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A general approach to realization of models of elasticity, plasticity and fracture of heterogeneous materials within the framework of particle-based numerical methods is proposed in the paper. It is based on building many-body forces of particle interaction, which provide response of particle ensemble correctly conforming to the response (including elastic-plastic behavior and fracture) of simulated solids. Implementation of proposed approach within particle-based methods is demonstrated by the example of the movable cellular automaton (MCA) method, which integrates the possibilities of particle-based discrete element method (DEM) and cellular automaton methods. Emergent advantages of the developed approach to formulation of manybody interaction are discussed. Main of them are its applicability to various realizations of the concept of discrete elements and a possibility to realize various rheological models (including elastic-plastic or visco-elasticplastic) and models of fracture to study deformation and fracture of solid-phase materials and media. Capabilities of particle-based modeling of heterogeneous solids are demonstrated by the problem of simulation of deformation and fracture of particle-reinforced metal-ceramic composites.

Summary A model of fluid‐saturated poroelastic medium was developed based on a combination of the discrete element method and grid method. The developed model adequately accounts for the deformation, fracture, and multiscale internal structure of a porous solid skeleton. The multiscale porous structure is taken into account implicitly by assigning the porosity and permeability values for the enclosing skeleton, which determine the rate of filtration of a fluid. Macroscopic pores and voids are taken into account explicitly by specifying the computational domain geometry. The relationship between the stress–strain state of the solid skeleton and pore fluid pressure is described in the approximations of simply deformable discrete element and Biot's model of poroelasticity. The developed model was applied to study the mechanical response of fluid‐saturated samples of brittle material. Based on simulation results, we constructed a generalized logistic dependence of uniaxial compressive strength on loading rate, mechanical properties of fluid and enclosing skeleton, and on sample dimensions. The logistic form of the generalized dependence of strength of fluid‐saturated elastic–brittle porous materials is due to the competition of two interrelated processes, such as pore fluid pressure increase under solid skeleton compression and fluid outflow from the enclosing skeleton to the environment. Copyright © 2015 John Wiley & Sons, Ltd.

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The application of hybrid and hierarchical nanomaterials based on layered hydroxides and oxyhydroxides of metals is a swiftly progressing field in biomedicine. Layered double hydroxides (LDH) possess a large specific surface area, significant surface electric charge and biocompatibility. Their physical and structural properties enable them to adsorb various kinds of anionic species and to transport them into cells. However, possible side effects resulting from the interaction of LDH with anions of the intercellular and intracellular medium need to be considered, since such interaction can potentially disrupt ion transport, signaling processes, apoptosis, nutrition and proliferation of living cells. In the present paper molecular dynamics is used to determine the energies of interaction of organic anions (aspartic acid, glutamic acid and bicarbonate) with a fragment of layered double hydroxide Mg/Al-LDH. The average number of hydrogen bonds between the anions and the hydroxide surface and characteristic binding configurations are determined. Possible effects of LDH on the cell resulting from binding of protein fragments and replacement of native intracellular anions with delivered anions are considered.