The Experts below are selected from a list of 264 Experts worldwide ranked by ideXlab platform

Raymundo Arroyave - One of the best experts on this subject based on the ideXlab platform.

  • Effect of A mixing on elastic modulus, Cleavage Stress, and shear Stress in the Ti 3 ( Si x Al 1 − x ) C 2 MAX phase
    Physical Review B, 2017
    Co-Authors: Woongrak Son, Miladin Radovic, Haihui Gao, Anjana Talapatra, Thien Duong, Raymundo Arroyave
    Abstract:

    Solid solution MAX phases offer the opportunity for further tuning of the thermomechanical and functional properties of MAX phases, increasing their envelope of performance. Previous experimental results show that the lattice parameters of ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ decrease, while the Young's modulus increases with increased Si content in the lattice. In this work, we present a computational investigation of the structural, electronic, and mechanical properties of ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ $(x=0$, 0.25, 0.5, 0.75, and 1). The solid solutions were modeled using special quasirandom structures (SQS) and calculated using density functional theory (DFT), which is implemented in the Vienna ab initio simulation package (VASP). The SQS structures represent random mixing of Al and Si in the A sublattice of 312 MAX phase and their structural, electronic, and mechanical properties were calculated and compared with experiments. We study the Cleavage and slip behavior of ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ to investigate the deformation behavior in terms of Cleavage and shear. It has been shown that the Cleavage between M and A layers results in increasing Cleavage Stress in ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ as a function of Si content in the lattice. In addition, the shear deformation of hexagonal close packed ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ under $\ensuremath{\langle}2\overline{1}\overline{1}0\ensuremath{\rangle}\left\{0001\right\}$ and $\ensuremath{\langle}0\overline{1}10\ensuremath{\rangle}\left\{0001\right\}$ results in increasing unstable stacking fault energy (USFE) and ideal shear strength (ISS) in ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ as the system becomes richer in Si.

  • effect of a mixing on elastic modulus Cleavage Stress and shear Stress in the ti 3 si x al 1 x c 2 max phase
    Physical Review B, 2017
    Co-Authors: Woongrak Son, Miladin Radovic, Haihui Gao, Anjana Talapatra, Thien Duong, Raymundo Arroyave
    Abstract:

    Solid solution MAX phases offer the opportunity for further tuning of the thermomechanical and functional properties of MAX phases, increasing their envelope of performance. Previous experimental results show that the lattice parameters of ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ decrease, while the Young's modulus increases with increased Si content in the lattice. In this work, we present a computational investigation of the structural, electronic, and mechanical properties of ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ $(x=0$, 0.25, 0.5, 0.75, and 1). The solid solutions were modeled using special quasirandom structures (SQS) and calculated using density functional theory (DFT), which is implemented in the Vienna ab initio simulation package (VASP). The SQS structures represent random mixing of Al and Si in the A sublattice of 312 MAX phase and their structural, electronic, and mechanical properties were calculated and compared with experiments. We study the Cleavage and slip behavior of ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ to investigate the deformation behavior in terms of Cleavage and shear. It has been shown that the Cleavage between M and A layers results in increasing Cleavage Stress in ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ as a function of Si content in the lattice. In addition, the shear deformation of hexagonal close packed ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ under $\ensuremath{\langle}2\overline{1}\overline{1}0\ensuremath{\rangle}\left\{0001\right\}$ and $\ensuremath{\langle}0\overline{1}10\ensuremath{\rangle}\left\{0001\right\}$ results in increasing unstable stacking fault energy (USFE) and ideal shear strength (ISS) in ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ as the system becomes richer in Si.

Woongrak Son - One of the best experts on this subject based on the ideXlab platform.

  • Effect of A mixing on elastic modulus, Cleavage Stress, and shear Stress in the Ti 3 ( Si x Al 1 − x ) C 2 MAX phase
    Physical Review B, 2017
    Co-Authors: Woongrak Son, Miladin Radovic, Haihui Gao, Anjana Talapatra, Thien Duong, Raymundo Arroyave
    Abstract:

    Solid solution MAX phases offer the opportunity for further tuning of the thermomechanical and functional properties of MAX phases, increasing their envelope of performance. Previous experimental results show that the lattice parameters of ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ decrease, while the Young's modulus increases with increased Si content in the lattice. In this work, we present a computational investigation of the structural, electronic, and mechanical properties of ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ $(x=0$, 0.25, 0.5, 0.75, and 1). The solid solutions were modeled using special quasirandom structures (SQS) and calculated using density functional theory (DFT), which is implemented in the Vienna ab initio simulation package (VASP). The SQS structures represent random mixing of Al and Si in the A sublattice of 312 MAX phase and their structural, electronic, and mechanical properties were calculated and compared with experiments. We study the Cleavage and slip behavior of ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ to investigate the deformation behavior in terms of Cleavage and shear. It has been shown that the Cleavage between M and A layers results in increasing Cleavage Stress in ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ as a function of Si content in the lattice. In addition, the shear deformation of hexagonal close packed ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ under $\ensuremath{\langle}2\overline{1}\overline{1}0\ensuremath{\rangle}\left\{0001\right\}$ and $\ensuremath{\langle}0\overline{1}10\ensuremath{\rangle}\left\{0001\right\}$ results in increasing unstable stacking fault energy (USFE) and ideal shear strength (ISS) in ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ as the system becomes richer in Si.

  • effect of a mixing on elastic modulus Cleavage Stress and shear Stress in the ti 3 si x al 1 x c 2 max phase
    Physical Review B, 2017
    Co-Authors: Woongrak Son, Miladin Radovic, Haihui Gao, Anjana Talapatra, Thien Duong, Raymundo Arroyave
    Abstract:

    Solid solution MAX phases offer the opportunity for further tuning of the thermomechanical and functional properties of MAX phases, increasing their envelope of performance. Previous experimental results show that the lattice parameters of ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ decrease, while the Young's modulus increases with increased Si content in the lattice. In this work, we present a computational investigation of the structural, electronic, and mechanical properties of ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ $(x=0$, 0.25, 0.5, 0.75, and 1). The solid solutions were modeled using special quasirandom structures (SQS) and calculated using density functional theory (DFT), which is implemented in the Vienna ab initio simulation package (VASP). The SQS structures represent random mixing of Al and Si in the A sublattice of 312 MAX phase and their structural, electronic, and mechanical properties were calculated and compared with experiments. We study the Cleavage and slip behavior of ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ to investigate the deformation behavior in terms of Cleavage and shear. It has been shown that the Cleavage between M and A layers results in increasing Cleavage Stress in ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ as a function of Si content in the lattice. In addition, the shear deformation of hexagonal close packed ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ under $\ensuremath{\langle}2\overline{1}\overline{1}0\ensuremath{\rangle}\left\{0001\right\}$ and $\ensuremath{\langle}0\overline{1}10\ensuremath{\rangle}\left\{0001\right\}$ results in increasing unstable stacking fault energy (USFE) and ideal shear strength (ISS) in ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ as the system becomes richer in Si.

Philippe Bompard - One of the best experts on this subject based on the ideXlab platform.

  • Propagation and arrest of Cleavage cracks in a nuclear pressure vessel steel
    Computational Materials Science, 2012
    Co-Authors: Amaury Bousquet, Stéphane Marie, Philippe Bompard
    Abstract:

    he safety of nuclear structures is crucial while the service time of nuclear power stations is planned to be extended up to 60 years. Initiation stage of cracks is still considered as a key issue, but more and more component integrity analyses investigate the crack arrest possibility. This study deals with physical mechanisms of Cleavage crack propagation and numerical computations related to brittle fracture. Exper- iments using standard measuring techniques and a high-speed framing camera system, as well as Scan- ning Electron Microscope fracture surface analyses were carried out on thin CT specimens made of 16MND5 PWR vessel steel. The elastic-viscoplastic behavior of the ferritic steel has been studied and taken into account in numerical simulations. The eXtended Finite Element Method (X-FEM) is used in CAST3M finite element analysis software to model crack propagation. Numerical computations combine a local non-linear dynamic approach and a fracture criterion based on critical Cleavage Stress, whereas current standards in the nuclear field use a global static approach to fracture to depict crack initiation and arrest. The links of the criterion with temperature and strain rate are considered thanks to experi- ments, SEM fractographies and 2D computations in order to get a robust physical model which can be effective for model-based predictions of industrial structures.

  • prediction of Cleavage fracture for a low alloy steel in the ductile to brittle transition temperature range
    Materials Science and Engineering A-structural Materials Properties Microstructure and Processing, 2005
    Co-Authors: Clotilde Berdin, Petr Hausild, Philippe Bompard
    Abstract:

    This paper attempts to predict the Cleavage fracture probability for a low-alloy bainitic steel. Fractographic analysis of broken compact tension (CT) and Charpy V-notch (CVN) specimens was performed. An evolution of physical mechanisms of Cleavage initiation was found: cracked-particle-induced Cleavage was observed at low temperature, whereas a plasticity-induced mechanism was assumed as temperature increases. To take into account these observations, temperature-dependent Weibull parameters were used in the Beremin model. The introduction of a threshold Cleavage Stress was necessary to account for the skewness of the fracture probability distribution. With these parameters identified on the instrumented Charpy data set, the fracture toughness Jc was successfully predicted in the DBTT range.

Miladin Radovic - One of the best experts on this subject based on the ideXlab platform.

  • Effect of A mixing on elastic modulus, Cleavage Stress, and shear Stress in the Ti 3 ( Si x Al 1 − x ) C 2 MAX phase
    Physical Review B, 2017
    Co-Authors: Woongrak Son, Miladin Radovic, Haihui Gao, Anjana Talapatra, Thien Duong, Raymundo Arroyave
    Abstract:

    Solid solution MAX phases offer the opportunity for further tuning of the thermomechanical and functional properties of MAX phases, increasing their envelope of performance. Previous experimental results show that the lattice parameters of ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ decrease, while the Young's modulus increases with increased Si content in the lattice. In this work, we present a computational investigation of the structural, electronic, and mechanical properties of ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ $(x=0$, 0.25, 0.5, 0.75, and 1). The solid solutions were modeled using special quasirandom structures (SQS) and calculated using density functional theory (DFT), which is implemented in the Vienna ab initio simulation package (VASP). The SQS structures represent random mixing of Al and Si in the A sublattice of 312 MAX phase and their structural, electronic, and mechanical properties were calculated and compared with experiments. We study the Cleavage and slip behavior of ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ to investigate the deformation behavior in terms of Cleavage and shear. It has been shown that the Cleavage between M and A layers results in increasing Cleavage Stress in ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ as a function of Si content in the lattice. In addition, the shear deformation of hexagonal close packed ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ under $\ensuremath{\langle}2\overline{1}\overline{1}0\ensuremath{\rangle}\left\{0001\right\}$ and $\ensuremath{\langle}0\overline{1}10\ensuremath{\rangle}\left\{0001\right\}$ results in increasing unstable stacking fault energy (USFE) and ideal shear strength (ISS) in ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ as the system becomes richer in Si.

  • effect of a mixing on elastic modulus Cleavage Stress and shear Stress in the ti 3 si x al 1 x c 2 max phase
    Physical Review B, 2017
    Co-Authors: Woongrak Son, Miladin Radovic, Haihui Gao, Anjana Talapatra, Thien Duong, Raymundo Arroyave
    Abstract:

    Solid solution MAX phases offer the opportunity for further tuning of the thermomechanical and functional properties of MAX phases, increasing their envelope of performance. Previous experimental results show that the lattice parameters of ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ decrease, while the Young's modulus increases with increased Si content in the lattice. In this work, we present a computational investigation of the structural, electronic, and mechanical properties of ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ $(x=0$, 0.25, 0.5, 0.75, and 1). The solid solutions were modeled using special quasirandom structures (SQS) and calculated using density functional theory (DFT), which is implemented in the Vienna ab initio simulation package (VASP). The SQS structures represent random mixing of Al and Si in the A sublattice of 312 MAX phase and their structural, electronic, and mechanical properties were calculated and compared with experiments. We study the Cleavage and slip behavior of ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ to investigate the deformation behavior in terms of Cleavage and shear. It has been shown that the Cleavage between M and A layers results in increasing Cleavage Stress in ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ as a function of Si content in the lattice. In addition, the shear deformation of hexagonal close packed ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ under $\ensuremath{\langle}2\overline{1}\overline{1}0\ensuremath{\rangle}\left\{0001\right\}$ and $\ensuremath{\langle}0\overline{1}10\ensuremath{\rangle}\left\{0001\right\}$ results in increasing unstable stacking fault energy (USFE) and ideal shear strength (ISS) in ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ as the system becomes richer in Si.

Haihui Gao - One of the best experts on this subject based on the ideXlab platform.

  • Effect of A mixing on elastic modulus, Cleavage Stress, and shear Stress in the Ti 3 ( Si x Al 1 − x ) C 2 MAX phase
    Physical Review B, 2017
    Co-Authors: Woongrak Son, Miladin Radovic, Haihui Gao, Anjana Talapatra, Thien Duong, Raymundo Arroyave
    Abstract:

    Solid solution MAX phases offer the opportunity for further tuning of the thermomechanical and functional properties of MAX phases, increasing their envelope of performance. Previous experimental results show that the lattice parameters of ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ decrease, while the Young's modulus increases with increased Si content in the lattice. In this work, we present a computational investigation of the structural, electronic, and mechanical properties of ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ $(x=0$, 0.25, 0.5, 0.75, and 1). The solid solutions were modeled using special quasirandom structures (SQS) and calculated using density functional theory (DFT), which is implemented in the Vienna ab initio simulation package (VASP). The SQS structures represent random mixing of Al and Si in the A sublattice of 312 MAX phase and their structural, electronic, and mechanical properties were calculated and compared with experiments. We study the Cleavage and slip behavior of ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ to investigate the deformation behavior in terms of Cleavage and shear. It has been shown that the Cleavage between M and A layers results in increasing Cleavage Stress in ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ as a function of Si content in the lattice. In addition, the shear deformation of hexagonal close packed ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ under $\ensuremath{\langle}2\overline{1}\overline{1}0\ensuremath{\rangle}\left\{0001\right\}$ and $\ensuremath{\langle}0\overline{1}10\ensuremath{\rangle}\left\{0001\right\}$ results in increasing unstable stacking fault energy (USFE) and ideal shear strength (ISS) in ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ as the system becomes richer in Si.

  • effect of a mixing on elastic modulus Cleavage Stress and shear Stress in the ti 3 si x al 1 x c 2 max phase
    Physical Review B, 2017
    Co-Authors: Woongrak Son, Miladin Radovic, Haihui Gao, Anjana Talapatra, Thien Duong, Raymundo Arroyave
    Abstract:

    Solid solution MAX phases offer the opportunity for further tuning of the thermomechanical and functional properties of MAX phases, increasing their envelope of performance. Previous experimental results show that the lattice parameters of ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ decrease, while the Young's modulus increases with increased Si content in the lattice. In this work, we present a computational investigation of the structural, electronic, and mechanical properties of ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ $(x=0$, 0.25, 0.5, 0.75, and 1). The solid solutions were modeled using special quasirandom structures (SQS) and calculated using density functional theory (DFT), which is implemented in the Vienna ab initio simulation package (VASP). The SQS structures represent random mixing of Al and Si in the A sublattice of 312 MAX phase and their structural, electronic, and mechanical properties were calculated and compared with experiments. We study the Cleavage and slip behavior of ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ to investigate the deformation behavior in terms of Cleavage and shear. It has been shown that the Cleavage between M and A layers results in increasing Cleavage Stress in ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ as a function of Si content in the lattice. In addition, the shear deformation of hexagonal close packed ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ under $\ensuremath{\langle}2\overline{1}\overline{1}0\ensuremath{\rangle}\left\{0001\right\}$ and $\ensuremath{\langle}0\overline{1}10\ensuremath{\rangle}\left\{0001\right\}$ results in increasing unstable stacking fault energy (USFE) and ideal shear strength (ISS) in ${\mathrm{Ti}}_{3}({\mathrm{Si}}_{x}{\mathrm{Al}}_{1\ensuremath{-}x}){\mathrm{C}}_{2}$ as the system becomes richer in Si.