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Propellants, Explosives, Pyrotechnics
ABSTRACTAzide polyether propellants are emerging high‐energy solid propellants and have broad application prospects. To determine their mechanical properties under wide temperature ranges, tensile tests were conducted considering different combinations of temperature and loading rate, and the corresponding tensile stress–strain curves were plotted. The
Gang Wang +4 more
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ABSTRACTAzide polyether propellants are emerging high‐energy solid propellants and have broad application prospects. To determine their mechanical properties under wide temperature ranges, tensile tests were conducted considering different combinations of temperature and loading rate, and the corresponding tensile stress–strain curves were plotted. The
Gang Wang +4 more
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First-principles molecular dynamics study of a polymer under tensile stress
The Journal of Chemical Physics, 2001We present first-principles simulations of cis-polyacetylene fragments under tensile stress. The barrier of a cis-trans isomerization of conjugated carbon–carbon double bonds is lowered by tensile stress. However, it does not seem likely that the barrier can be sufficiently reduced to achieve a cis-trans isomerization in an atomic force microscopy ...
Ute F. Röhrig, Irmgard Frank
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Journal of Alloys and Compounds, 2010
Abstract Tetragonal BaTiO 3 under equibiaxial in-plane tensile stresses is investigated from first principles calculations. Our results show that this material transfers to the paraelectric phase at the critical stress of about 13 GPa. We also find the great enhancement of piezoelectricity close to the phase-transition region, due to large atomic ...
Yifeng Duan +3 more
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Abstract Tetragonal BaTiO 3 under equibiaxial in-plane tensile stresses is investigated from first principles calculations. Our results show that this material transfers to the paraelectric phase at the critical stress of about 13 GPa. We also find the great enhancement of piezoelectricity close to the phase-transition region, due to large atomic ...
Yifeng Duan +3 more
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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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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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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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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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