Related papers: Atomistic simulation of martensite microstructural…
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…
Martensites are long-lived nonequilibrium structures produced following a quench across a solid state structural transition. In a recent paper (Phys. Rev. Lett. 78, 2168 (1997)), we had described a mode-coupling theory for the morphology…
By means of molecular-dynamics simulations, temperature driven diffusionless structural phase transitions in equi- and nearly equiatomic ordered nickel-titanium alloys were investigated. For this purpose, a model potential from the…
We report a detailed numerical investigation of a recently introduced two dimensional model for square-to-rectangle martensitic transformation that explains several unusual features of the martensitic transformation. This model includes…
Hexagonal close-packed (hcp) titanium exhibits a complex temperature-dependent mechanical response that is central to its use in structural applications. We employ large-scale molecular dynamics simulations to investigate the…
Transition metal dichalcogenides exhibit a wide range of semiconducting, metallic, correlated, and topological electronic states that arise from strong coupling between lattice structure, dimensionality, and electronic degrees of freedom.…
A thermodynamically consistent multiphase phase-field approach for stress and temperature-induced martensitic phase transformation at the nanoscale and under large strains is developed. A total of N independent order parameters are…
In search for the origins of the extraordinary low twinning stress of Ni-Mn-Ga magnetic shape memory alloys we studied the thermally induced changes of structure in Ni$_{50}$Mn$_{25+x}$Ga$_{25-x}$ ($x$=2.7--3.9) single crystal samples and…
Functional behavior of NiTi shape memory alloys is restricted to temperatures below 150 {\deg}C. To shed light on the origin of the loss of functional properties of NiTi with increasing temperature, we have investigated stress induced…
Two-dimensional (2D) transition metal dichalcogenides (TMDCs) have been the subject of sustained research interest due to their extraordinary electronic and optical properties. They also exhibit a wide range of structural phases because of…
Diffusionless phase transitions are at the core of the multifunctionality of (magnetic) shape memory alloys, ferroelectrics and multiferroics. Giant strain effects under external fields are obtained in low symmetric modulated martensitic…
As titanium is a highly utilized metal for structural light-weighting, its phases, transformation pathways (transition states), and structures have scientific and industrial importance. Impurities, pressure, and temperature control the…
Zirconium (Zr) is an important engineering material with numerous practical applications. It undergoes martensitic $\alpha$ to $\omega$ phase transformation (PT) at pressures that vary from 0.67 GPa to 17 GPa under different loading…
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…
The ferroelectric phase transition in barium titanate under pressure was studied within the framework of Landau-Ginzburg theory using differential scanning calorimetry. An innovative method for high-sensitive thermal measurements under…
Purpose: The purpose of this work is to apply a recently proposed constitutive model for mechanically induced martensitic transformations to the prediction of transformation loci. Additionally, this study aims to elucidate if a…
The martensitic {\alpha} --> {\omega} transition was investigated in Ti under hydrostatic pressure. The calculations were carried out using the density functional theory (DFT) framework in combination with the Birch-Murnaghan equation of…
Shape memory alloys inherit their macroscopic properties from their mesoscale microstructure originated from the martensitic phase transformation. In a cubic to orthorhombic transition, a single variant of marten- site can have a compatible…
We study computational behavior of a mesoscopic model describing temperature/external magnetic field-driven evolution of magnetization. Due to nonconvex anisotropy energy describing magnetic properties of a body, magnetization can develop…
A single crystal of lead-zirconate-titanate (PZT), composition Pb(Zr0.80Ti0.20)O3, was studied by polarized-Raman scattering as a function of temperature. Raman spectra reveal that the local structure deviates from the average structure in…