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Original Articles

Periodic image effects in dislocation modelling

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Pages 539-567 | Published online: 14 Nov 2010

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Siamak Soleymani Shishvan & Babak Moghaddam. (2016) Displacement field of doubly periodic array of dislocation dipoles in elastically anisotropic media. Philosophical Magazine 96:3, pages 230-252.
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L Pizzagalli, P Beauchamp & H. Jónsson. (2008) Calculations of dislocation mobility using Nudged Elastic Band method and first principles DFT calculations. Philosophical Magazine 88:1, pages 91-100.
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J. Chang, C. T. Bodur & A. S. Argon. (2003) Pyramidal edge dislocation cores in sapphire . Philosophical Magazine Letters 83:11, pages 659-666.
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Gang Lu, Vasily V. Bulatov & Nicholas Kioussis . (2003) A nonplanar Peierls–Nabarro model and its application to dislocation cross-slip . Philosophical Magazine 83:31-34, pages 3539-3548.
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Crossref
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Crossref
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Crossref
Sh Akhondzadeh, R B Sills, S Papanikolaou, E Van der Giessen & W Cai. (2018) Geometrically projected discrete dislocation dynamics. Modelling and Simulation in Materials Science and Engineering 26:6, pages 065011.
Crossref
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Crossref
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Crossref
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Crossref
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Crossref
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Crossref
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Crossref
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Crossref
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Crossref
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Crossref
E Oren, E Yahel & G Makov. (2017) Dislocation kinematics: a molecular dynamics study in Cu. Modelling and Simulation in Materials Science and Engineering 25:2, pages 025002.
Crossref
X. W. Zhou, R. B. Sills, D. K. Ward & R. A. Karnesky. (2017) Atomistic calculations of dislocation core energy in aluminium. Physical Review B 95:5.
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Crossref
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Crossref
C O T Galvin, M W D Cooper, P C M Fossati, C R Stanek, R W Grimes & D A Andersson. (2016) Pipe and grain boundary diffusion of He in UO 2 . Journal of Physics: Condensed Matter 28:40, pages 405002.
Crossref
I Belabbas, J Chen, M I Heggie, C D Latham, M J Rayson, P R Briddon & G Nouet. (2016) Core properties and mobility of the basal screw dislocation in wurtzite GaN: a density functional theory study. Modelling and Simulation in Materials Science and Engineering 24:7, pages 075001.
Crossref
Edgar Josué Landinez Borda, Wei Cai & Maurice de Koning. (2016) Dislocation Structure and Mobility in hcp . Physical Review Letters 117:4.
Crossref
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Crossref
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Crossref
Siu Sin Quek, Zheng Hoe Chooi, Zhaoxuan Wu, Yong Wei Zhang & David J. Srolovitz. (2016) The inverse hall–petch relation in nanocrystalline metals: A discrete dislocation dynamics analysis. Journal of the Mechanics and Physics of Solids 88, pages 252-266.
Crossref
A. Kraych, Ph. Carrez, P. Hirel, E. Clouet & P. Cordier. (2016) Peierls potential and kink-pair mechanism in high-pressure perovskite: An atomic scale study . Physical Review B 93:1.
Crossref
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Crossref
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Crossref
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Crossref
T. Tsuru & D. C. Chrzan. (2015) Effect of solute atoms on dislocation motion in Mg: An electronic structure perspective. Scientific Reports 5:1.
Crossref
B A Szajewski & W A Curtin. (2015) Analysis of spurious image forces in atomistic simulations of dislocations. Modelling and Simulation in Materials Science and Engineering 23:2, pages 025008.
Crossref
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Crossref
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Crossref
P. A. Gourgiotis & S. Stupkiewicz. (2014) Macroscopic stress and strain in a doubly periodic array of dislocation dipoles. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 470:2171, pages 20140309.
Crossref
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Crossref
S.K. Yadav, R. Ramprasad, A. Misra & X.-Y. Liu. (2014) Core structure and Peierls stress of edge and screw dislocations in TiN: A density functional theory study. Acta Materialia 74, pages 268-277.
Crossref
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Crossref
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Jun PAN & Yoji SHIBUTANI. (2012) Internal Stress Field of Double Cross-slip using Level Set Dislocation Dynamics. Journal of Solid Mechanics and Materials Engineering 6:1, pages 61-70.
Crossref
I. Belabbas, J. Chen & G. Nouet. (2012) A new atomistic model for the threading screw dislocation core in wurtzite GaN. Computational Materials Science 51:1, pages 206-216.
Crossref
Hong Li, Stefan Wurster, Christian Motz, Lorenz Romaner, Claudia Ambrosch-Draxl & Reinhard Pippan. (2012) Dislocation-core symmetry and slip planes in tungsten alloys: Ab initio calculations and microcantilever bending experiments. Acta Materialia 60:2, pages 748-758.
Crossref
P. Hirel, M. Mrovec & C. Elsässer. (2012) Atomistic simulation study of 〈1 1 0〉 dislocations in strontium titanate. Acta Materialia 60:1, pages 329-338.
Crossref
W. Cai, J. Li & S. Yip. 2012. Comprehensive Nuclear Materials. Comprehensive Nuclear Materials 249 265 .
J.-P. Crocombette & F. Willaime. 2012. Comprehensive Nuclear Materials. Comprehensive Nuclear Materials 223 248 .
Emmanuel Clouet. (2011) Dislocation core field. I. Modeling in anisotropic linear elasticity theory. Physical Review B 84:22.
Crossref
Emmanuel Clouet, Lisa Ventelon & F. Willaime. (2011) Dislocation core field.II. Screw dislocation in iron. Physical Review B 84:22.
Crossref
Sylvie Aubry, Keonwook Kang, Seunghwa Ryu & Wei Cai. (2011) Energy barrier for homogeneous dislocation nucleation: Comparing atomistic and continuum models. Scripta Materialia 64:11, pages 1043-1046.
Crossref
J. Amodeo, Ph. Carrez, B. Devincre & P. Cordier. (2011) Multiscale modelling of MgO plasticity. Acta Materialia 59:6, pages 2291-2301.
Crossref
Hideki Mori, Hajime Kimizuka & Shigenobu Ogata. (2011) Microscopic Phase-Field Modeling of Edge and Screw Dislocation Core Structures and Peierls Stresses of BCC Iron. Journal of the Japan Institute of Metals 75:2, pages 104-109.
Crossref
A. M. Walker, P. Carrez & P. Cordier. (2018) Atomic-scale models of dislocation cores in minerals: progress and prospects. Mineralogical Magazine 74:3, pages 381-413.
Crossref
Elif Ertekin, D. C. Chrzan & Murray S. Daw. (2009) Topological description of the Stone-Wales defect formation energy in carbon nanotubes and graphene. Physical Review B 79:15.
Crossref
Lisa Ventelon, F. Willaime & P. Leyronnas. (2009) Atomistic simulation of single kinks of screw dislocations in α-Fe. Journal of Nuclear Materials 386-388, pages 26-29.
Crossref
Emmanuel Clouet, Lisa Ventelon & F. Willaime. (2009) Dislocation Core Energies and Core Fields from First Principles. Physical Review Letters 102:5.
Crossref
L. Pizzagalli, J.-L. Demenet & J. Rabier. (2009) Theoretical study of pressure effect on the dislocation core properties in semiconductors. Physical Review B 79:4.
Crossref
Wolfgang Lechner & Christoph Dellago. (2009) Point defects in two-dimensional colloidal crystals: simulation vs. elasticity theory. Soft Matter 5:3, pages 646-659.
Crossref
S Soleymani Shishvan, S Mohammadi & M Rahimian. (2008) A dislocation-dynamics-based derivation of the Frank–Read source characteristics for discrete dislocation plasticity. Modelling and Simulation in Materials Science and Engineering 16:7, pages 075002.
Crossref
Edmund B. WebbIIIIII, Jonathan A. Zimmerman & Steven C. Seel. (2008) Reconsideration of Continuum Thermomechanical Quantities in Atomic Scale Simulations. Mathematics and Mechanics of Solids 13:3-4, pages 221-266.
Crossref
David Stewart & Ke-Shen Cheong. (2008) Molecular dynamics simulations of dislocations and nanocrystals. Current Applied Physics 8:3-4, pages 494-497.
Crossref
Grzegorz Maciejewski. (2007) Plastic strain field caused by dislocations. Physica B: Condensed Matter 401-402, pages 699-701.
Crossref
Lisa Ventelon & F. Willaime. (2008) Core structure and Peierls potential of screw dislocations in α-Fe from first principles: cluster versus dipole approaches. Journal of Computer-Aided Materials Design 14:S1, pages 85-94.
Crossref
X. Wang, E. Pan & J. D. Albrecht. (2007) Anisotropic elasticity of multilayered crystals deformed by a biperiodic network of misfit dislocations. Physical Review B 76:13.
Crossref
A Arsenlis, W Cai, M Tang, M Rhee, T Oppelstrup, G Hommes, T G Pierce & V V Bulatov. (2007) Enabling strain hardening simulations with dislocation dynamics. Modelling and Simulation in Materials Science and Engineering 15:6, pages 553-595.
Crossref
K.W. Schwarz. 2007. Multiscale Materials Modelling. Multiscale Materials Modelling 25 61 .
Murray S. Daw. (2006) Elasticity effects in electronic structure calculations with periodic boundary conditions. Computational Materials Science 38:2, pages 293-297.
Crossref
Michael Zaiser & Paolo Moretti. (2005) Fluctuation phenomena in crystal plasticity—a continuum model. Journal of Statistical Mechanics: Theory and Experiment 2005:08, pages P08004-P08004.
Crossref
C.T. Bodur, J. Chang & A.S. Argon. (2005) Molecular dynamics simulations of basal and pyramidal system edge dislocations in sapphire. Journal of the European Ceramic Society 25:8, pages 1431-1439.
Crossref
Wei Cai. 2005. Handbook of Materials Modeling. Handbook of Materials Modeling 813 826 .
Ju Li. 2005. Handbook of Materials Modeling. Handbook of Materials Modeling 773 792 .
Yang Xiang & David J. Srolovitz. 2005. Handbook of Materials Modeling. Handbook of Materials Modeling 2307 2323 .
Ju Li, Cai-Zhuang Wang, Jin-Peng Chang, Wei Cai, Vasily V. Bulatov, Kai-Ming Ho & Sidney Yip. (2004) Core energy and Peierls stress of a screw dislocation in bcc molybdenum: A periodic-cell tight-binding study. Physical Review B 70:10.
Crossref
Wei Cai, Vasily V. Bulatov, Jinpeng Chang, Ju Li & Sidney Yip. 2004. 1 80 .
Ioannis G. Kevrekidis, Ju Li & Sidney Yip. 2004. Multiscale Modelling and Simulation. Multiscale Modelling and Simulation 69 79 .
Wei Cai, Vasily V. Bulatov, Tim G. Pierce, Masato Hiratani, Moono Rhee, Maria Bartelt & Meijie Tang. 2004. IUTAM Symposium on Mesoscopic Dynamics of Fracture Process and Materials Strength. IUTAM Symposium on Mesoscopic Dynamics of Fracture Process and Materials Strength 1 11 .
Yang Xiang, Li-Tien Cheng, David J. Srolovitz & Weinan E. (2003) A level set method for dislocation dynamics. Acta Materialia 51:18, pages 5499-5518.
Crossref
Rana Hossain, Hajime Kimizuka, Yoshinori Shiihara & Shigenobu Ogata. (2022) Core Structure and Peierls Barrier of Basal Edge Dislocations in Ti3alc2 Max Phase. SSRN Electronic Journal.
Crossref
Yu-Hao Li, Hong-Bo Zhou, Fei Gao, Gang Lu, Guanghong Lu & Feng Liu. (2021) Hydrogen Induced Dislocation Core Reconstruction in Bcc Metals. SSRN Electronic Journal.
Crossref

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