Related papers: Interplay between diffusive and displacive phase t…
The work presents a thermomechanical model for polycrystalline NiTi-based shape memory alloys developed within the framework of generalized standard solids, which is able to cover loading-mode dependent localization of the martensitic…
In the setting of continuum elasticity martensitic phase transformations are characterized by a non-convex free energy density function that possesses multiple wells in strain space and includes higher-order gradient terms for…
Shape memory effect associated with martensitic transformations is of the rapidly developing field in nanotechnologies, where industrial use of systems established on that effect provide greater flexibility on the nano-devices fabrication…
This paper studies a two-phase material with a microstructure composed of a hard brittle reinforcement phase embedded in a soft ductile matrix. It addresses the full three-dimensional nature of the microstructure and macroscopic…
Semimetal molybdenum ditelluride (1T'-MoTe$_2$) possess diverse phase transitions enriching its application prospects. The structural response during these transitions is crucial to understanding the underlying mechanisms, but the desired…
Metal-insulator transition (MIT) materials are a useful platform for emerging microelectronic, optoelectronic, and neuromorphic devices, but their discovery is hindered by the high computational cost of electronic structure modeling, the…
We studied the phase diagram of thin ferroelectric films with incommensurate phases and semiconductor properties within the framework of Landau-Ginzburg-Devonshire theory. We performed both analytical calculations and phase-field modelling…
For multi-stage, displacive structural transitions we present a general framework that accounts for various intermediate modulated phases, elastic constant, phonon and related thermodynamic anomalies. Based on the presence or absence of…
The role of layer disorder is important in establishing the topological phases of MoTe${_2}$. A rich tapestry of atomic ordering influences the structural phase transitions (SPTs), but there is little understanding of the mechanistic…
For the complex Ginzburg-Landau equation on a large periodic interval, we show that the transition from defect- to phase-turbulence is more accurately described as a smooth crossover rather than as a sharp continuous transition. We obtain…
Structural phase transition studies employing low-temperature transmission electron microscopy, and low-temperature x-ray diffraction have been carried out on nearly stoichiometric ({\delta}=0.01) and off-stoichiometric ({\delta}=0.12)…
One-dimensional thermodynamic instabilities are phase transitions not prohibited by Landau's argument, because the energy of the domain wall (DW) which separates the two phases is infinite. Whether they actually occur in a given system of…
Understanding the phase transformation pathways (PTPs) and microstructural evolution in multi-phase HEAs will aid alloy and process designs to tailor the microstructures for specific engineering applications. In this work, we study…
Recent advances in many-body physics have made it possible to study correlated electron systems at the two-particle level. In Dynamical Mean-Field theory, it has been shown that the metal-insulator phase diagram is closely related to the…
This paper establishes a far-reaching connection between the Finite-Difference Time-Domain method (FDTD) and the theory of dissipative systems. The FDTD equations for a rectangular region are written as a dynamical system having the…
During the directional solidification of peritectic alloys, two stable solid phases (parent and peritectic) grow competitively into a metastable liquid phase of larger impurity content than either solid phase. When the parent or both solid…
Within this work, we develop a phase-field description for simulating fractures in incompressible materials. Standard formulations are subject to volume-locking when the solid is (nearly) incompressible. We propose an approach that builds…
The thermodynamic stabilities of various phases of the nitrides of the platinum metal elements are systematically studied using density functional theory. It is shown that for the nitrides of Rh, Pd, Ir and Pt two new crystal structures, in…
Using an interface displacement model derived from a microscopic density functional theory we investigate thin liquidlike wetting layers adsorbed on flat substrates with an embedded chemical heterogeneity forming a stripe. For a wide range…
In this paper, we present temperature and field dependent neutron diffraction (ND) study to unravel the structural and the magnetic properties in Ni50Mn38Sb12 Heusler system. This alloy shows martensitic transition from high temperature…