Instytut Podstawowych Problemów Techniki

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A remarkable plastic flow instability is observed during tensile deformation of the commercial 304 stainless-steel sheet at room temperature. It has been found that the occurrence of plastic flow instability in 304 is dependent on the strain rate and specimen gage length. Moreover, it is essentially the same as the necking caused by plastic instability in 316L. However, the enhanced strain hardening resulting from deformation-induced martensitic transformation facilitates the orderly propagation of the strain-localized band.

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Investigations by electron backscatter diffraction (EBSD) and X-ray diffraction with the use of synchrotron radiation, as well as parallel extended finite element (XFEM) simulations, reveal the evolution of the 316L stainless steel microstructure in the vicinity of a macro-crack developing at the temperature of liquid helium (4.2 K). The fracture propagation induces a dynamic, highly localized phase transformation of face-centred cubic austenite into α' martensite with a body-centred cubic structure. Synchrotron studies show that the texture of the primary phase controls the transition process. The austenite grains, tending to the stable Brass orientation, generate three mechanisms of the phase transformation. EBSD studies reveal that the secondary phase particles match the ordered austenitic matrix. Hence, interphase boundaries with the Pitsch disorientation are most often formed and α’ martensite undergoes intensive twinning. The XFEM simulations, based on the experimentally determined kinetics of the phase transformation and on the relevant constitutive relationships, reveal that the macro-crack propagates mainly in the martensitic phase. Synchrotron and EBSD studies confirm the almost 100% content of the secondary phase at the fracture surface. Moreover, they indicate that the boundaries formed then are largely random. As a result, the primary beneficial role of martensite as reinforcing particles is eliminated.

Słowa kluczowe:

austenitic steel, cryogenic temperatures, fracture process, fcc-bcc phase transformation, synchrotron radiation, electron backscatter diffraction, XFEM simulation

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Electron back-scattered diffraction (EBSD) studies carried out for the Cu/α−Al2O3 composites manufactured by pulsed laser deposition method and by the powder metallurgy enable to uncover a set of orientation relationships characteristic for materials of this type. The identified interfaces are categorized according to the bonding strength. Additionally, their microstructure is reproduced by molecular dynamic (MD) simulations. The obtained classification of the phase boundaries constitutes key information for effective composite design.

Słowa kluczowe:

EBSD, Cu/α−Al2O3 composites, PLD, bonding strength, molecular dynamics simulation

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A Nd:YAG laser operating at a wavelength of 266 or 355 nm is used to deposit a thin layer of copper on the (0 0 0 1)α-Al2O3 surface. The formation process is precisely controlled by identification of time distribution of two characteristics: energy and flux density of particles incident on the substrate. For this purpose, the Cu-plasma expansion is described by means of an analytical hydrodynamic model whose self-similar solutions are fitted to the experimental plasma images and time-of-flight spectra. The obtained nanocomposite is examined by the aberration-corrected high-resolution transmission electron microscopy (Cs-HRTEM) method. The results reveal that copper crystals assume one main orientation relative to the substrate (1 1 1)[2 −1 −1]Cu∥ (0 0 0 1)[−1 −1 2 0]α–Al2O3 and the formed interface has a specific microstructure. To reconstruct the phase boundary region, molecular dynamic (MD) and static (MS) simulations are carried out. The results show that strong bonding between copper and sapphire induces structural changes in the (1 1 1) Cu layer nearest the substrate and leads to formation of the system of partially dissociated dislocations in the next layer. In consequence, the Cu/α–Al2O3 interface becomes the semicoherent system. The lattice matching regions of the individual Cu layers are significantly lowered, which results in strong deformations along the closed packed planes. The reconstructed interface is used for Cs-HRTEM image simulation. A good accordance with the experimental results indicates that the MD model correctly maps the microstructure at the phase boundary of the synthesized nanocomposite.

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Using the results of High Resolution Transmission Electron Microscopy studies on epitaxial layers fcc metal/corundum we have proposed atomistic model of the interfacial structure of the Al2O3-Ni composite.

Słowa kluczowe:

High Resolution Transmission Electron Microscopy, epitaxial layers, fcc meta/corundum, CTIP+EAM model, strength of the interface

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W pracy przedyskutowano aktualne problemy modelowania własności mechanicznych metali o strukturze nanometrycznej. Omówiono możliwości opisu deformacji sprężysto-plastycznej i lepkoplastycznej materiałów o bimodalnym rozkładzie ziarn. Przedstawiono wyniki badań sprężystych własności nanoziarn oraz identyfikacji ich spręzystych stanów granicznych z zastosowaniem kwantowo-mechanicznych obliczeń z pierwszych zasad (ab initio) na przykładzie idealnego kryształu miedzi. Wskazano na możliwości dalszych badań zmierzających do opracowania przesłanek potrzebnych do projektowania nanomateriałów.

Słowa kluczowe:

nanometale, obliczenia ab initio, kryształ miedzi, modelowanie własnosci mechanicznych, sprężyste stany graniczne

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Using three different methods namely, CDT (Continuous Dislocation Theory), molecular TB - SMA (Tight Binding Second Moment Approximation) type many - body potential, and MEM (Molecular Effective Medium) theory, we are looking for the best possible reconstruction of dislocations in Cu - Al 2 O 3 heterostructure.

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Recent investigations reveal that interface bonding strength is dependent on the relative orientation of crystallites of the both phases [2]. The experimental, theoretical and computational investigations confirm this observation in the case of Cu/Al2O3 system, [3], [4]. It is shown that the statistical distribution of the values of interface strength for different relative orientations of bonded phases should be included in the phenomenological model of the damage initiation in nanocomposites. The novelty of the presented study is the combination of different experimental techniques: HRTEM, EBSD and molecular dynamics simulations with phenomenological theory of damage development in nanocomposites due to debonding at the interphase boundary [5], [6], [7]. A class of new models with the yield condition determined by one of quadric surfaces, in particular paraboloid or ellipsoid one is considered and the comparison with popular Gurson approach is discussed, [8].

Słowa kluczowe:

nanocompistes, strength, interface, bonding, HRTEM, EBSD, molecular dynamics

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Streszczenie:

The composition of metal with ceramics is applied to many devices, structural elements of machines as well as their equipment. Therefore, evaluating the strength of interfaces of this type becomes an important scientific issue of fundamental character. Numerous attempts are made to solve the posed problem, both experimental and theoretical ones. The presented approach enables local, more precise determining the mechanical properties of interfaces. The basis of conducted calculations is the geometry of the interface strongly preferred by the considered system of materials. It is defined by the mutual orientation of crystallites of two phases and the position of the plane boundary. The combination of two advanced research methods: electron back-scatter diffraction (EBSD) and high resolution transmission electron microscopy (HRTEM) enables identification of this crucial characteristics. The second of them additionally reveals a representative microstructure of the interface in the form of a projection. We reconstruct it in three dimensions by means of molecular dynamics (MD) simulations. In this way, we identify deformation mechanisms that enable the formation of the bonding between the metallic phase and ceramic one.

Słowa kluczowe:

nanocomposites, deformation in interface, HRTEM

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The aim of the presentation is to discuss the classical problems of elastic limit criteria from the perspective of basic quantum mechanical approach [1]. In the case of metallic solids the multiscale mechanisms of plastic deformation and failure are analyzed [2]. In particular, the role of shear banding responsible for plastic flow is elucidated [3].

Słowa kluczowe:

elastic limit criteria, metal/ceramic interface, copper/saphire nanocomposites, PLD, HRTEM, EBSD

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A method for reconstruction of atomistic models of dislocations and stacking faults in the interfacial region of heterostructures is presented. Its mathematical foundations come back to the algebra of the finite deformation fields related to introducing of discrete dislocations into an initially coherent interface. From the practical point of view the method concerns generation of interfacial regions with misfit/treading partial dislocations and stacking faults being formed in the interfacial region between crystal structures of different crystallographic type.

Słowa kluczowe:

atomistic models, dislocations, stacking faults, lattice distortion

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