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Philosophical Magazine A Volume 77, 1998 - Issue 4
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Original Articles

Atomistic simulation of titanium. II. Structure of ⅓ 〈1210〉 screw dislocations and slip systems in titanium

A. Girshick Department of Materials Science and Engineering, University of Pennsylvania, Philadelphia, Pennsylvania, 19104-6272, USA
,
D. G. Pettifor Department of Materials, University of Oxford, Parks Road, Oxford, OX1 3PH, England
&
V. Vitek Department of Materials Science and Engineering, University of Pennsylvania, Philadelphia, Pennsylvania, 19104-6272, USA
Pages 999-1012 | Received 22 Apr 1997, Accepted 31 Jul 1997, Published online: 12 Aug 2009

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Yang Dan & Dallas R. Trinkle. (2022) First-principles core energies of isolated basal and prism screw dislocations in magnesium. Materials Research Letters 10:6, pages 360-368.
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Josh Kacher & Ian M. Robertson. (2016) In situ TEM characterisation of dislocation interactions in α-titanium. Philosophical Magazine 96:14, pages 1437-1447.
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C.S. Becquart & C. Domain. (2009) Molecular dynamics simulations of damage and plasticity: The role of ab initio calculations in the development of interatomic potentials. Philosophical Magazine 89:34-36, pages 3215-3234.
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T. Neeraj , M.F. Savage, J. Tatalovich, L. Kovarik, R.W. Hayes & M.J. Mills. (2005) Observation of tension–compression asymmetry in α and titanium alloys. Philosophical Magazine 85:2-3, pages 279-295.
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L. Xiao & Y Umakoshi. (2002) Cyclic deformation behaviour and dislocation structure of Ti-5 at.% Al single crystals oriented for double prism slip. Philosophical Magazine A 82:12, pages 2379-2396.
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T. Neeraj & M.J. Mills. (2002) Observation and analysis of weak-fringing faults in Ti-6 wt% Al. Philosophical Magazine A 82:4, pages 779-802.
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T. Ochs, C. Elsässer, M. Mrovec, V. Vitek, J. Belak & J.A. Moriarty. (2000) Symmetrical tilt grain boundaries in bcc transition metals: Comparison of semiempirical with ab-initio total-energy calculations. Philosophical Magazine A 80:10, pages 2405-2423.
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A. Girshick, A.M. Bratkovsky, D.G. Pettifor & V. Vitek. (1998) Atomistic simulation of titanium. I. A bond-order potential. Philosophical Magazine A 77:4, pages 981-997.
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Yunping Jia, Shuanglin Hu, Xiaosong Zhou & Liqun Shi. (2023) Structure and mobility of <a>-type screw dislocation in presence of H in α-Ti from first-principles. Acta Materialia 250, pages 118842.
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Alberto Ferrari, Malte Schröder, Yury Lysogorskiy, Jutta Rogal, Matous Mrovec & Ralf Drautz. (2019) Phase transitions in titanium with an analytic bond-order potential. Modelling and Simulation in Materials Science and Engineering 27:8, pages 085008.
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S.H. Zhang, D. Legut & R.F. Zhang. (2019) PNADIS: An automated Peierls–Nabarro analyzer for dislocation core structure and slip resistance. Computer Physics Communications 240, pages 60-73.
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Adrian P. Sutton, Ralf Drautz & Vaclav Vitek. (2019) David Godfrey Pettifor. 9 March 1945—16 October 2017. Biographical Memoirs of Fellows of the Royal Society 66, pages 329-353.
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Dongsheng S Xu, Hao Wang, Jinhu H Zhang, Chunguang G Bai & Rui Yang. 2019. Handbook of Materials Modeling. Handbook of Materials Modeling 1 39 .
Sunil Rawat & Nilanjan Mitra. (2018) Molecular dynamics investigation of c-axis deformation of single crystal Ti under uniaxial stress conditions: Evolution of compression twinning and dislocations. Computational Materials Science 141, pages 19-29.
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T. B. Britton, F. P. E. Dunne & A. J. Wilkinson. (2015) On the mechanistic basis of deformation at the microscale in hexagonal close-packed metals. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 471:2178, pages 20140881.
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Nathalie Tarrat, Magali Benoit, Daniel Caillard, Lisa Ventelon, Nicolas Combe & Joseph Morillo. (2014) Screw dislocation in hcp Ti : DFT dislocation excess energies and metastable core structures. Modelling and Simulation in Materials Science and Engineering 22:5, pages 055016.
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M Čák, T Hammerschmidt, J Rogal, V Vitek & R Drautz. (2014) Analytic bond-order potentials for the bcc refractory metals Nb, Ta, Mo and W. Journal of Physics: Condensed Matter 26:19, pages 195501.
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Thomas Hammerschmidt, Ralf Drautz & David G. Pettifor. (2009) Atomistic modelling of materials with bond-order potentials. International Journal of Materials Research 100:11, pages 1479-1487.
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J.H. Moon, S. Karthikeyan, B.M. Morrow, S.P. Fox & M.J. Mills. (2009) High-temperature creep behavior and microstructure analysis of binary Ti–6Al alloys with trace amounts of Ni. Materials Science and Engineering: A 510-511, pages 35-41.
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T. Hammerschmidt, A. Kersch & P. Vogl. (2005) Embedded atom simulations of titanium systems with grain boundaries. Physical Review B 71:20.
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Y. T. Zhu, J. Y. Huang, J. Gubicza, T. Ungár, Y. M. Wang, E. Ma & R. Z. Valiev. (2011) Nanostructures in Ti processed by severe plastic deformation. Journal of Materials Research 18:8, pages 1908-1917.
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Lin Xiao & Yukichi Umakoshi. (2003) Orientation dependence of cyclic deformation behavior and dislocation structure in Ti–5at.% Al single crystals. Materials Science and Engineering: A 339:1-2, pages 63-72.
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R. Meyer & L. J. Lewis. (2002) Stacking-fault energies for Ag, Cu, and Ni from empirical tight-binding potentials. Physical Review B 66:5.
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M. H. Yoo, J. R. Morris, K. M. Ho & S. R. Agnew. (2002) Nonbasal deformation modes of HCP metals and alloys: Role of dislocation source and mobility. Metallurgical and Materials Transactions A 33:3, pages 813-822.
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M.H Yoo, S.R Agnew, J.R Morris & K.M Ho. (2001) Non-basal slip systems in HCP metals and alloys: source mechanisms. Materials Science and Engineering: A 319-321, pages 87-92.
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A Béré, J Chen, A Hairie, G Nouet & E Paumier. (2000) Determination of the high c/a ratio of hexagonal metals with a semi-empirical tight-binding method. Computational Materials Science 17:2-4, pages 249-254.
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Yunping Jia, Shuanglin Hu, Xiaosong Zhou & Liqun Shi. (2022) Structure and Mobility of < <i>a</i>>. SSRN Electronic Journal.
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