相关论文: Energy minimization of 2D incommensurate heterostr…
We introduce configuration space as a natural representation for calculating the mechanical relaxation patterns of incommensurate two-dimensional (2D) bilayers, bypassing supercell approximations to encompass aperiodic relaxation patterns.…
To make the investigation of electronic structure of incommensurate heterostructures computationally tractable, effective alternatives to Bloch theory must be developed. In Massatt2017, we developed and analyzed a real space scheme that…
Momentum space transformations for incommensurate 2D electronic structure calculations are fundamental for reducing computational cost and for representing the data in a more physically motivating format, as exemplified in the…
We propose a novel method to fit and segment multi-structural data via convex relaxation. Unlike greedy methods --which maximise the number of inliers-- this approach efficiently searches for a soft assignment of points to models by…
Semiconductor heterostructures provide a powerful platform for the engineering of excitons. Here we report the excitonic properties of two-dimensional (2D) heterostructures that consist of monolayer MoS2 and WS2 stacked epitaxially or…
Introduction of a twist between layers of two-dimensional materials which leads to the formation of a moir\'e pattern is an emerging pathway to tune the electronic, vibrational and optical properties. The fascinating properties of these…
A variational model for describing the morphology of two-phase continua by allowing for the interplay between coherent and incoherent interfaces is introduced. Coherent interfaces are characterized by the microscopical arrangement of atoms…
Friction dissipates a substantial portion of global energy, motivating the pursuit of superlubricity, a state of near-zero friction, in real-world systems. Conventional approaches rely on crystalline lattice mismatch to suppress periodic…
We show that the low temperature ($T<0.5$ K) time dependent non-exponential energy relaxation of quasi-one-dimensional (quasi-1D) compounds strongly differ according to the nature of their modulated ground state. For incommensurate ground…
We propose a model for nonlinearly elastic membranes undergoing finite deformations while confined to a regular frictionless surface in $\mathbb{R}^3$. This is a physically correct model of the analogy sometimes given to motivate harmonic…
In this work, a generalized force-field methodology for the relaxation of large moir\'e heterostructures is proposed. The force-field parameters are optimized to accurately reproduce the structural degrees of freedom of some computationally…
We present a practical algorithm for partially relaxing multiwell energy densities such as pertain to materials undergoing martensitic phase transitions. The algorithm is based on sequential lamination, but the evolution of the…
We consider periodic homogenization of nonlinearly elastic composite materials. Under suitable assumptions on the stored energy function (frame indifference; minimality, non-degeneracy and smoothness at identity; $p\geq d$-growth from…
We formulate a relaxed linear elastic micromorphic continuum model with symmetric Cauchy force-stresses and curvature contribution depending only on the micro-dislocation tensor. Our relaxed model is still able to fully describe rotation of…
A topology optimization method is presented for the design of periodic microstructured materials with prescribed homogenized nonlinear constitutive properties over finite strain ranges. The mechanical model assumes linear elastic isotropic…
The response of many materials to applied forces and boundary constraints depends upon internal geometric changes at multiple submacroscopic levels. Hierarchical structured deformations provide a mathematical setting for the description of…
In this paper, we propose an approach for describing wave propagation in finite-size microstructured metamaterials using a reduced relaxed micromorphic model. This method introduces an additional kinematic field with respect to the…
We give a complete and rigorous derivation of the mechanical energy for twisted 2D bilayer heterostructures without any approximation beyond the existence of an empirical many-body site energy. Our results apply to both the continuous and…
The present work is a proof of concept of the capabilities of paralellization in the calculation of metamaterials in a non-linear regime. In this work we subdivided the bulk material into subregions where the mechanical properties are…
We study the phase diagram and the commensurate-incommensurate transitions in a phase field model of a two-dimensional crystal lattice in the presence of an external pinning potential. The model allows for both elastic and plastic…