Related papers: Surface Shear Transformation Zones in Amorphous So…
Shear banding is a fundamental non-equilibrium phenomenon in amorphous solids. Due to the intrinsic entangling of three local atomic motions: shear, dilatation and rotation, the precise physical process of shear band emergence is still an…
Shape memory alloys (SMAs) exhibit hysteresis behaviors upon stress and temperature induced loadings. In this contribution, we focus on numerical simulations of microstructure evolution of cubic-to-tetragonal martensitic phase…
Reactive settling denotes the process of sedimentation of small solid particles dispersed in a viscous fluid with simultaneous reactions between the components that constitute the solid and liquid phases. This process is of particular…
The yielding transition that occurs in amorphous solids under athermal quasistatic deformation has been the subject of many theoretical and computational studies. Here, we extend this analysis to include thermal effects at finite shear…
Surface quasi geostrophy (SQG) describes the two-dimensional active transport of a temperature field in a strongly stratified and rotating environment. Besides its relevance to geophysics, SQG bears formal resemblance with various flows of…
Molecular dynamics simulations are increasingly being used to investigate the structural evolution of polymers during mechanical deformation, but relatively few studies focus on the influence of boundary conditions on this evolution, in…
A growth model which describes the deposition of particles (or the growth of a rigid crystal) on a disordered substrate is investigated. The dynamic renormalization group is applied to the stochastic growth equation using the Martin, Sigga,…
We compute by numerical transfer-matrix methods the surface free energy $\tau(T),$ the surface stiffness coefficient $\kappa(T),$ and the single-step free energy $s(T)$ for Ising ferromagnets with $(\infty \times L)$ square-lattice and…
The yielding transition, structural relaxation, and mechanical properties of metallic glasses subjected to repeated loading are examined using molecular dynamics simulations. We consider a poorly-annealed Cu-Zr amorphous alloy periodically…
Accurate and efficient simulation of excited state properties is an important and much aspired cornerstone in the study of adsorbate dynamics on metal surfaces. To this end, the recently proposed linear expansion \Delta Self-Consistent…
The effect of periodic shear on strain localization in disordered solids is investigated using molecular dynamics simulations. We consider a binary mixture of one million atoms annealed to a low temperature with different cooling rates and…
The preferential formation of one solid over the other, as it precipitates out from the melt at specific temperatures, is often explained by invoking a competition between thermodynamic and kinetic control. A quantitative theory, however,…
We investigate numerically the yielding transition of a two dimensional model amorphous solid under external shear. We use a scalar model in terms of values of the total local strain, that we derive from the full (tensorial) description of…
A 10 wt.% nickel-steel has been developed for high pressures and low-temperature applications, due to its high strength, excellent toughness, and low ductile-to-brittle transition temperature (DBTT). Under dynamic loading conditions this…
Translating metabolic networks into dynamic models is difficult if kinetic constants are unknown. Structural Kinetic Modelling (SKM) replaces reaction elasticities by independent random numbers. Here I propose a variant that accounts for…
Studies in atomic-scale modeling of surface phase equilibria often focus on temperatures near zero Kelvin due to the challenges in calculating the free energy of surfaces at finite temperatures. The Bayesian-inference-based nested sampling…
The thermodynamic limits of the XYZ spin chain with periodic or twisted boundary conditions are studied. By using the technique of characterizing the eigenvalue of the transfer matrix by the $T-Q$ relation and by the zeros of the associated…
We study the nucleation dynamics of a model solid state transformation and the criterion for microstructure selection using a molecular dynamics (MD) simulation. Our simulations show a range of microstructures depending on the depth of…
The behavior of shape memory alloy (SMA) nanostructures is influenced by strain rate and temperature evolution during dynamic loading. The coupling between temperature, strain and strain rate effects is essential to capture inherent…
Shear banding and stick-slip instabilities have been long observed in sheared granular materials. Yet, their microscopic underpinnings, interdependencies and variability under different loading conditions have not been fully explored. Here,…