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Philosophical Magazine Letters Volume 57, 1988 - Issue 1
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Original Articles

Isotope effect of vacancy diffusion in b.c.c. α-Fe

M. Marchese Department of Physics and Materials Research Laboratory, University of Illinois at Urbana-Champaign, Urbana, Illinois, 61801, U.S.A.
,
G. Jacucci Department of Physics and Materials Research Laboratory, University of Illinois at Urbana-Champaign, Urbana, Illinois, 61801, U.S.A.; Centro del Consiglio Nazionale delle Ricerche e Dipartimento di Fisica, Università di Trento, 38050 Povo, Trento, Italy
&
C. P. Flynn Department of Physics and Materials Research Laboratory, University of Illinois at Urbana-Champaign, Urbana, Illinois, 61801, U.S.A.
Pages 25-30 | Received 17 Sep 1987, Accepted 30 Sep 1987, Published online: 20 Aug 2006

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B. X. Liu, W. S. Lai & Z. J. Zhang. (2001) Solid-state crystal-to-amorphous transition in metal‐metal multilayers and its thermodynamic and atomistic modelling. Advances in Physics 50:4, pages 367-429.
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M. Bacia, J. Morillo, J.M. Pénisson & V. Pontikis. (1997) Atomic structure of the ∑ = 5, (210) and (310), [001] tilt axis grain boundaries in Mo: a joint study by computer simulation and high-resolution electron microscopy. Philosophical Magazine A 76:5, pages 945-963.
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R. Rebonato. (1989) Adaptation of the Finnis-Sinclair potentials for conditions of extension and for b.c.c. transition metal alloys. Philosophical Magazine B 60:3, pages 325-334.
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A.P. Sutton. (1989) Temperature-dependent interatomic forces. Philosophical Magazine A 60:2, pages 147-159.
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Hyung Gyu Lee, SangHyuk Yoo, Byeongchan Lee & Keonwook Kang. (2020) Free-surface effect on displacement cascades in BCC W: molecular dynamics study. Nuclear Fusion 60:12, pages 126009.
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Robert Meyer, Andreas Mutter, Philipp Umstätter, Volker Schünemann, Tilmann Beck, Marek Smaga & Herbert M. Urbassek. (2020) Vibrational and magnetic signatures of extended defects in Fe. The European Physical Journal B 93:6.
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Johannes J. Möller, Matous Mrovec, Ivan Bleskov, Jörg Neugebauer, Thomas Hammerschmidt, Ralf Drautz, Christian Elsässer, Tilmann Hickel & Erik Bitzek. (2018) planar faults in strained bcc metals: Origins and implications of a commonly observed artifact of classical potentials . Physical Review Materials 2:9.
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Daniele Dragoni, Davide Ceresoli & Nicola Marzari. (2018) Vibrational and thermoelastic properties of bcc iron from selected EAM potentials. Computational Materials Science 152, pages 99-106.
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J. Möller & Erik Bitzek. 2018. Fatigue of Materials at Very High Numbers of Loading Cycles. Fatigue of Materials at Very High Numbers of Loading Cycles 25 48 .
N. Gao, W. Setyawan, S.H. Zhang & Z.G. Wang. (2017) Defect-induced change of temperature-dependent elastic constants in BCC iron. Journal of Nuclear Materials 490, pages 125-129.
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Farid Taherkhani & Pegah Freshteh Seresht. (2015) Doping effect on the Janus-like structure of a copper–iron bimetallic nanocluster and its solid–liquid phase transition. Progress of Theoretical and Experimental Physics 2015:4.
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Johannes J Möller & Erik Bitzek. (2014) Comparative study of embedded atom potentials for atomistic simulations of fracture in α -iron . Modelling and Simulation in Materials Science and Engineering 22:4, pages 045002.
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M. A. Karolewski, R. G. Cavell, R. A. Gordon, C. J. Glover, M. Cheah & M. C. Ridgway. (2013) Predicting XAFS scattering path cumulants and XAFS spectra for metals (Cu, Ni, Fe, Ti, Au) using molecular dynamics simulations. Journal of Synchrotron Radiation 20:4, pages 555-566.
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Ngoc Ha Nguyen, Richter Henning & John Z. Wen. (2010) Molecular dynamics simulation of iron nanoparticle sintering during flame synthesis. Journal of Nanoparticle Research 13:2, pages 803-815.
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Derek J. Hepburn & Graeme J. Ackland. (2008) Metallic-covalent interatomic potential for carbon in iron. Physical Review B 78:16.
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Cemal Engin, Luis Sandoval & Herbert M Urbassek. (2008) Characterization of Fe potentials with respect to the stability of the bcc and fcc phase. Modelling and Simulation in Materials Science and Engineering 16:3, pages 035005.
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Wangyu Hu & Fukumoto Masahiro. (2002) The application of the analytic embedded atom potentials to alkali metals. Modelling and Simulation in Materials Science and Engineering 10:6, pages 707-726.
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B.X. Liu, W.S. Lai & Q. Zhang. (2000) Irradiation induced amorphization in metallic multilayers and calculation of glass-forming ability from atomistic potential in the binary metal systems. Materials Science and Engineering: R: Reports 29:1-2, pages 1-48.
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Alessandra Satta, F. Willaime & Stefano de Gironcoli. (1999) First-principles study of vacancy formation and migration energies in tantalum. Physical Review B 60:10, pages 7001-7005.
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Yoshiharu Shimomura, Kenjiro Sugio, Yoshiaki Kogure & Masao Doyama. (1999) Point defects and their clusters in bcc metals. Computational Materials Science 14:1-4, pages 36-42.
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Q. Zhang, W. S. Lai & B. X. Liu. (1998) Solid-state amorphization in Ni/Mo multilayers studied with molecular-dynamics simulation. Physical Review B 58:20, pages 14020-14030.
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C M Goringe, D R Bowler & E Hernández. (1997) Tight-binding modelling of materials. Reports on Progress in Physics 60:12, pages 1447-1512.
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Alessandra Satta, F. Willaimel & Stefano de Gironcoli. (2011) Vacancy Properties In 5d Bcc Transition Metals: Ab Initio Study At Finite Electron Temperature. MRS Proceedings 481.
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Qian Xie & Nan-xian Chen. (1995) Recovery of an N -body potential from a universal cohesion equation . Physical Review B 51:22, pages 15856-15860.
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Chen Peng, Xie Qian & Huang Meichun. (1995) Calculation of Thermodynamical Properties of Silver Using a Lattice-Inverted Many-Body Potential. Chinese Physics Letters 12:6, pages 374-377.
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Yifang Ouyang & Bangwei Zhang. (1994) Analytic embedded-atom potentials for bcc metals: application to calculating the thermodynamic data of bcc alloys. Physics Letters A 192:1, pages 79-86.
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Wei Xu & James B. Adams. (1994) Fourth moment approximation to tight binding: application to bcc transition metals. Surface Science 301:1-3, pages 371-385.
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A.F. Calder & D.J. Bacon. (1993) A molecular dynamics study of displacement cascades in α-iron. Journal of Nuclear Materials 207, pages 25-45.
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Fabrizio Cleri & Vittorio Rosato. (1993) Tight-binding potentials for transition metals and alloys. Physical Review B 48:1, pages 22-33.
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L Zhao, R Najafabadi & D J Srolovitz. (1993) Finite temperature vacancy formation thermodynamics: local harmonic and quasiharmonic studies. Modelling and Simulation in Materials Science and Engineering 1:4, pages 539-551.
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J. O. A. Idiodi & G. N. Obodi. (2006) The Separable Potential Method and Its Connection with the Embedded‐Atom Method. physica status solidi (b) 177:2, pages 281-293.
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Murray S. Daw, Stephen M. Foiles & Michael I. Baskes. (1993) The embedded-atom method: a review of theory and applications. Materials Science Reports 9:7-8, pages 251-310.
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H R Schober, W Petry & J Trampenau. (1992) Migration enthalpies in FCC and BCC metals. Journal of Physics: Condensed Matter 4:47, pages 9321-9338.
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A.M. Guellil & J.B. Adams. (2011) The application of the analytic embedded atom method to bcc metals and alloys. Journal of Materials Research 7:3, pages 639-652.
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Stephen M. Foiles. 1992. Equilibrium Structure and Properties of Surfaces and Interfaces. Equilibrium Structure and Properties of Surfaces and Interfaces 89 122 .
V. V. Ogorodnikov & V. V. Pokropivny. (1991) EmpiricalN-Body Interatomic Potential for B.C.C. Transition Metals. physica status solidi (b) 166:1, pages 69-78.
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F. Willaime & C. Massobrio. (1991) Development of an N -body interatomic potential for hcp and bcc zirconium . Physical Review B 43:14, pages 11653-11665.
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Janusz M. Holender. (1990) Molecular-dynamics studies of the thermal properties of the solid and liquid fcc metals Ag, Au, Cu, and Ni using many-body interactions. Physical Review B 41:12, pages 8054-8061.
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James B. Adams & Stephen M. Foiles. (1990) Development of an embedded-atom potential for a bcc metal: Vanadium. Physical Review B 41:6, pages 3316-3328.
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Bocquet Jean-Louis. 1990. Diffusion in Materials. Diffusion in Materials 87 128 .
M. S. Daw. 1990. Many-Atom Interactions in Solids. Many-Atom Interactions in Solids 48 63 .
V. Rosato. (1989) Comparative behavior of carbon in b.c.c. and f.c.c. iron. Acta Metallurgica 37:10, pages 2759-2763.
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S. M. Foiles & J. B. Adams. (1989) Thermodynamic properties of fcc transition metals as calculated with the embedded-atom method. Physical Review B 40:9, pages 5909-5915.
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R. LeSar, R. Najafabadi & D. J. Srolovitz. (1989) Finite-temperature defect properties from free-energy minimization. Physical Review Letters 63:6, pages 624-627.
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M. W. Finnis. 1989. Atomistic Simulation of Materials. Atomistic Simulation of Materials 369 380 .
Adrian P. Sutton. 1989. Atomistic Simulation of Materials. Atomistic Simulation of Materials 265 278 .
Stephen M. Foiles & Murray S. Daw. (1988) Calculation of the thermal expansion of metals using the embedded-atom method. Physical Review B 38:17, pages 12643-12644.
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M. Marchese & C. P. Flynn. (1988) Global mass dependence of the isotope effect in diffusion. Physical Review B 38:17, pages 12200-12207.
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James M. Eridon & Satish Rao. (2011) Derivation of Many-Body Potentials for Examining Defect Behavior in Bcc Niobium. MRS Proceedings 141.
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