The Experts below are selected from a list of 61434 Experts worldwide ranked by ideXlab platform

Alexander Chroneos - One of the best experts on this subject based on the ideXlab platform.

  • Defect processes of m3alc2 m v zr ta ti max phases
    Solid State Communications, 2017
    Co-Authors: Stavros-richard G. Christopoulos, Nikolaos Kelaidis, Alexander Chroneos
    Abstract:

    Abstract The interest on the M n+1 AX n phases (M = early transition metal; A = group 13–16 element and X = C and/or N) stems from their combination of advantageous metallic and ceramic properties. Aluminium containing 312 MAX phases in particular are deemed to enhance high-temperature oxidation resistance. In the present study, we use density functional theory calculations to study the intrinsic Defect processes of M 3 AlC 2 MAX phases (M = V, Zr, Ta, Ti). The calculations reveal that Ti 3 AlC 2 is the more radiation tolerant 312 MAX phase considered here. In Ti 3 AlC 2 the carbon Frenkel reaction is the lowest Energy Defect process with 3.17 eV. Results are discussed in view of recent experimental and theoretical results of related systems.

  • experimental synthesis and density functional theory investigation of radiation tolerance of zr3 al1 xsix c2 max phases
    Journal of the American Ceramic Society, 2017
    Co-Authors: Eugenio Zapatasolvas, Denis Horlait, David C. Parfitt, Stavros-richard G. Christopoulos, Alexander Chroneos, M E Fitzpatrick, Na Ni, W E Lee
    Abstract:

    Synthesis, characterization and density functional theory calculations have been combined to examine the formation of the Zr3(Al1–xSix)C2 quaternary MAX phases and the intrinsic Defect processes in Zr3AlC2 and Zr3SiC2. The MAX phase family is extended by demonstrating that Zr3(Al1–xSix)C2, and particularly compositions with x≈0.1, can be formed leading here to a yield of 59 wt%. It has been found that Zr3AlC2 - and by extension Zr3(Al1–xSix)C2 - formation rates benefit from the presence of traces of Si in the reactant mix, presumably through the in situ formation of ZrySiz phase(s) acting as a nucleation substrate for the MAX phase. To investigate the radiation tolerance of Zr3(Al1–xSix)C2, we have also considered the intrinsic Defect properties of the end-members. A-element Frenkel reaction for both Zr3AlC2 (1.71 eV) and Zr3SiC2 (1.41 eV) phases are the lowest Energy Defect reactions. For comparison we consider the Defect processes in Ti3AlC2 and Ti3SiC2 phases. It is concluded that Zr3AlC2 and Ti3AlC2 MAX phases are more radiation tolerant than Zr3SiC2 and Ti3SiC2, respectively. Their applicability as cladding materials for nuclear fuel is discussed.

  • Defect processes of M3AlC2 (M = V, Zr, Ta, Ti) MAX phases
    Solid State Communications, 2017
    Co-Authors: Stavros-richard G. Christopoulos, Nikolaos Kelaidis, Alexander Chroneos
    Abstract:

    The interest on the Mn+1AXn phases (M = early transition metal; A = group 13–16 element and X = C and/or N) stems from their combination of advantageous metallic and ceramic properties. Aluminium containing 312 MAX phases in particular are deemed to enhance high-temperature oxidation resistance. In the present study, we use density functional theory calculations to study the intrinsic Defect processes of M3AlC2 MAX phases (M = V, Zr, Ta, Ti). The calculations reveal that Ti3AlC2 is the more radiation tolerant 312 MAX phase considered here. In Ti3AlC2 the carbon Frenkel reaction is the lowest Energy Defect process with 3.17 eV. Results are discussed in view of recent experimental and theoretical results of related systems.

Stavros-richard G. Christopoulos - One of the best experts on this subject based on the ideXlab platform.

  • Defect processes of m3alc2 m v zr ta ti max phases
    Solid State Communications, 2017
    Co-Authors: Stavros-richard G. Christopoulos, Nikolaos Kelaidis, Alexander Chroneos
    Abstract:

    Abstract The interest on the M n+1 AX n phases (M = early transition metal; A = group 13–16 element and X = C and/or N) stems from their combination of advantageous metallic and ceramic properties. Aluminium containing 312 MAX phases in particular are deemed to enhance high-temperature oxidation resistance. In the present study, we use density functional theory calculations to study the intrinsic Defect processes of M 3 AlC 2 MAX phases (M = V, Zr, Ta, Ti). The calculations reveal that Ti 3 AlC 2 is the more radiation tolerant 312 MAX phase considered here. In Ti 3 AlC 2 the carbon Frenkel reaction is the lowest Energy Defect process with 3.17 eV. Results are discussed in view of recent experimental and theoretical results of related systems.

  • experimental synthesis and density functional theory investigation of radiation tolerance of zr3 al1 xsix c2 max phases
    Journal of the American Ceramic Society, 2017
    Co-Authors: Eugenio Zapatasolvas, Denis Horlait, David C. Parfitt, Stavros-richard G. Christopoulos, Alexander Chroneos, M E Fitzpatrick, Na Ni, W E Lee
    Abstract:

    Synthesis, characterization and density functional theory calculations have been combined to examine the formation of the Zr3(Al1–xSix)C2 quaternary MAX phases and the intrinsic Defect processes in Zr3AlC2 and Zr3SiC2. The MAX phase family is extended by demonstrating that Zr3(Al1–xSix)C2, and particularly compositions with x≈0.1, can be formed leading here to a yield of 59 wt%. It has been found that Zr3AlC2 - and by extension Zr3(Al1–xSix)C2 - formation rates benefit from the presence of traces of Si in the reactant mix, presumably through the in situ formation of ZrySiz phase(s) acting as a nucleation substrate for the MAX phase. To investigate the radiation tolerance of Zr3(Al1–xSix)C2, we have also considered the intrinsic Defect properties of the end-members. A-element Frenkel reaction for both Zr3AlC2 (1.71 eV) and Zr3SiC2 (1.41 eV) phases are the lowest Energy Defect reactions. For comparison we consider the Defect processes in Ti3AlC2 and Ti3SiC2 phases. It is concluded that Zr3AlC2 and Ti3AlC2 MAX phases are more radiation tolerant than Zr3SiC2 and Ti3SiC2, respectively. Their applicability as cladding materials for nuclear fuel is discussed.

  • Defect processes of M3AlC2 (M = V, Zr, Ta, Ti) MAX phases
    Solid State Communications, 2017
    Co-Authors: Stavros-richard G. Christopoulos, Nikolaos Kelaidis, Alexander Chroneos
    Abstract:

    The interest on the Mn+1AXn phases (M = early transition metal; A = group 13–16 element and X = C and/or N) stems from their combination of advantageous metallic and ceramic properties. Aluminium containing 312 MAX phases in particular are deemed to enhance high-temperature oxidation resistance. In the present study, we use density functional theory calculations to study the intrinsic Defect processes of M3AlC2 MAX phases (M = V, Zr, Ta, Ti). The calculations reveal that Ti3AlC2 is the more radiation tolerant 312 MAX phase considered here. In Ti3AlC2 the carbon Frenkel reaction is the lowest Energy Defect process with 3.17 eV. Results are discussed in view of recent experimental and theoretical results of related systems.

Nikolaos Kelaidis - One of the best experts on this subject based on the ideXlab platform.

  • Defect processes of m3alc2 m v zr ta ti max phases
    Solid State Communications, 2017
    Co-Authors: Stavros-richard G. Christopoulos, Nikolaos Kelaidis, Alexander Chroneos
    Abstract:

    Abstract The interest on the M n+1 AX n phases (M = early transition metal; A = group 13–16 element and X = C and/or N) stems from their combination of advantageous metallic and ceramic properties. Aluminium containing 312 MAX phases in particular are deemed to enhance high-temperature oxidation resistance. In the present study, we use density functional theory calculations to study the intrinsic Defect processes of M 3 AlC 2 MAX phases (M = V, Zr, Ta, Ti). The calculations reveal that Ti 3 AlC 2 is the more radiation tolerant 312 MAX phase considered here. In Ti 3 AlC 2 the carbon Frenkel reaction is the lowest Energy Defect process with 3.17 eV. Results are discussed in view of recent experimental and theoretical results of related systems.

  • Defect processes of M3AlC2 (M = V, Zr, Ta, Ti) MAX phases
    Solid State Communications, 2017
    Co-Authors: Stavros-richard G. Christopoulos, Nikolaos Kelaidis, Alexander Chroneos
    Abstract:

    The interest on the Mn+1AXn phases (M = early transition metal; A = group 13–16 element and X = C and/or N) stems from their combination of advantageous metallic and ceramic properties. Aluminium containing 312 MAX phases in particular are deemed to enhance high-temperature oxidation resistance. In the present study, we use density functional theory calculations to study the intrinsic Defect processes of M3AlC2 MAX phases (M = V, Zr, Ta, Ti). The calculations reveal that Ti3AlC2 is the more radiation tolerant 312 MAX phase considered here. In Ti3AlC2 the carbon Frenkel reaction is the lowest Energy Defect process with 3.17 eV. Results are discussed in view of recent experimental and theoretical results of related systems.

W E Lee - One of the best experts on this subject based on the ideXlab platform.

  • experimental synthesis and density functional theory investigation of radiation tolerance of zr3 al1 xsix c2 max phases
    Journal of the American Ceramic Society, 2017
    Co-Authors: Eugenio Zapatasolvas, Denis Horlait, David C. Parfitt, Stavros-richard G. Christopoulos, Alexander Chroneos, M E Fitzpatrick, Na Ni, W E Lee
    Abstract:

    Synthesis, characterization and density functional theory calculations have been combined to examine the formation of the Zr3(Al1–xSix)C2 quaternary MAX phases and the intrinsic Defect processes in Zr3AlC2 and Zr3SiC2. The MAX phase family is extended by demonstrating that Zr3(Al1–xSix)C2, and particularly compositions with x≈0.1, can be formed leading here to a yield of 59 wt%. It has been found that Zr3AlC2 - and by extension Zr3(Al1–xSix)C2 - formation rates benefit from the presence of traces of Si in the reactant mix, presumably through the in situ formation of ZrySiz phase(s) acting as a nucleation substrate for the MAX phase. To investigate the radiation tolerance of Zr3(Al1–xSix)C2, we have also considered the intrinsic Defect properties of the end-members. A-element Frenkel reaction for both Zr3AlC2 (1.71 eV) and Zr3SiC2 (1.41 eV) phases are the lowest Energy Defect reactions. For comparison we consider the Defect processes in Ti3AlC2 and Ti3SiC2 phases. It is concluded that Zr3AlC2 and Ti3AlC2 MAX phases are more radiation tolerant than Zr3SiC2 and Ti3SiC2, respectively. Their applicability as cladding materials for nuclear fuel is discussed.

Denis Horlait - One of the best experts on this subject based on the ideXlab platform.

  • experimental synthesis and density functional theory investigation of radiation tolerance of zr3 al1 xsix c2 max phases
    Journal of the American Ceramic Society, 2017
    Co-Authors: Eugenio Zapatasolvas, Denis Horlait, David C. Parfitt, Stavros-richard G. Christopoulos, Alexander Chroneos, M E Fitzpatrick, Na Ni, W E Lee
    Abstract:

    Synthesis, characterization and density functional theory calculations have been combined to examine the formation of the Zr3(Al1–xSix)C2 quaternary MAX phases and the intrinsic Defect processes in Zr3AlC2 and Zr3SiC2. The MAX phase family is extended by demonstrating that Zr3(Al1–xSix)C2, and particularly compositions with x≈0.1, can be formed leading here to a yield of 59 wt%. It has been found that Zr3AlC2 - and by extension Zr3(Al1–xSix)C2 - formation rates benefit from the presence of traces of Si in the reactant mix, presumably through the in situ formation of ZrySiz phase(s) acting as a nucleation substrate for the MAX phase. To investigate the radiation tolerance of Zr3(Al1–xSix)C2, we have also considered the intrinsic Defect properties of the end-members. A-element Frenkel reaction for both Zr3AlC2 (1.71 eV) and Zr3SiC2 (1.41 eV) phases are the lowest Energy Defect reactions. For comparison we consider the Defect processes in Ti3AlC2 and Ti3SiC2 phases. It is concluded that Zr3AlC2 and Ti3AlC2 MAX phases are more radiation tolerant than Zr3SiC2 and Ti3SiC2, respectively. Their applicability as cladding materials for nuclear fuel is discussed.