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Philosophical Magazine B Volume 78, 1998 - Issue 5-6
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Original Articles

The role of higher-symmetry phases in anisotropy of theoretical tensile strength of metals and intermetallics

M. Šob Institute of Physics of Materials, Academy of Sciences of the Czech Republic, Žižkova 22, CZ-61662, Brno, Czech Republic
,
L. G. Wan Department of Materials Science and Engineering, University of Pennsylvania, 3231 Walnut Street, Philadelphia, PA, 19104-6272, USA; On leave of absence from the Central Iron and Steel Research Institute, Beijing, China
&
V. Vitek Department of Materials Science and Engineering, University of Pennsylvania, 3231 Walnut Street, Philadelphia, PA, 19104-6272, USA
Pages 653-658 | Published online: 20 Aug 2009

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Sergiy Kotrechko, Oleksandr Ovsjannikov, Tatjana Mazilova, Igor Mikhailovskij, Evgenij Sadanov & Nataliya Stetsenko. (2017) Inherent hydrostatic tensile strength of tungsten nanocrystals. Philosophical Magazine 97:12, pages 930-943.
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T.I. Mazilova, V.A. Ksenofontov, V.N. Voyevodin, E.V. Sadanov & I.M. Mikhailovskij. (2011) Mechanical recrystallization of ultra-strength tungsten nanoneedles. Philosophical Magazine Letters 91:4, pages 304-312.
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Anatoly P Shpak, Sergiy O Kotrechko, Tatjana I Mazilova & Igor M Mikhailovskij. (2009) Inherent tensile strength of molybdenum nanocrystals. Science and Technology of Advanced Materials 10:4.
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Articles from other publishers (44)

Zhiqin Wen, Yuhong Zhao, Jianhua Li & Hua Hou. (2019) Phase Stability and Thermo-Physical Properties of Nickel-Aluminum Binary Chemically Disordered Systems via First-Principles Study. Metals and Materials International 27:6, pages 1469-1477.
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Neda Abdoshahi, Petra Spoerk-Erdely, Martin Friák, Svea Mayer, Mojmír Šob & David Holec. (2020) Ab initio study of chemical disorder as an effective stabilizing mechanism of bcc-based . Physical Review Materials 4:10.
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R.F. Zhang, S.H. Zhang, Y.Q. Guo, Z.H. Fu, D. Legut, T.C. Germann & S. Veprek. (2019) First-principles design of strong solids: Approaches and applications. Physics Reports 826, pages 1-49.
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Jia-Hua Wang, Yong Lu, Xiao-Lin Zhang & Xiao-hong Shao. (2018) The elastic behaviors and theoretical tensile strength of -TiAl alloy from the first principles calculations . Intermetallics 101, pages 1-7.
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Sergiy Kotrechko, Olexandr Ovsijannikov, Igor Mikhailovskij & Nataliya Stetsenko. 2018. Molecular Dynamics. Molecular Dynamics.
Minru Wen & Chong-Yu Wang. (2018) Transition-metal alloying of : Effects on the ideal uniaxial compressive strength from first-principles calculations . Physical Review B 97:2.
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Li-Jiang Gui & Yue-Lin Liu. (2016) First-principles studying the properties of oxygen in vanadium: Thermodynamics and tensile/shear behavior. Computational Condensed Matter 7, pages 7-13.
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You Sung Han & Vikas Tomar. (2013) An ab initio study of the peak tensile strength of tungsten with an account of helium point defects. International Journal of Plasticity 48, pages 54-71.
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Li-Jiang Gui, Yue-Lin Liu, Wei-Tian Wang, Ye Wei, Ying Zhang, Guang-Hong Lu & Jun-En Yao. (2013) Behaviors of alloying element titanium in vanadium: From energetics to tensile/shear deformation. Computational Materials Science 77, pages 348-354.
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Xiaoqing Li, Stephan Schönecker, Jijun Zhao, Börje Johansson & Levente Vitos. (2013) Ideal strength of random alloys from first principles. Physical Review B 87:21.
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GuangHong Lu & Lei Zhang. (2012) Connecting microscopic structure and macroscopic mechanical properties of structural materials from first-principles. Science China Physics, Mechanics and Astronomy 55:12, pages 2305-2315.
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Yue-Lin Liu, Li-Jiang Gui & Shuo Jin. (2012) Ab initio investigation of the mechanical properties of copper . Chinese Physics B 21:9, pages 096102.
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Göran Grimvall, Blanka Magyari-Köpe, Vidvuds Ozoliņš & Kristin A. Persson. (2012) Lattice instabilities in metallic elements. Reviews of Modern Physics 84:2, pages 945-986.
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Jie Wang, Jian-Ying Qi & Xian Zhou. (2012) Ideal strength and deformation-induced phase transformation of hcp metals Re, Ru, and Os: A first-principles study. Materials Science and Engineering: A 534, pages 353-364.
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Naoyuki Nagasako, Ryoji Asahi & Jürgen Hafner. (2012) Ideal tensile and shear strength of a gum metal approximant: Ab initio density functional calculations . Physical Review B 85:2.
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S. Banerjee, J.K. Chakravartty, J.B. Singh & R. Kapoor. 2012. Functional Materials. Functional Materials 467 505 .
Hongzhi Fu, XiaoFeng Li, WenFang Liu, Yanming Ma, Tao Gao & Xinhua Hong. (2011) Electronic and dynamical properties of NiAl studied from first principles. Intermetallics 19:12, pages 1959-1967.
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M. Friák, T. Hickel, F. Körmann, A. Udyansky, A. Dick, J. von Pezold, D. Ma, O. Kim, W.A. Counts, M. Šob, T. Gebhardt, D. Music, J. Schneider, D. Raabe & J. Neugebauer. (2011) Determining the Elasticity of Materials Employing Quantum-mechanical Approaches: From the Electronic Ground State to the Limits of Materials Stability. steel research international 82:2, pages 86-100.
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Yue-Lin Liu, Hong-Bo Zhou, Shuo Jin, Ying Zhang & Guang-Hong Lu. (2010) Effects of H on Electronic Structure and Ideal Tensile Strength of W: A First-Principles Calculation. Chinese Physics Letters 27:12, pages 127101.
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Naoyuki Nagasako, Michal Jahnátek, Ryoji Asahi & Jürgen Hafner. (2010) Anomalies in the response of V, Nb, and Ta to tensile and shear loading: Ab initio density functional theory calculations . Physical Review B 81:9.
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Liu Yue-Lin, Zhang Ying, Hong Rong-Jie & Lu Guang-Hong. (2009) Study of the theoretical tensile strength of Fe by a first-principles computational tensile test. Chinese Physics B 18:5, pages 1923-1930.
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Hong-Bo Zhou, Ying Zhang, Yue-Lin Liu, Masanori Kohyama, Peng-Gang Yin & Guang-Hong Lu. (2009) First-principles characterization of the anisotropy of theoretical strength and the stress–strain relation for a TiAl intermetallic compound. Journal of Physics: Condensed Matter 21:17, pages 175407.
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Hongzhi Fu, Dehua Li, Feng Peng, Tao Gao & Xinlu Cheng. (2008) Ab initio calculations of elastic constants and thermodynamic properties of NiAl under high pressures. Computational Materials Science 44:2, pages 774-778.
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Jian-Min Zhang, Yan Yang, Ke-Wei Xu & Vincent Ji. (2008) Theoretical strength and structural response of Cu crystal. Computational Materials Science 43:4, pages 917-923.
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Vu Van Hung, K. Masuda-Jindo & Nguyen Thi Hoa. (2011) Study of ideal strengths of metals and alloys by statistical moment method: Temperature dependence. Journal of Materials Research 22:8, pages 2230-2240.
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Y.L. Liu, L.M. Liu, S.Q. Wang & H.Q. Ye. (2007) First-principles study of shear deformation in TiAl and Ti3Al. Intermetallics 15:3, pages 428-435.
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M. Šob. 2007. Multiscale Materials Modelling. Multiscale Materials Modelling 1 24 .
Luming Shen & Zhen Chen. (2005) A multi-scale simulation of tungsten film delamination from silicon substrate. International Journal of Solids and Structures 42:18-19, pages 5036-5056.
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Mojmír Šob, Jaroslav Pokluda, Miroslav Černý, Pavel Šandera & V. Vitek. (2005) Theoretical Strength of Metals and Intermetallics from First Principles. Materials Science Forum 482, pages 33-38.
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Yoshitaka Umeno & Takayuki Kitamura. (2005) Criterion of Mechanical Instability in Inhomogeneous Atomic System. Materials Science Forum 482, pages 127-130.
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Mojmír Šob, Martin Friák, Dominik Legut & Václav Vitek. 2005. Complex Inorganic Solids. Complex Inorganic Solids 307 325 .
M. Černý, J. Pokluda & P. Šandera. (2004) Ab initio analysis of theoretical isotropic strength and elasticity of nickel aluminide compounds. Materials Science and Engineering: A 387-389, pages 923-925.
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M. Šob, M. Friák, D. Legut, J. Fiala & V. Vitek. (2004) The role of ab initio electronic structure calculations in studies of the strength of materials. Materials Science and Engineering: A 387-389, pages 148-157.
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James R. Morris, Yiying Ye, Yong-Bin Lee, Bruce N. Harmon, Karl A. GschneidnerJr.Jr. & Alan M. Russell. (2004) Ab initio calculation of bulk and defect properties of ductile rare-earth intermetallic compounds. Acta Materialia 52:16, pages 4849-4857.
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Tianshu Li, J. W. Morris & D. C. Chrzan. (2004) Ideal tensile strength of transition-metal aluminides . Physical Review B 70:5.
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Takayuki Kitamura, Yoshitaka Umeno & Ryoji Fushino. (2004) Instability criterion of inhomogeneous atomic system. Materials Science and Engineering: A 379:1-2, pages 229-233.
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Guang-Hong Lu, Shenghua Deng, Tianmin Wang, Masanori Kohyama & Ryoichi Yamamoto. (2004) Theoretical tensile strength of an Al grain boundary. Physical Review B 69:13.
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Takayuki Kitamura, Yoshitaka Umeno & Nagatomo Tsuji. (2004) Analytical evaluation of unstable deformation criterion of atomic structure and its application to nanostructure. Computational Materials Science 29:4, pages 499-510.
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Kisaragi Yashiro, Masashi Oho & Yoshihiro Tomita. (2004) Ab initio study on the lattice instability of silicon and aluminum under [001] tension. Computational Materials Science 29:4, pages 397-406.
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M. Friák, M. Šob & V. Vitek. (2003) Ab initio study of the ideal tensile strength and mechanical stability of transition-metal disilicides . Physical Review B 68:18.
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Weidong Luo, D. Roundy, Marvin L. Cohen & J. W. Morris. (2002) Ideal strength of bcc molybdenum and niobium. Physical Review B 66:9.
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Y. Mishin, M. J. Mehl & D. A. Papaconstantopoulos. (2002) Embedded-atom potential for . Physical Review B 65:22.
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C.R Krenn, D Roundy, J.W MorrisJrJr & Marvin L Cohen. (2001) Ideal strengths of bcc metals. Materials Science and Engineering: A 319-321, pages 111-114.
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M. Friák, M. Šob & V. Vitek. (2011) Ab initio simulation of a tensile test in MoSi 2 and WSi 2 . MRS Proceedings 646.
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