Results 241 to 250 of about 108,330 (269)
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Physical Review B, 2007
Influence of biaxial stresses applied perpendicularly to the [100] loading axis on the theoretical tensile strength is studied from first principles. Ten crystals of cubic metals and three crystals of diamond ceramics were selected as particular case studies.
Miroslav Černý, Jaroslav Pokluda
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Influence of biaxial stresses applied perpendicularly to the [100] loading axis on the theoretical tensile strength is studied from first principles. Ten crystals of cubic metals and three crystals of diamond ceramics were selected as particular case studies.
Miroslav Černý, Jaroslav Pokluda
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Materials Science and Engineering: A, 1997
Abstract Fully self-consistent ab initio electronic structure calculation of theoretical tensile strength is performed for the first time using full-potential LAPW method. As a specific example, tensile strength of single-crystalline tungsten loaded uniaxially along the (001) and (111) directions is analyzed.
M. Šob, L.G. Wang, V. Vitek
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Abstract Fully self-consistent ab initio electronic structure calculation of theoretical tensile strength is performed for the first time using full-potential LAPW method. As a specific example, tensile strength of single-crystalline tungsten loaded uniaxially along the (001) and (111) directions is analyzed.
M. Šob, L.G. Wang, V. Vitek
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Physical Review B, 2010
Elastic response and strength of perfect crystals is calculated for triaxial loading conditions from first principles. The triaxial stress state is constituted by uniaxial tensile stress and superimposed transverse biaxial stresses. The maximum uniaxial tensile stress is evaluated as a function of the transverse stresses.
Miroslav Černý, Jaroslav Pokluda
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Elastic response and strength of perfect crystals is calculated for triaxial loading conditions from first principles. The triaxial stress state is constituted by uniaxial tensile stress and superimposed transverse biaxial stresses. The maximum uniaxial tensile stress is evaluated as a function of the transverse stresses.
Miroslav Černý, Jaroslav Pokluda
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Physica E: Low-dimensional Systems and Nanostructures, 2012
Abstract Multilayered TiN/CrN coatings find a wide range of technological applications where their internal hetero-interfaces and corresponding residual stress have been long suspected as capable of influencing their intriguing mechanical and chemical performances such as the thermal stability, hardness, and corrosion, tribological and wear ...
Deqiang, Yin +3 more
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Abstract Multilayered TiN/CrN coatings find a wide range of technological applications where their internal hetero-interfaces and corresponding residual stress have been long suspected as capable of influencing their intriguing mechanical and chemical performances such as the thermal stability, hardness, and corrosion, tribological and wear ...
Deqiang, Yin +3 more
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IEEE Transactions on Electron Devices, 2016
Density functional theory and nonequilibrium Green’s function-based first principle calculations have been performed for an in-depth analysis of infinitely long boron–groupV (N, P, As, and Sb) linear atomic chains (LACs) under tensile stress. The analysis revealed the presence of dative bond among the atoms of LAC, and loses stability of the structures
Boddepalli SanthiBhushan +4 more
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Density functional theory and nonequilibrium Green’s function-based first principle calculations have been performed for an in-depth analysis of infinitely long boron–groupV (N, P, As, and Sb) linear atomic chains (LACs) under tensile stress. The analysis revealed the presence of dative bond among the atoms of LAC, and loses stability of the structures
Boddepalli SanthiBhushan +4 more
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First-Principles Study of Tetragonal BaTiO 3 Subjected to Uniaxial Tensile Stress along the c Axis
Chinese Physics Letters, 2009Tetragonal BaTiO3 under uniaxial tensile stress along the c axis is investigated from first principles. The structural parameters and polarization show a little abrupt change near a critical stress σc of 4.57 GPa, which is related to the uniaxial tensile stress induced change of elastic constants.
Wang Chun-Mei +2 more
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Journal of Physics: Condensed Matter, 2019
Abstract A first-principles computational tensile test (FPCTT) is a powerful tool to investigate intrinsic strength and failure processes of grain boundaries (GBs), according to atomic and electronic behaviors based on density-functional theory, while careful interpretation is required in comparison with ...
Hao Wang +4 more
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Abstract A first-principles computational tensile test (FPCTT) is a powerful tool to investigate intrinsic strength and failure processes of grain boundaries (GBs), according to atomic and electronic behaviors based on density-functional theory, while careful interpretation is required in comparison with ...
Hao Wang +4 more
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Materials Science & Engineering A: Structural Materials: Properties, Microstructure and Processing, 2022
Yunlai Deng, Xiaobin Guo
exaly
Yunlai Deng, Xiaobin Guo
exaly