Related papers: Energetic contributions to deformation twinning in…
The formation/binding energetics and length scales associated with the interaction between He atoms and grain boundaries in BCC alpha-Fe was explored. Ten different low Sigma grain boundaries from the <100> and <110> symmetric tilt grain…
A new phase field dislocation dynamics formulation is presented, which couples micromechanical solvers and the time-dependent Ginzburg-Landau equation. Grain boundary (GB)-dislocation interactions are studied by describing GBs as…
The metabolic processes complexity is at the heart of energy conversion in living organisms and forms a huge obstacle to develop tractable thermodynamic metabolism models. By raising our analysis to a higher level of abstraction, we develop…
This paper studies how solute segregation and its relationship to grain boundary energy in binary alloys is captured in the phase field crystal (PFC) formalism, a continuum method that incorporates atomic scale elasto-plastic effects on…
The deformation-related energy budget is usually considered in the simplest form or even completely omitted from the energy balance equation. We derive a full energy balance equation that accounts not only for heat energy but also for…
The evolution of structure property along the fission path in the superheavy nucleus $^{256}$Sg is predicted through the multi-dimensional potential-energy(or Routhian)-surface calculations,in which the phenomenological deformed Woods-Saxon…
When a crystalline solid such as iron is cooled across a structural transition, its final microstructure depends sensitively on the cooling rate. For instance, an adiabatic cooling across the transition results in an equilibrium `ferrite',…
In multifragmentation of hot nuclear matter, properties of fragments embedded in a soup of nucleonic gas and other fragments should be modified as compared with isolated nuclei. Such modifications are studied within a simple model where…
The vertex model is widely used to simulate the mechanical properties of confluent epithelia and other multicellular tissues. This inherently discrete framework allows a Cauchy stress to be attributed to each cell, and its symmetric…
One of the main material properties altered by rare earth additions in magnesium alloys is texture, which can be specifically adjusted to enhance ductility and formability. The current study aims at illuminating the texture selection…
In this paper, the effect of twin boundaries on the crack growth behaviour of single crystal BCC Fe has been investigated using molecular dynamics simulations. The growth of an atomically sharp crack with an orientation of (111)$<$110$>$…
The impact of temperature-induced deformations and shape fluctuations on the particle stability and decay processes has been investigated across the isotopes of hot nuclear systems with $Z = 28$ to $50$, with focus on astrophysically…
We use atomistic simulations to investigate grain boundary (GB) phase transitions in el- emental body-centered cubic (bcc) metal tungsten. Motivated by recent modeling study of grain boundary phase transitions in [100] symmetric tilt…
Previous simulation and experimental studies have shown that some grain boundaries (GBs) can couple to applied shear stresses and be moved by them, producing shear deformation of the lattice traversed by their motion. While this coupling…
It is shown that the dual to the linear programming problem that arises in constraint-based models of metabolism can be given a thermodynamic interpretation in which the shadow prices are chemical potential analogues, and the objective is…
We study the predictability of zero-temperature Glauber dynamics in various models of disordered ferromagnets. This is analyzed using two independent dynamical realizations with the same random initialization (called twins). We derive,…
Strain-controlled fatigue of Mg-1Mn-0.5Nd (wt.\%) alloy were studied by experiment and simulation. The microstructure was made up of a dispersion of strongly texture grains (13\%) embedded in a matrix of grains with a random texture. The…
The structural properties of MgB2 superconductors have been analyzed by means of convergent-beam electron diffraction, high-resolution transmission-electron microscopy, and theoretical simulations. The MgB2 crystal has been identified to…
As a central part of microstructure evolution, grain boundary (GB) migration is believed to be both monolithic and unidirectional. But here, we introduce the concept of GB decomposition: one GB separates into two new GBs by exerting…
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…