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A reduced order asymptotic homogenization based multiscale technique which can capture damage and inelastic effects in composite materials is proposed. This technique is based on two scale homogenization procedure where eigen strain…
The knowledge of the binding energy of molecules on astrophysically relevant ices can help to obtain an estimate of the desorption rate, i.e. the molecules residence time on the surface. This represents an important parameter for…
Hexagonal boron nitride ($\it h$-BN) exhibits dominant $\pi$-bands near the Fermi level, similar to graphene. However, unlike graphene, where tight-binding (TB) models accurately reproduce band edges near the $K$ and $K^{\prime}$ points in…
Principal characteristics of interlayer interaction and relative motion of hexagonal boron nitride (h-BN) layers are investigated by the first-principles method taking into account van der Waals interactions. Dependences of the interlayer…
Density functional theory calculations have been performed to study the structures and energetics of coherent and semicoherent TiC/Fe interfaces. A systematic method for determining the interfacial energy for the semicoherent interface with…
Predicting the behaviour of complex systems is one of the main goals of science. An important example is plastic deformation of micron-scale crystals, a process mediated by collective dynamics of dislocations, manifested as broadly…
A multiscale (micro-to-macro) analysis is proposed for the prediction of the finite strain behavior of composites with hyperelastic constituents and embedded localized damage. The composites are assumed to possess periodic microstructure…
Hydrogen-enhanced decohesion (HEDE) is one of the many mechanisms of hydrogen embrittlement, a phenomenon that severely impacts structural materials such as iron and iron alloys. Grain boundaries (GBs) play a critical role in this…
Soft materials such as rubber and hydrogels are commonly used in industry for their excellent hyperelastic behaviour. There are various types of constitutive models for soft materials, and phenomenological models are very popular for finite…
We present an experimental approach to discriminate hyper-elastic models describing the mechanical behavior of rubber-like materials. An evaluation of the displacement field obtained by digital image correlation allows us to evaluate the…
Materials characterized by spatially homogeneous elastic moduli undergo affine distortions when subjected to external stress at their boundaries, i.e., their displacements $\uv (\xv)$ from a uniform reference state grow linearly with…
Density-functional theory calculations based on conventional as well as hybrid exchange-correlation functionals have been carried out to study the properties of helium in various oxides (Al2O3, TiO2, Y2O3, YAP, YAG, YAM, MgO, CaO, BaO, SrO)…
A novel analysis of homogeneous nucleation of dislocations in sheared two-dimensional crystals described by periodized discrete elasticity models is presented. When the crystal is sheared beyond a critical strain $F=F_{c}$, the strained…
Metals deformed at high strain rates can exhibit failure through formation of shear bands, a phenomenon often attributed to Hadamard instability and localization of the strain into an emerging coherent structure. We verify formation of…
Recent studies of biological, chemical, and physical pattern-forming systems have started to go beyond the classic `near onset' and `far from equilibrium' theories for homogeneous systems to include the effects of spatial heterogeneities.…
In this work, a higher-order irrotational strain gradient plasticity theory is studied in the small strain regime. A detailed numerical study is based on the problem of simple shear of a non-homogeneous block comprising an elastic-plastic…
Tensile tests were conducted on dual-phase high-strength steel in a Split-Hopkinson Tension Bar at a strain-rate in the range of 150-600/s and in a servo-hydraulic testing machine at a strain-rate between 10-3 and 100/s. A novel specimen…
Understanding the mechanism of martensitic transformation is of great importance in developing advanced high strength steels, especially TRansformation-Induced Plasticity (TRIP) steels. The TRIP effect leads to enhanced work-hardening rate,…
In this paper, a reliable a posteriori error estimator for a model problem of elastoplasticity with linear kinematic hardening is derived, which satisfies some (local) efficiency estimates. It is applicable to any discretization that is…
A new strain energy function for the hyperelastic modelling of ligaments and tendons based on the geometrical arrangement of their fibrils is derived. The distribution of the crimp angles of the fibrils is used to determine the…