Related papers: Quantized dislocations for functional and quantum …
Quantum phenomena are typically observable at length and time scales smaller than those of our everyday experience, often involving individual particles or excitations. The past few decades have seen a revolution in the ability to structure…
In order to predict the long-term effects of irradiation on the material properties of tungsten, a continuum approach to simulating the interactions of dislocation loops, which arise from radiation damage, is proposed. Continuum models of…
Density Functional Theory (DFT) is a pivotal method within quantum chemistry and materials science, with its core involving the construction and solution of the Kohn-Sham Hamiltonian. Despite its importance, the application of DFT is…
Identifying the regions responsible for plastic flow in amorphous solids remains an open problem, since structural disorder seems to prevent the direct application of concepts such as dislocations, topological defects that successfully…
Dislocation-density-based crystal plasticity (CP) models are introduced to account for the microstructural changes throughout the deformation process, enabling more quantitative predictions of the deformation process compared to slip-system…
Thermodynamic dislocation theory incorporating dislocation impediment by the grain boundaries is developed to analyze the shear test of polycrystals. With a small set of physics based material parameters, we are able to simulate the…
Recently, a dislocation free deformation mechanism was proposed by Kiritani et al., based on a series of experiments where thin foils of fcc metals were deformed at very high strain rates. In the experimental study, they observed a large…
The marriage of density functional theory (DFT) and deep learning methods has the potential to revolutionize modern computational materials science. Here we develop a deep neural network approach to represent DFT Hamiltonian (DeepH) of…
Dislocation based modeling of plasticity is one of the central challenges at the crossover of materials science and continuum mechanics. Developing a continuum theory of dislocations requires the solution of two long standing problems: (i)…
The modest aim of this short article is to provide some new results for a screw dislocation in a functionally graded material within the theory of gradient elasticity. These results, based on a displacement formulation and the Fourier…
Silicon-based quantum computing has the potential advantages of low cost, high integration density, and compatibility with CMOS technologies. The detuning mechanism has been used to experimentally achieve silicon two-qubit quantum gates and…
In this work, the so-called Eshelbian or configurational mechanics of quasicrystals is presented. Quasicrystals are considered as a prototype of novel materials. Material balance laws for quasicrystalline materials with dislocations are…
Over the past decades, discrete dislocation dynamics simulations have been shown to reliably predict the evolution of dislocation microstructures for micrometer-sized metallic samples. Such simulations provide insight into the governing…
Coarse-grained descriptions of dislocation motion in crystalline metals inherently represent a loss of information regarding dislocation-dislocation interactions. In the present work, we consider a coarse-graining framework capable of…
Measurements destroy entanglement. Building on ideas used to study `quantum disentangled liquids', we explore the use of this effect to characterize states of matter. We focus on systems with multiple components, such as charge and spin in…
We present a framework which unifies classical phenomenological $J_2$ and crystal plasticity theories with quantitative dislocation mechanics. The theory allows the computation of stress fields of arbitrary dislocation distributions and,…
A new minimal coupling method is introduced. A general dissipative quantum system is investigated consistently and systematically. Some coupling functions describing the interaction between the system and the environment are introduced.…
This chapter presents controlled approximations of Kohn-Sham density functional theory (DFT) that enable very large scale simulations. The work is motivated by the study of defects in crystalline solids, though the ideas can be used in…
In recent years, the behavior of dislocations in random solid solutions has received renewed interest, and several models have been discussed where random alloys are treated as effective media containing random distributions of dilatation…
In this work we establish a theory of Calculus based on the new concept of displacement. We develop all the concepts and results necessary to go from the definition to differential equations, starting with topology and measure and moving on…