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Particle based methods such as the Discrete Element Method and the Lattice Spring Method may be used for describing the behaviour of isotropic linear elastic materials. However, the common bond models employed to describe the interaction…
The interaction between edge dislocations and Guinier-Preston zones in an Al-Cu alloy was analyzed by means of atomistic simulations. The different thermodynamic functions that determine the features of these obstacles for the dislocation…
In this paper a second-order homogenization approach for periodic material is derived from an appropriate representation of the down-scaling that correlates the microdisplacement field to the macro-displacement field and the macro-strain…
Ab initio calculations in bcc iron show that a <111> screw dislocation induces a short-range dilatation field in addition to the Volterra elastic field. This core field is modeled in anisotropic elastic theory using force dipoles. The…
In soft matter systems the local displacement field can be accessed directly by video microscopy enabling one to compute local strain fields and hence the elastic moduli using a coarse-graining procedure. We study this process for a simple…
We have studied a simple effective model of charge ordered insulators. The tight binding Hamiltonian consists of the effective on-site interaction U and the intersite density-density interaction Wij (both: nearest-neighbor and…
The behavior of hydrogen in iron and iron alloys is of interest in many fields of physics and materials science. To enable large-scale molecular dynamics simulations of systems with Fe-H interactions, we develop, based on density-functional…
A general nonlinear theory for the elasticity of pre-stressed single crystals is presented. Various types of elastic moduli are defined, their importance is determined, and relationships between them are presented. In particular, B moduli…
A rapid fracture test in four-point bending is proposed to assess hydrogen embrittlement (HE) susceptibility of high strength martensitic steels. The novelty of this technique is the rapid rate of loading, whereas conventional approaches…
Slip transmission across $\alpha-\beta$ interfaces is of great significance in understanding the strength of $\alpha-\beta$ Ti alloys for aerospace applications. Molecular statics (MS) and molecular dynamics (MD) simulations were conducted…
We study experimentally the intermittent progress of the mechanically induced martensitic transformation in a Cu-Al-Be single crystal through a full-field measurement technique: the grid method. We utilize an in- house, specially designed…
The hybrid-high order (HHO) scheme has many successful applications including linear elasticity as the first step towards computational solid mechanics. The striking advantage is the simplicity among other higher-order nonconforming schemes…
This paper is concerned with an asymptotic analysis of the dispersion relation for wave propagation in an elastic layer of uniform thickness. The layer is subject to an underlying simple shear deformation accompanied by an arbitrary uniform…
New properties can arise at van der Waals (vdW) interfaces hosting a moir\'e pattern generated by interlayer twist and strain. However, achieving precise control of interlayer twist/strain remains an ongoing challenge in vdW heterostructure…
The application of gate voltages in heavy metal/ferromagnet/Oxide multilayer stacks has been identified as one possible candidate to manipulate their anisotropy at will. However, this method has proven to show a wide variety of behaviours…
The thermally activated motion of dislocations across fields of obstacles distributed at random and in a correlated manner, in separate models, is studied by means of computer simulations. The strain rate sensitivity and strength are…
A phase field model is presented to investigate dislocation formation (coherency loss) and workhardening in two-phase binary alloys. In our model the elastic energy density is a periodic function of the shear and tetragonal strains, which…
We discuss hydrogen diffusion and solubility in aluminum alloyed Fe-Mn alloys. The systems of interest are subjected to tetragonal and isotropic deformations. Based on ab initio modelling, we calculate solution energies, then employ…
An adhesively stressed thin film of a soft hydrogel confined between two rigid flat substrates auto-roughens with its dominant wavelength exhibiting pronounced dependence on the film thickness (H). A linear stability analysis confirmed that…
The experimental results of Takaki et al. [1] on the stage I resistivity recovery of electron irradiated iron are analyzed using the analytical theory of diffusion annealing formulated by Simpson & Sossin [2] and Schroeder [3] taking into…