During the growth of organic crystals, crystal defects can be formed. Microscopic defects,
which include point, line, and planar defects, appearing as vacancies, growth dislocations …

Atomistic-to-continuum (a/c) coupling methods are a class of computational multiscale
schemes that combine the accuracy of atomistic models with the efficiency of continuum …

Introduction Since the completion of this volume in 1986, there has been an enormous
amount of fundamental advances in the theory of three-dimensional elasticity (Chapters 6 …

Abstract Application of functional Bi0. 5Na0. 5TiO3 (BNT) based hybrid thin films to flexible
electronic devices is unavoidable for future technologies. The challenges involve the …

Abstract Machine-learned interatomic potentials (MLIPs) are typically trained on datasets
that encompass a restricted subset of possible input structures, which presents a potential …

This book uses asymptotic methods to obtain simple approximate analytic solutions to
various problems within mechanics, notably wave processes in heterogeneous materials …

Numerical simulations of crystal defects are necessarily restricted to finite computational
domains, supplying artificial boundary conditions that emulate the effect of embedding the …

We present a brief survey on the modern tensor numerical methods for multidimensional
stationary and time-dependent partial differential equations (PDEs). The guiding principle of …

Machine-learned interatomic potentials (MLIPs) and force fields (ie, interaction laws for
atoms and molecules) are typically trained on limited data-sets that cover only a very small …

We derive and analyze a novel approach for modeling and computing the mechanical
relaxation of incommensurate two dimensional heterostructures. Our approach parametrizes …