Related papers: Atomistic simulation of martensite microstructural…
Besides permitting an accurate determination of the ferromagnetic-to-paramagnetic phase transition temperature and the characteristic temperatures for the beginning and end of the growth of martensite (austenite) phase at the expense of…
The onset of plasticity in quenched martensitic microstructures is characterized by a low initial yield stress followed by an extremely strong initial hardening response, and then a sudden hardening saturation. Literature attributes this…
Nucleation of a solid in solid is initiated by the appearance of distinct dynamical heterogeneities, consisting of `active' particles whose trajectories show an abrupt transition from ballistic to diffusive, coincident with the…
The High Nitrogen Martensitic Stainless Steel (HNMS) was subjected to three different austenitizing cycles of 1050$^\circ$C, 1075$^\circ$C and 1100$^\circ$C followed by subzero treatment at -70$^\circ$C. The fraction of retained austenite…
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…
A Wigner crystal formed with trapped ion can undergo structural phase transition, which is determined only by the mechanical conditions on a classical level. Instead of this classical result, we show that through consideration of quantum…
Branching can be observed at the austenite-martensite interface of martensitic phase transformations. For a model problem, Kohn and M\"uller studied a branching pattern with optimal scaling of the energy with respect to its parameters.…
Superelastic NiTi 1 shape memory alloy (SMA) wire was subjected to thermomechanical loading tests in tension to evaluate stress and temperature conditions under which the wire deforms plastically. Although the alloy demonstrated a very high…
Simple perovskite crystals undergo structural phase transitions on cooling to low temperatures, which significantly change the material properties of the crystal. In this work we rigorously characterize the temperature evolution of…
Using a modified Lennard-Jones model for elliptic particles and spherical impurities, we present results of molecular dynamics simulation in two dimensions. In one-component systems of elliptic particles, we find an orientation phase…
The phase transition into the ferroelectric phase in barium titanate occurs in many stages with the appearance of nonlinear phenomena. The mixed nature of the transition: displacive and order-disorder type, causes the occurrence of a…
For a previously published study of the titanium hcp (alpha) to omega (omega) transformation, a tight-binding model was developed for titanium that accurately reproduces the structural energies and electron eigenvalues from all-electron…
Foundational Machine Learning Potentials can resolve the accuracy and transferability limitations of classical force fields. They enable microscopic insights into material behavior through Molecular Dynamics simulations, which can crucially…
The present contribution deals with the thermomechanical modeling of the strain-induced crystallization in unfilled polymers. This phenomenon significantly influences mechanical and thermal properties of polymers and has to be taken into…
For the first time, we carry out molecular dynamics (MD) simulation of shear-induced martensitic phase transitions between the orthorhombic and non-orthorhombic (triclinic and monoclinic) phases of crystalline polyethylene (PE) in the…
The evaluation of phase stabilities of unstable elemental phases is a long-standing problem in the computational assessment of phase diagrams. Here we tackle this problem by explicitly calculating phase diagrams of intermetallic systems…
We demonstrate in this paper that atomic force microscopy can be successfully used to gain further insights into the understanding of transformation toughening in ceria stabilized zirconia. Transformation was induced by stresses accumulated…
Accurate knowledge of the electrical and thermal conductivities and structural properties of hydrogen-helium mixtures under thermodynamic conditions within and beyond the immiscibility range is very important to predict the thermal…
A numerical model able to simulate solid-state constrained sintering is presented. The model couples an existing kinetic Monte Carlo (kMC) model for free sintering with a finite element model (FEM) for calculating stresses on a…
A coordinated temperature behavior of magnetic susceptibility and internal friction has been observed in the La2/3Ba1/3MnO3 manganite in the temperature region of the crystal phase separation 5-340 K. Stepwise temperature behavior of the…