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The full elasticity tensor for nano-crystalline copper is derived in molecular simulations by performing numerical tests for a set of generated samples of the polycrystalline material. The results are analysed with respect to the anisotropy…
We study the critical behavior of magnetic thin films as a function of the film thickness. We use the ferromagnetic Ising model with the high-resolution multiple histogram Monte Carlo (MC) simulation. We show that though the 2D behavior…
Nanoscale polymeric thin films are widely used in diverse applications such as energy devices, flexible electronics and biosensors, where a satisfactory mechanical performance is of vital importance to realize their full functionality. It…
We present a theoretical analysis of the role that strain plays on the electronic structure of chromium nitride crystals. We use LSDA+U calculations to study the elastic constants, deforma- tion potentials and strain dependence of electron…
Confined geometries offer useful and experimentally amenable mechanical testing arrangements in which to study the molecular and micro-structural processes which govern plastic yield in stress environments dominated by hydrostatic pressure…
All the simulations were carried out for sc(001) film with three (N=3) layers. The effect of applied magnetic field and stress induced anisotropy on energy of ultra-thin ferromagnetic films has been investigated using Heisenberg Hamiltonian…
We study the three-dimensional deformation field induced by an axial (In,Ga)N segment in a GaN nanowire. Using the finite element method within the framework of linear elasticity theory, we study the dependence of the strain field on the…
We study thin films with residual strain by analyzing the $\Gamma-$limit of non-Euclidean elastic energy functionals as the material's thickness tends to $0.$ We begin by extending prior results \cite{bhattacharya2016plates}…
The microscopic magnetic properties of high-quality GdN thin films have been investigated by electron spin resonance (ESR) and ferromagnetic resonance (FMR) measurements. Detailed temperature dependence ESR measurements have shown the…
Ferromagnetic insulating La$_2$CoMnO$_{6-\epsilon}$ (LCMO) epitaxial thin films grown on top of SrTiO$_3$ (001) substrates presents a strong magnetic anisotropy favoring the out of plane orientation of the magnetization with a strong…
We simulate antiferromagnetic thin films. Dipole-dipole and antiferromagnetic exchange interactions as well as uniaxial and quadrupolar anisotropies are taken into account. Various phases unfold as the corresponding parameters, J, D and C,…
We report on a strain-induced and temperature dependent uniaxial anisotropy in V$_{2}$O$_{3}$/Ni hybrid thin films, manifested through the interfacial strain and sample microstructure, and its consequences on the angular dependent…
Approach-to-equilibrium molecular dynamics simulations have been used to study thermal transport in nanocrystalline graphene sheets. Nanostructured graphene has been created using an iterative process for grain growth from initial seeds…
Many technologically useful materials are polycrystals composed of a myriad of small monocrystalline grains separated by grain boundaries. Dynamics of grain boundaries play a crucial role in determining the grain structure and defining the…
The electrical conductivity of a CdS thin film, controlled by grain structures is essential to enhance its photoconductivity to be able to be fit as a window material in CdS/CdTe heterojunction solar cell. In order to characterize a thin…
Permanent magnet materials require a high uniaxial magneto-crystalline anisotropy. Exchange coupling between small crystallites with easy-plane anisotropy induces an effective uniaxial anisotropy if arranged accordingly. Nanostructuring of…
The ability of amorphous intergranular films to mitigate damage formation at grain boundaries is studied with molecular dynamics simulations. We find that such films can alter both crack nucleation and crack growth rates by efficiently…
Micropillar compression experiments probing size effects in confined plasticity of metal thin films, including the indirect imposition of 'canonical' simple shearing boundary conditions, show dramatically different responses in compression…
The structure, morphology, and electrical properties of epitaxial a-axis oriented thin films of Nd(0.2)Sr(0.8)MnO(3) are reported for thicknesses 10 nm <= t <= 150 nm. Films were grown with both tensile and compressive strain on various…
The effect of the anisotropy in the exchange interaction and film thickness on the hysteresis behavior of the anisotropic Heisenberg thin film has been investigated with effective field formulation in a two spin cluster using the decoupling…