Screw Dislocation

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Peter Schiavone - One of the best experts on this subject based on the ideXlab platform.

  • A Screw Dislocation in a Monoclinic Tri-Material
    Journal of Elasticity, 2020
    Co-Authors: Xu Wang, Peter Schiavone
    Abstract:

    Employing primarily analytic continuation, we derive analytical solutions to the anti-plane problem associated with a Screw Dislocation located anywhere inside an anisotropic tri-material composed of an intermediate anisotropic elastic layer of finite thickness sandwiched between two semi-infinite anisotropic elastic media. All three phases of the tri-material are monoclinic with the symmetry plane at $x_{3}=0$ in a Cartesian coordinate system. We obtain explicit expressions for each one of the three analytic functions defined in its respective anisotropic elastic phase. This allows for the complete determination of the stresses and displacement in the tri-material. In addition, we present simple yet concise expressions for the image force acting on the Screw Dislocation. An interfacial Zener-Stroh crack in the tri-material is discussed using the analytical solution developed for an interfacial Screw Dislocation.

  • A completely coated wedge crack interacting with a Screw Dislocation
    International Journal of Solids and Structures, 2020
    Co-Authors: Xu Wang, Peter Schiavone
    Abstract:

    Abstract We employ conformal mapping and analytic continuation to study the elastic field induced by a Screw Dislocation interacting with a completely coated semi-infinite wedge crack under mode III loading conditions. The Screw Dislocation can be located either inside the matrix or in the coating itself. Explicit expressions for the local wedge stress intensity factor and the image force acting on the Screw Dislocation are obtained. The Dislocation emission criterion from the completely coated wedge crack is established.

  • Elastic interaction between a semi-infinite debonded anticrack and a Screw Dislocation
    Meccanica, 2019
    Co-Authors: Xu Wang, Peter Schiavone
    Abstract:

    We study the elastic interaction between a semi-infinite debonded anticrack lying on the negative real axis and a Screw Dislocation under the assumption of anti-plane mechanical loading. The lower side of the anticrack (or rigid line inclusion) is perfectly bonded to the surrounding material in contrast to its upper side which is fully debonded. A simple closed-form solution to this interaction problem is developed by means of conformal mapping and the method of images. Specifically, we obtain expressions for the image force acting on the Screw Dislocation, the two resultant stress intensity factors respectively characterizing the r ^−3/4 and r ^−1/4 type singularities at the tip of the debonded anticrack and the resultant material force on the debonded anticrack. The Dislocation emission criterion from the debonded anticrack in terms of two critical stress intensity factors is also established.

  • Interaction between a completely coated semi-infinite insulating crack and a piezoelectric Screw Dislocation
    Zeitschrift für angewandte Mathematik und Physik, 2019
    Co-Authors: Xu Wang, Peter Schiavone
    Abstract:

    We derive analytic solutions to the problem of a completely coated semi-infinite insulating crack interacting with a Screw Dislocation under the assumption of anti-plane mechanical and in-plane electrical loading in a piezoelectric composite. The Screw Dislocation can be located either in the piezoelectric matrix or in the piezoelectric coating itself. We obtain explicit expressions for the resultant stress and electric displacement intensity factors, the resultant crack extension force and the image force acting on the Screw Dislocation. By employing orthogonality relations for two corresponding eigenvectors, we avoid tedious matrix operations in the development of the final expressions for the resultant field intensity factors, resultant crack extension force and image force.

  • interaction between a completely coated semi infinite crack and a Screw Dislocation
    Zeitschrift für Angewandte Mathematik und Physik, 2019
    Co-Authors: Xu Wang, Peter Schiavone
    Abstract:

    Using complex variable methods, we derive analytic solutions to the problem of a Screw Dislocation interacting with a completely coated semi-infinite mode III crack. The crack and the parabolic coating–matrix interface have a common focus. The Screw Dislocation can be located either in the surrounding matrix or in the coating itself. Explicit expressions for the resultant stress intensity factor at the crack tip and the image force acting on the Screw Dislocation are obtained. Several special cases are discussed in detail to demonstrate the solutions and also to validate their correctness.

Xu Wang - One of the best experts on this subject based on the ideXlab platform.

  • A Screw Dislocation in a Monoclinic Tri-Material
    Journal of Elasticity, 2020
    Co-Authors: Xu Wang, Peter Schiavone
    Abstract:

    Employing primarily analytic continuation, we derive analytical solutions to the anti-plane problem associated with a Screw Dislocation located anywhere inside an anisotropic tri-material composed of an intermediate anisotropic elastic layer of finite thickness sandwiched between two semi-infinite anisotropic elastic media. All three phases of the tri-material are monoclinic with the symmetry plane at $x_{3}=0$ in a Cartesian coordinate system. We obtain explicit expressions for each one of the three analytic functions defined in its respective anisotropic elastic phase. This allows for the complete determination of the stresses and displacement in the tri-material. In addition, we present simple yet concise expressions for the image force acting on the Screw Dislocation. An interfacial Zener-Stroh crack in the tri-material is discussed using the analytical solution developed for an interfacial Screw Dislocation.

  • A completely coated wedge crack interacting with a Screw Dislocation
    International Journal of Solids and Structures, 2020
    Co-Authors: Xu Wang, Peter Schiavone
    Abstract:

    Abstract We employ conformal mapping and analytic continuation to study the elastic field induced by a Screw Dislocation interacting with a completely coated semi-infinite wedge crack under mode III loading conditions. The Screw Dislocation can be located either inside the matrix or in the coating itself. Explicit expressions for the local wedge stress intensity factor and the image force acting on the Screw Dislocation are obtained. The Dislocation emission criterion from the completely coated wedge crack is established.

  • Elastic interaction between a semi-infinite debonded anticrack and a Screw Dislocation
    Meccanica, 2019
    Co-Authors: Xu Wang, Peter Schiavone
    Abstract:

    We study the elastic interaction between a semi-infinite debonded anticrack lying on the negative real axis and a Screw Dislocation under the assumption of anti-plane mechanical loading. The lower side of the anticrack (or rigid line inclusion) is perfectly bonded to the surrounding material in contrast to its upper side which is fully debonded. A simple closed-form solution to this interaction problem is developed by means of conformal mapping and the method of images. Specifically, we obtain expressions for the image force acting on the Screw Dislocation, the two resultant stress intensity factors respectively characterizing the r ^−3/4 and r ^−1/4 type singularities at the tip of the debonded anticrack and the resultant material force on the debonded anticrack. The Dislocation emission criterion from the debonded anticrack in terms of two critical stress intensity factors is also established.

  • Interaction between a completely coated semi-infinite insulating crack and a piezoelectric Screw Dislocation
    Zeitschrift für angewandte Mathematik und Physik, 2019
    Co-Authors: Xu Wang, Peter Schiavone
    Abstract:

    We derive analytic solutions to the problem of a completely coated semi-infinite insulating crack interacting with a Screw Dislocation under the assumption of anti-plane mechanical and in-plane electrical loading in a piezoelectric composite. The Screw Dislocation can be located either in the piezoelectric matrix or in the piezoelectric coating itself. We obtain explicit expressions for the resultant stress and electric displacement intensity factors, the resultant crack extension force and the image force acting on the Screw Dislocation. By employing orthogonality relations for two corresponding eigenvectors, we avoid tedious matrix operations in the development of the final expressions for the resultant field intensity factors, resultant crack extension force and image force.

  • interaction between a completely coated semi infinite crack and a Screw Dislocation
    Zeitschrift für Angewandte Mathematik und Physik, 2019
    Co-Authors: Xu Wang, Peter Schiavone
    Abstract:

    Using complex variable methods, we derive analytic solutions to the problem of a Screw Dislocation interacting with a completely coated semi-infinite mode III crack. The crack and the parabolic coating–matrix interface have a common focus. The Screw Dislocation can be located either in the surrounding matrix or in the coating itself. Explicit expressions for the resultant stress intensity factor at the crack tip and the image force acting on the Screw Dislocation are obtained. Several special cases are discussed in detail to demonstrate the solutions and also to validate their correctness.

Joseph Morillo - One of the best experts on this subject based on the ideXlab platform.

  • Screw Dislocation in hcp ti dft Dislocation excess energies and metastable core structures
    Modelling and Simulation in Materials Science and Engineering, 2014
    Co-Authors: Nathalie Tarrat, Lisa Ventelon, Magali Benoit, D Caillard, Nicolas Combe, Joseph Morillo
    Abstract:

    An extensive DFT search of (meta)stable structures of the a � 11 ¯ 20 � Screw Dislocation in hcp-Ti is presented. It reveals that the stable core structures are never basal but always prismatic. This prismatic core dissociates into two partial Dislocations in the same or neighboring prismatic planes depending on the initial position of the Dislocation line, leading to either a symmetric or an asymmetric core. An alternative way of defining the core region from an electronic structure point of view is also proposed. It evidences clearly the symmetric or asymmetric character of the cores. We then introduce an ansatz for a straightforward and fast calculation of the excess energy, per unit length of Dislocation, of a Screw Dislocation applicable to DFT calculations, in the cluster approach. The method is first validated on calculations of a a � 11 ¯ 20 � Screw Dislocation in hcp-Ti, performed with an EAM potential from which exact excess energies can be extracted. Then, it is shown that it does work in a DFT calculation, through its application to the same Screw Dislocation in hcp-Ti with an accuracy of 8.4 meV/A (1.8% of the excess energy for a cluster of 126 atoms per plane normal to the Dislocation line). The comparison of the excess energies of the symmetric and assymmetric cores, calculated with the proposed ansatz, reveals that their energy difference is within the uncertainty

  • Screw Dislocation in hcp Ti : DFT Dislocation excess energies and metastable core structures
    Modelling and Simulation in Materials Science and Engineering, 2014
    Co-Authors: Nathalie Tarrat, Lisa Ventelon, Magali Benoit, D Caillard, Nicolas Combe, Joseph Morillo
    Abstract:

    An extensive DFT search of (meta)stable structures of the a/3 〈112̄0〉 Screw Dislocation in hcp-Ti is presented. It reveals that the stable core structures are never basal but always prismatic. This prismatic core dissociates into two partial Dislocations in the same or neighboring prismatic planes depending on the initial position of the Dislocation line, leading to either a symmetric or an asymmetric core. An alternative way of defining the core region from an electronic structure point of view is also proposed. It evidences clearly the symmetric or asymmetric character of the cores. We then introduce an ansatz for a straightforward and fast calculation of the excess energy, per unit length of Dislocation, of a Screw Dislocation applicable to DFT calculations, in the cluster approach. The method is first validated on calculations of a a/3 〈112̄0〉 Screw Dislocation in hcp-Ti, performed with an EAM potential from which exact excess energies can be extracted. Then, it is shown that it does work in a DFT calculation, through its application to the same Screw Dislocation in hcp-Ti with an accuracy of 8.4 meV/Å (1.8% of the excess energy for a cluster of 126 atoms per plane normal to the Dislocation line). The comparison of the excess energies of the symmetric and assymmetric cores, calculated with the proposed ansatz, reveals that their energy difference is within the uncertainty of the method, which implies that the potential energy surface is very flat and that there could be many metastable core structures in hcp-Ti. © 2014 IOP Publishing Ltd.

Lisa Ventelon - One of the best experts on this subject based on the ideXlab platform.

  • Screw Dislocation in hcp ti dft Dislocation excess energies and metastable core structures
    Modelling and Simulation in Materials Science and Engineering, 2014
    Co-Authors: Nathalie Tarrat, Lisa Ventelon, Magali Benoit, D Caillard, Nicolas Combe, Joseph Morillo
    Abstract:

    An extensive DFT search of (meta)stable structures of the a � 11 ¯ 20 � Screw Dislocation in hcp-Ti is presented. It reveals that the stable core structures are never basal but always prismatic. This prismatic core dissociates into two partial Dislocations in the same or neighboring prismatic planes depending on the initial position of the Dislocation line, leading to either a symmetric or an asymmetric core. An alternative way of defining the core region from an electronic structure point of view is also proposed. It evidences clearly the symmetric or asymmetric character of the cores. We then introduce an ansatz for a straightforward and fast calculation of the excess energy, per unit length of Dislocation, of a Screw Dislocation applicable to DFT calculations, in the cluster approach. The method is first validated on calculations of a a � 11 ¯ 20 � Screw Dislocation in hcp-Ti, performed with an EAM potential from which exact excess energies can be extracted. Then, it is shown that it does work in a DFT calculation, through its application to the same Screw Dislocation in hcp-Ti with an accuracy of 8.4 meV/A (1.8% of the excess energy for a cluster of 126 atoms per plane normal to the Dislocation line). The comparison of the excess energies of the symmetric and assymmetric cores, calculated with the proposed ansatz, reveals that their energy difference is within the uncertainty

  • Screw Dislocation in hcp Ti : DFT Dislocation excess energies and metastable core structures
    Modelling and Simulation in Materials Science and Engineering, 2014
    Co-Authors: Nathalie Tarrat, Lisa Ventelon, Magali Benoit, D Caillard, Nicolas Combe, Joseph Morillo
    Abstract:

    An extensive DFT search of (meta)stable structures of the a/3 〈112̄0〉 Screw Dislocation in hcp-Ti is presented. It reveals that the stable core structures are never basal but always prismatic. This prismatic core dissociates into two partial Dislocations in the same or neighboring prismatic planes depending on the initial position of the Dislocation line, leading to either a symmetric or an asymmetric core. An alternative way of defining the core region from an electronic structure point of view is also proposed. It evidences clearly the symmetric or asymmetric character of the cores. We then introduce an ansatz for a straightforward and fast calculation of the excess energy, per unit length of Dislocation, of a Screw Dislocation applicable to DFT calculations, in the cluster approach. The method is first validated on calculations of a a/3 〈112̄0〉 Screw Dislocation in hcp-Ti, performed with an EAM potential from which exact excess energies can be extracted. Then, it is shown that it does work in a DFT calculation, through its application to the same Screw Dislocation in hcp-Ti with an accuracy of 8.4 meV/Å (1.8% of the excess energy for a cluster of 126 atoms per plane normal to the Dislocation line). The comparison of the excess energies of the symmetric and assymmetric cores, calculated with the proposed ansatz, reveals that their energy difference is within the uncertainty of the method, which implies that the potential energy surface is very flat and that there could be many metastable core structures in hcp-Ti. © 2014 IOP Publishing Ltd.

  • Dislocation core field ii Screw Dislocation in iron
    Physical Review B, 2011
    Co-Authors: Emmanuel Clouet, Lisa Ventelon, F. Willaime
    Abstract:

    The Dislocation core field, which comes in addition to the Volterra elastic field, is studied for the $\ensuremath{\langle}111\ensuremath{\rangle}$ Screw Dislocation in $\ensuremath{\alpha}$-iron. This core field, evidenced and characterized using ab initio calculations, corresponds to a biaxial dilatation, which we modeled within the anisotropic linear elasticity. We show that this core field needs to be considered when extracting quantitative information from atomistic simulations, such as Dislocation core energies. Finally, we look at how Dislocation properties are modified by this core field by studying the interaction between two Dislocations composing a dipole, as well as the interaction of a Screw Dislocation with a carbon atom.

  • Dislocation core field. II. Screw Dislocation in iron
    Physical Review B: Condensed Matter and Materials Physics, 2011
    Co-Authors: Emmanuel Clouet, Lisa Ventelon, F. Willaime
    Abstract:

    The Dislocation core field, which comes in addition to the Volterra elastic field, is studied for the Screw Dislocation in alpha-iron. This core field, evidenced and characterized using ab initio calculations, corresponds to a biaxial dilatation, which we modeled within the anisotropic linear elasticity. We show that this core field needs to be considered when extracting quantitative information from atomistic simulations, such as Dislocation core energies. Finally, we look at how Dislocation properties are modified by this core field, by studying the interaction between two Dislocations composing a dipole, as well as the interaction of a Screw Dislocation with a carbon atom.

Qihong Fang - One of the best experts on this subject based on the ideXlab platform.