Related papers: Classical potential describes martensitic phase tr…
Motivated by improving the understanding of the quantum-to-classical transition we use a simple model of classical discrete interactions for studying the discrete-to-continuous transition in the classical harmonic oscillator. A parallel is…
Equiatomic nickle-titanium (NiTi) is investigated to determine the consequences of point defects on the Martensitic phase transformation. Using molecular dynamics (MD) simulations, NiTi with 0.1%, 0.5%, 1%, 2%, and 3% of Schottky-type…
Metastable alloys, such as $\beta$-phase titanium (Ti) alloys with a body-centered cubic (BCC) lattice, can exhibit exceptional mechanical properties through the interplay of multiple deformation mechanisms -- diffusionless phase…
In this paper we consider a simplified two-dimensional scalar model for the formation of mesoscopic domain patterns in martensitic shape-memory alloys at the interface between a region occupied by the parent (austenite) phase and a region…
An original thermodynamically consistent large strains-based multiphase phase-field (PF) approach of Ginzburg-Landau type is developed for studying the grain boundary (GB)-induced martensitic transformations (MTs) in polycrystalline…
Materials which can undergo extremely fast displacive transformations as well as very slow diffusive transformations are studied using a Ginzburg-Landau framework to understand the physics behind microstructure formation and…
The redistribution of energy levels between energy bands is studied for a family of simple effective Hamiltonians depending on one control parameter and possessing axial symmetry and energy-reflection symmetry. Further study is made on the…
We present two new interatomic potentials for platinum (Pt) in angular-dependent potential (ADP) and modified Tersoff (MT) formats. Both potentials have been trained on a reference database of first-principles calculations without using…
General features of the $\alpha-\beta$ transition of quartz are investigated. Molecular dynamics methods are mainly used, an analytic treatment being deferred to a work in preparation. A basic preliminary observation is that the transition…
We study a simplified two-dimensional model for a cubic-to-orthorhombic phase transition occuring in certain shape-memory-alloys. In the low temperature regime the linear theory of elasticity predicts various possible patterns of martensite…
The Martensitic transformation (MT) in A15 binary-alloy superconductor V_3Si, though studied extensively, has not yet been conclusively linked with a transition to superconductivity. Previous NMR studies have mainly been on powder samples…
A study of high pressure solid Te was carried out at room temperature using Raman spectroscopy and Density Functional Theory (DFT) calculations. The analysis of the P-dependence of the experi- mental phonon spectrum reveals the occurrence…
We evaluate the effectiveness of different classical potentials to predict the thermodynamics of a number of organic solid form polymorphs relative to experimentally reported values using the quasi-harmonic approximation. Using the…
A mapping is developed between the quantum Hall plateau transition and two-dimensional self-interacting lattice polymers. This mapping is exact in the classical percolation limit of the plateau transition, and diffusive behavior at the…
The classical model that describes the motion of an atom in a magnetic trap is solved in order to investigate the relationship between the failure of the usual adiabatic approximation assumption and the physical parameters of the trap. This…
Lattice dynamical methods used to predict phase-transformations in crystals typically evaluate the harmonic phonon spectra and therefore do not work in frequent and important situations where the crystal structure is unstable in the…
A one-dimensional long-range model of classical rotators with an extended degree of complexity, as compared to paradigmatic long-range systems, is introduced and studied. Working at constant density, in the thermodynamic limit one can prove…
We report a classical interatomic force field for TiO$_2$, which has been parameterized using density functional theory forces, energies, and stresses in the rutile crystal structure. The reliability of this new classical potential is…
High-pressure torsion (HPT) can facilitate phase transformations in titanium dioxide (TiO2) and stabilize its high-pressure columbite phase, as an active photocatalyst, by shear straining under high pressure. This study aims to understand…
We investigate the evolution of the electroweak phase transition, using a one-Higgs effective potential that can be regarded as an approximation for the Minimal Supersymmetric Standard Model. The phase transition occurs in a small interval…