Related papers: On the competition between dislocation transmissio…
Conversion cathode materials are gaining interest for secondary batteries due to their high theoretical energy and power density. However, practical application as a secondary battery material is currently limited by practical issues such…
We present a novel formulation for modeling phase-field fracture propagation based on the Integrated Finite Element Neural Network (IFENN) framework. IFENN is a hybrid solver scheme that utilizes neural networks as PDE solvers within FEM,…
The static stress needed to depin a 2D edge dislocation, the lower dynamic stress needed to keep it moving, its velocity and displacement vector profile are calculated from first principles. We use a simplified discrete model whose far…
A pore network modeling (PNM) framework for the simulation of transport of charged species, such as ions, in porous media is presented. It includes the Nernst-Planck (NP) equations for each charged species in the electrolytic solution in…
We present a novel computational framework to simulate the electromechanical response of self-sensing carbon nanotube (CNT)-based composites experiencing fracture. The computational framework combines electrical-deformation-fracture finite…
We present a mesoscale description of deformations and defects in thin, flexible sheets with crystalline order, tackling the interplay between in-plane elasticity, out-of-plane deformation, as well as dislocation nucleation and motion. Our…
The n-3H and p-3He elastic phase-shifts below the trinucleon disintegration thresholds are calculated by solving the 4-nucleon problem with three different realistic nucleon-nucleon interactions (the I-N3LO model by Entem and Machleidt, the…
Edge effect is one of the detrimental factors preventing superlubricity in laminar solid lubricants. Separating the friction contribution from the edge atom and inner atom is of paramount importance for rational design of ultralow friction…
This work considers a Stokes flow in a deformable fracture interacting with a linear elastic medium. To this end, we employ a phase-field model to approximate the crack dynamics. Phase-field methods belong to interface-capturing approaches…
We systematically study the competition between {\alpha}-decay and spontaneous fission in even-even superheavy nuclei with (Z=120) and 256 \leq A \leq 304 within the preformed cluster-decay model using microscopic inputs from relativistic…
We address a three-dimensional, coarse-grained description of dislocation networks at grain boundaries between rotated crystals. The so-called amplitude expansion of the phase-field crystal model is exploited with the aid of finite element…
We investigate the diffusive electron-transport properties of charge-doped graphene ribbons and nanoribbons with imperfect edges. We consider different regimes of edge scattering, ranging from wide graphene ribbons with (partially)…
Van der Waals (vdW) heterostructures subjected to interlayer twists or heterostrains demonstrate structural superlubricity, leading to their potential use as superlubricants in micro- and nano-electro-mechanical devices. However,…
Picking up, laying down, colliding, rolling, and peeling are partial-contact interactions involving moving discontinuities. We examine the balances of momentum and energy across a moving discontinuity in a string, with allowance for…
The interactions between dislocations and interface/grain boundaries, including dislocation absorption, transmission, and reflection, have garnered significant attention from the research community for their impact on the mechanical…
The enforcement of global energy conservation in phase-field fracture simulations has been an open problem for the last 25 years. Specifically, the occurrence of unstable fracture is accompanied by a loss in total potential energy, which…
The contact process is a stochastic process which exhibits a continuous, absorbing-state phase transition in the Directed Percolation (DP) universality class. In this work, we consider a contact process with a bias in conjunction with an…
The core structure of dislocations is critical to their mobility, cross slip, and other plastic behaviors. Atomistic simulation of the core structure is limited by the size of first-principles density functional theory (DFT) calculation and…
In this paper we propose a computational framework for the investigation of the correlated motion between positive and negative ions exposed to the attraction of a bubble surface that mimics the (oscillating) cell membrane. The correlated…
An intrinsic feature of nearly all internal interfaces in crystalline systems (homo- and hetero-phase) is the presence of disconnections (topological line defects constrained to the interface that have both step and dislocation character).…