Related papers: Energy of low angle grain boundaries based on cont…
The aim of this paper is to investigate the numerical implementation of the Field Dislocation Mechanics (FDM) theory for the simulation of dislocation-mediated plasticity. First, the mesoscale FDM theory of Acharya and Roy (2006) is…
A description of dislocations and disclinations defects in terms of Riemann--Cartan geometry is given, with the curvature and torsion tensors being interpreted as the surface densities of the Frank and Burgers vectors, respectively. A new…
For a wide class of Hamiltonians, a novel method to obtain lower and upper bounds for the lowest energy is presented. Unlike perturbative or variational techniques, this method does not involve the computation of any integral (a…
We present a methodology for the investigation of dislocation energetics in segregated alloys based on Monte Carlo simulations which equilibrate the topology and composition of the dislocation core and its surroundings. An…
Protein folding processes are generally described statistically with the help of multidimensional free energy landscape, typically reduced to a 1-D free energy profile along good reaction co-ordinate. There are many physical parameters…
Moire patterns result from setting a 2D material such as graphene on another 2D material with a small twist angle or from the lattice mismatch of 2D heterostructures. We present a continuum model for the elastic energy of these bilayer…
Molecular static simulations of 190 symmetric tilt grain boundaries in HCP metals were used to understand the energetics of vacancy segregation, which is important for designing stable interfaces in harsh environments. Simulation results…
The fully two-dimensional Peierls barrier map of screw dislocations in BCC iron has been calculated using the first principles method to identify the migration path of a dislocation core. An efficient method to correct the effect of the…
Understanding and controlling the properties and dynamics of topological defects is a lasting challenge in the study of two-dimensional materials, and is crucial to achieve high-quality films required for technological applications. Here…
The mathematical model of grain boundary motion, including lattice misorientations' effect, is considered. When time-dependent lattice misorientations are state variables of the surface tension of the grain boundary, to ensure the energy…
The ever increasing number and complexity of energy-bound devices (such as the ones used in Internet of Things applications, smart phones, and mission critical systems) pose an important challenge on techniques to optimize their energy…
It is well known that energy dissipation and finite size can deeply affect the dynamics of granular matter, often making usual hydrodynamic approaches problematic. Here we report on the experi-mental investigation of a small model system,…
In this work, a lower bound for the ground state energy of the Falicov-Kimball model for intermediate densities is derived. The explicit derivation is important in the proof of the conjecture of segregation of the two kinds of fermions in…
An asymptotically exact continuum dislocation theory of single crystal bars under torsion is proposed. The dislocation distribution minimizing energy of the bar with zero torque is shown to be uniform. If the applied torque is non-zero, the…
In Part I of this set of two papers, a model of mesoscopic plasticity is developed for studying initial-boundary value problems of small scale plasticity. Here we make qualitative, finite element method-based computational predictions of…
The paper presents a study of two full-core, edge dislocations of opposite Burgers vectors in 4H-SiC, conducted using the first-principles density functional theory methods. We have determined the creation energy of the dislocations as a…
Using the AdS/CFT correspondence, we probe the extremal black holes by studying the energy loss of a moving heavy point particle in a strongly-coupled boundary field theory at zero temperature and finite charge density. We first consider…
The granular microstructure of metals evolves significantly during thermomechanical processing through viscoplastic deformation and recrystallization. Microstructural features such as grain boundaries (GBs), subgrains, localized deformation…
Granular systems present surprisingly complicated dynamics. In particular, nonlinear interactions and energy dissipation play important roles in these dynamics. Usually, constant coefficients of restitution are introduced phenomenologically…
Ab initio calculations in bcc iron show that a <111> screw dislocation induces a short-range dilatation field in addition to the Volterra elastic field. This core field is modeled in anisotropic elastic theory using force dipoles. The…