in crystalline materials plays an important role in many transformation and deformation processes, where underlying mechanisms can be strongly influenced by the structural, energetic and kinetic properties of associated twin…
Alpha($^{4}$He)-cluster models have often been used to describe light nuclei. Towards the application to multi-cluster systems involving heavy clusters, we study the relative wave functions of the $\alpha+^{16}$O and $\alpha+^{40}$Ca…
There have existed for a long time a paradigm that TiO phases at ambient conditions are stable only if structural vacancies are available. Using an evolutionary algorithm, we perform an ab initio search of possible zero-temperature…
The method of calculating the free energy and thermodynamic characteristics of the classical n-vector three-dimensional (3D) magnetic model at the microscopic level without any adjustable parameters is proposed. Mathematical description is…
Tantalum, tantalum oxide and their hetero-interfaces are of tremendous technological interest in several applications spanning electronics, thermal management, catalysis and biochemistry. For example, local oxygen stoichiometry variation in…