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Vol 20, No 3 (2017)

Article

Modeling of thermomechanical fracture of functionally graded materials with respect to multiple crack interaction

Petrova V.E., Schmauder S.

Abstract

Different aspects of thermomechanical fracture of functionally graded materials (FGMs) are considered. Among them are the crack interaction problems in a functionally graded coating on a homogeneous substrate (FGM/H). The interaction between systems of edge cracks is investigated, as well as, how this mutual interaction influences the fracture process and the formation of crack patterns. The problem is formulated with respect to singular integral equations which are referred to the boundary equation methods. The FGM properties are modeled by exponential functions. The main fracture characteristics are calculated, namely, the stress intensity factors, the angles of deviation of the cracks from their initial propagation direction and the critical stresses when the crack starts to propagate. The last two characteristics are calculated using an appropriate fracture criterion. The problem contains different parameters, such as the geometry (location and orientation of cracks, their lengths, and the width of the FGM layer) and material parameters, i.e. the inhomogeneity parameters of elastic and thermal coefficients of the functionally graded material. The influence of these parameters on the thermo-mechanical fracture of FGM/H is investigated. As examples the following real material combinations are discussed: TiC/SiC, Al2O3/MoSi2, MoSi2/SiC, ZrO2/nickel and ZrO2/steel.

Physical Mesomechanics. 2017;20(3):241-249
pages 241-249 views

Micropolar theory with production of rotational inertia: A farewell to material description

Müller W.H., Vilchevskaya E.N., Weiss W.

Abstract

This paper takes a new look at micropolar media. Initially the necessary theoretical framework for a micropolar continuum is presented. To this end the standard macroscopic equations for mass, linear and angular momentum are complemented by a recently proposed kinetic equation for the moment of inertia tensor containing a production term. The main purpose of this paper is to study possible forms of this production term and its effects. For this reason two examples are investigated. In the first example we study a continuum of hollow particles subjected to an external pressure and gravity, such that the number of particles does not change. In the second example a continuous stream of matter through a crusher is considered so that the total number of particles will change. In context with these examples it will also become clear that the traditional Lagrangian way of describing the motion of solids is no longer adequate and should be superseded by an Eulerian approach.

Physical Mesomechanics. 2017;20(3):250-262
pages 250-262 views

Micropolar theory from the viewpoint of mesoscopic and mixture theories

Müller W.H., Vilchevskaya E.N.

Abstract

This paper takes a nontraditional look at micropolar media. It emphasizes the idea that it may become necessary to abandon the concept of material particles if one wishes to describe micropolar matter in which structural changes or chemical reactions occur. Based on recent results presented by Ivanova and Vilchevskaya (2016) we will proceed as follows. First we shall summarize the theory required for handling such situations in terms of a single macroscopic continuum. Mne of its main features are new balance equations for the local tensors of inertia containing production terms. The new balances and in particular the productions will then be interpreted mesoscopically by taking the inner structure of micropolar matter into account. As an alternative way of understanding the new relations we shall also attempt to use the concepts of the theory of mixtures. However, we shall see by example that this line of reasoning has its limitations: A binary mixture of electrically charged species subjected to gravity will segregate. Hence it is impossible to use a single continuum for modeling this kind of motion. However, in this context it will also become clear that the traditional Lagrangian way of describing motion of structurally transforming materials is no longer adequate and should be superseded by the Eulerian approach.

Physical Mesomechanics. 2017;20(3):263-279
pages 263-279 views

Effects of plastic distortion in the lattice curvature zone of a crack tip

Panin V.E., Moiseenko D.D., Maksimov P.V., Panin S.V.

Abstract

The paper proposes a discrete-continual method of excitable cellular automata for simulating the stress-strain state at crack tips and in notches with account of lattice curvature and plastic distortion through ion motion from lattice sites to interstices. The proposed nonlinear method allows one to determine the crack type and the character of fracture, to predict the possibility of dynamic rotations and structural turbulence, and to describe the processes of nonlinear wave structural transformations in strain localization bands involved in microporosity and tearing mode cracking.

Physical Mesomechanics. 2017;20(3):280-290
pages 280-290 views

Molecular dynamics investigations of the strengthening of Al-Cu alloys during thermal ageing

Verestek W., Prskalo A., Hummel M., Binkele P., Schmauder S.

Abstract

Classical molecular dynamics simulations of the interaction of edge dislocations with solid soluted copper atoms and Guinier-Preston zones (I and II) in aluminium are performed using embedded atom method potentials. Hereby, the strengthening mechanism and its modulus are identified for different stages of thermally aged Al-Cu alloys. Critical resolved shear stresses are calculated for different concentrations of solid soluted copper. In case of precipitate strengthening, the Guinier-Preston zone size, its orientation and offset from the dislocation plane are taken as simulation parameters. It is found that in case of solid soluted copper, the critical resolved shear stress is proportional to the copper concentration. In case of the two subsequent aging stages both the dislocation depinning mechanism as well as the depinning stress are highly dependent on the Guinier-Preston zone orientation and to a lesser degree to its size.

Physical Mesomechanics. 2017;20(3):291-304
pages 291-304 views

Localized heat perturbation in harmonic 1D crystals: Solutions for the equation of anomalous heat conduction

Sokolov A.A., Krivtsov A.M., Müller W.H.

Abstract

In this paper exact analytical solutions for the equation that describes anomalous heat propagation in a harmonic 1D lattices are obtained. Rectangular, triangular and sawtooth initial perturbations of the temperature field are considered. The solution for an initially rectangular temperature profile is investigated in detail. It is shown that the decay of the solution near the wavefront is proportional to \(1/\sqrt t \). In the center of the perturbation zone the decay is proportional to 1/t. Thus, the solution decays slower near the wavefront, leaving clearly visible peaks that can be detected experimentally.

Physical Mesomechanics. 2017;20(3):305-310
pages 305-310 views

Crystal plasticity study on stress and strain partitioning in a measured 3D dual phase steel microstructure

Diehl M., An D., Shanthraj P., Zaefferer S., Roters F., Raabe D.

Abstract

Dual phase steels are advanced high strength alloys typically used for structural parts and reinforcements in car bodies. Their good combination of strength and ductility and their lean composition render them an economically competitive option for realizing multiple lightweight design options in automotive engineering. The mechanical response of dual phase steels is the result of the strain and stress partitioning among the ferritic and martensitic phases and the individual crystallographic grains and subgrains of these phases. Therefore, understanding how these microstructural features influence the global and local mechanical properties is of utmost importance for the design of improved dual phase steel grades. While multiple corresponding simulation studies have been dedicated to the investigation of dual phase steel micromechanics, numerical tools and experiment techniques for characterizing and simulating real 3D microstructures of such complex materials have been emerged only recently. Here we present a crystal plasticity simulation study based on a 3D dual phase microstructure which is obtained by EBSD tomography, also referred to as 3D EBSD (EBSD—electron backscatter diffraction). In the present case we utilized a 3D EBSD serial sectioning approach based on mechanical polishing. Moreover, sections of the 3D microstructure are used as 2D models to study the effect of this simplification on the stress and strain distribution. The simulations are conducted using a phenomenological crystal plasticity model and a spectral method approach implemented in the Düsseldorf Advanced Material Simulation Kit (DAMASK).

Physical Mesomechanics. 2017;20(3):311-323
pages 311-323 views

Micromechanical model of deformation-induced surface roughening in polycrystalline materials

Romanova V.A., Balokhonov R.R., Panin A.V., Batukhtina E.E., Kazachenok M.S., Shakhijanov V.S.

Abstract

A micromechanical model has been developed to describe deformation-induced surface roughening in polycrystalline materials. The three-dimensional polycrystalline structure is taken into account in an explicit form with regard to the crystallographic orientation of grains to simulate the micro- and mesoscale deformation processes. Constitutive relations for describing the grain response are derived on the basis of crystal plasticity theory that accounts for the anisotropy of elastic-plastic properties governed by the crystal lattice structure. The micromechanical model is used to numerically study surface roughening in microvolumes of polycrystalline aluminum and titanium under uniaxial tensile deformation. Two characteristic roughness scales are distinguished in the both cases. At the microscale, normal displacements relative to the free surface are caused by the formation of dislocation steps in grains emerging on the surface and by the displacement of neighboring grains relative to each other. Microscale roughness is more pronounced in titanium, which is due to the high level of elastic-plastic anisotropy typical of hcp crystals. The mesoscale roughness includes undulations and cluster structures formed with the involvement of groups of grains. The roughness is quantitatively evaluated using a dimensionless parameter, called the degree of roughness, which reflects the degree of surface shape deviation from a plane. An exponential dependence of the roughness degree on the strain degree is obtained.

Physical Mesomechanics. 2017;20(3):324-333
pages 324-333 views

Computational mesomechanics of titanium surface-hardened by ultrasonic treatment

Balokhonov R.R., Romanova V.A., Panin A.V., Kazachenok M.S.

Abstract

This paper studies plastic strain localization and stress-strain evolution in commercial titanium specimens with an ultrasonically treated surface. A dynamic plane strain boundary-value problem is numerically solved by the finite difference method. The microstructure and mechanical properties of the composition are specified in the calculations based on microhardness measurements, mechanical tensile tests, and metallographic studies. The dependences of the plastic flow localization characteristics on the geometry and mechanical properties of ultrasonically treated surface layers have been established. Plastic strain localization is found to depend on the geometry and mechanical properties of ultrasonically treated surface layers.

Physical Mesomechanics. 2017;20(3):334-342
pages 334-342 views

Micromechanical modeling approach to derive the yield surface for BCC and FCC steels using statistically informed microstructure models and nonlocal crystal plasticity

Vajragupta N., Ahmed S., Boeff M., Ma A., Hartmaier A.

Abstract

In order to describe irreversible deformation during metal forming processes, the yield surface is one of the most important criteria. Because of their simplicity and efficiency, analytical yield functions along with experimental guidelines for parameterization become increasingly important for engineering applications. However, the relationship between most of these models and microstructural features are still limited. Hence, we propose to use micromechanical modeling, which considers important microstructural features, as a part of the solution to this missing link. This study aims at the development of a micromechanical modeling strategy to calibrate material parameters for the advanced analytical initial yield function Barlat YLD 2004-18p. To accomplish this, the representative volume element is firstly created based on a method making use of the statistical description of microstructure morphology as input parameter. Such method couples particle simulations to radical Voronoi tessellations to generate realistic virtual microstructures as representative volume elements. Afterwards, a nonlocal crystal plasticity model is applied to describe the plastic deformation of the representative volume element by crystal plasticity finite element simulation. Subsequently, an algorithm to construct the yield surface based on the crystal plasticity finite element simulation is developed. The primary objectives of this proposed algorithm are to automatically capture and extract the yield loci under various loading conditions. Finally, a nonlinear least square optimization is applied to determine the material parameters of Barlat YLD 2004-18p initial yield function of representative volume element, mimicking generic properties of bcc and fcc steels from the numerical simulations.

Physical Mesomechanics. 2017;20(3):343-352
pages 343-352 views

Generation of rotational fields due to thermal motion of atoms in metals

Golovnev I.F., Golovneva E.I.

Abstract

Molecular dynamics investigation is performed on rotational fields in an isolated nanosized metal crystal at a certain temperature. Such fields are shown to exist even without external mechanical action. We investigate how the temperature and size of nanostructures affect specific rotational energies of atom subsystems. Statistical processing of the numerical data is used to find the dependence of the specific rotational energy of atoms on the structure temperature and size.

Physical Mesomechanics. 2017;20(3):353-356
pages 353-356 views