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Philosophical Magazine A Volume 51, 1985 - Issue 4
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Original Articles

Atomic structure of (001) twist boundaries in f.c.c metals Structural unit model

D. Schwartz Department of Materials Science and Engineering and LRSM, University of Pennsylvania, Philadelphia, Pennsylvania, 19104, U.S.A.
,
V. Vitek Department of Materials Science and Engineering and LRSM, University of Pennsylvania, Philadelphia, Pennsylvania, 19104, U.S.A.
&
A. P. Sutton Department of Metallurgy and Science of Materials, University of Oxford, Parks Road, Oxford, England
Pages 499-520 | Received 12 Jun 1984, Accepted 18 Oct 1984, Published online: 13 Sep 2006

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K. A. Padmanabhan & J. Schlipf. (1996) Model for grain boundary sliding and its relevance to optimal structural superplasticity Part 1—Theory. Materials Science and Technology 12:5, pages 391-399.
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J.Th. M. De Hosson & V. Vitek. (1990) Atomic structure of (111) twist grain boundaries in f.c.c metals. Philosophical Magazine A 61:2, pages 305-327.
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A.P. Sutton. (1989) Temperature-dependent interatomic forces. Philosophical Magazine A 60:2, pages 147-159.
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A.P. Sutton. (1989) On the structural unit model of grain boundary structure. Philosophical Magazine Letters 59:2, pages 53-59.
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V. Vitek. (1988) Interatomic forces in relation to the theory of dislocations. Philosophical Magazine A 58:1, pages 193-212.
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E.P. Kvam & R.W. Balluffi. (1987) Observations of hierarchical grain-boundary dislocation structures in [001] symmetric tilt boundaries in gold. Philosophical Magazine A 56:1, pages 137-148.
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S.E. Babcock & R.W. Balluffi. (1987) Secondary grain boundary dislocation structures in gold and silver 〈001〉 twist boundaries revisited. Philosophical Magazine A 55:5, pages 643-653.
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M.D. Vaudin, P.A. Lamarre, F. Schmuckle & S.L. Sass. (1986) Diffraction study of the influences of bonding type and misorientation angle on the structure of [001] twist boundaries along the direction normal to the interface. Philosophical Magazine A 54:1, pages 21-35.
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Articles from other publishers (44)

J. Quirk, M. Rothmann, W. Li, D. Abou-Ras & K. P. McKenna. (2024) Grain boundaries in polycrystalline materials for energy applications: First principles modeling and electron microscopy. Applied Physics Reviews 11:1.
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L. Heep, C. Schwalbe, C. Heinze, A. Dlouhy, C.M.F. Rae & G. Eggeler. (2021) Dislocation networks in gamma/gamma’-microstructures formed during selective laser melting of a Ni-base superalloy. Scripta Materialia 190, pages 121-125.
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Jian Yin, Yi Wang, Xiaohan Yan, Huaiyu Hou & Jing Tao Wang. (2018) Atomistic simulation of shear-coupled motion of [1 1 0] symmetric tilt grain boundary in α-iron. Computational Materials Science 148, pages 141-148.
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Jian Han, Vaclav Vitek & David J. Srolovitz. (2017) The grain-boundary structural unit model redux. Acta Materialia 133, pages 186-199.
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Luchan Zhang, Yejun Gu & Yang Xiang. (2017) Energy of low angle grain boundaries based on continuum dislocation structure. Acta Materialia 126, pages 11-24.
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Donald W. Brenner & Olga A. Shenderova. (2015) Theory and modelling of diamond fracture from an atomic perspective. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 373:2038, pages 20140139.
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Shuyang Dai, Yang Xiang & David J. Srolovitz. (2014) Atomistic, generalized Peierls–Nabarro and analytical models for (111) twist boundaries in Al, Cu and Ni for all twist angles. Acta Materialia 69, pages 162-174.
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David L. Olmsted, Stephen M. Foiles & Elizabeth A. Holm. (2009) Survey of computed grain boundary properties in face-centered cubic metals: I. Grain boundary energy. Acta Materialia 57:13, pages 3694-3703.
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K. A. Padmanabhan. (2009) Grain boundary sliding controlled flow and its relevance to superplasticity in metals, alloys, ceramics and intermetallics and strain-rate dependent flow in nanostructured materials. Journal of Materials Science 44:9, pages 2226-2238.
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E J Widjaja & L D Marks. (2008) Models for quasicrystal–crystal epitaxy. Journal of Physics: Condensed Matter 20:31, pages 314003.
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A. Yu. Belov, K. Scheerschmidt & U. Gösele. (1999) Extended Point Defect Structures at Intersections of Screw Dislocations in Si: A Molecular Dynamics Study. physica status solidi (a) 171:1, pages 159-166.
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J. D. Rittner & D. N. Seidman. (1996) 〈110〉 symmetric tilt grain-boundary structures in fcc metals with low stacking-fault energies. Physical Review B 54:10, pages 6999-7015.
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Akira Seki, Olof Hellman & Shun-ichiro Tanaka. (1996) Calculation of grain boundary energies and structures in copper [001] twist boundaries using the modified embedded atom method. Scripta Materialia 34:12, pages 1867-1870.
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V. Vitek. 1996. Stability of Materials. Stability of Materials 53 97 .
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D.N. Seidman, B.W. Krakauer & D. Udler. (1994) Atomic scale studies of solute-atom segregation at grain boundaries: Experiments and simulations. Journal of Physics and Chemistry of Solids 55:10, pages 1035-1057.
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D. Udler & D.N. Seidman. (1994) Solute-atom segregation at (002) twist boundaries in dilute NiPt alloys: Structural/chemical relations. Acta Metallurgica et Materialia 42:6, pages 1959-1972.
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J. Erhart & I. Trubelík. (2006) Computer Simulation of the 36.87° [001] {310} Symmetrical Tilt Grain Boundary Structure in B.C.C. Metals. physica status solidi (b) 179:2, pages 329-336.
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H.Y. Wang, R. Najafabadi, D.J. Srolovitz & R. Lesar. (1993) Segregation to and structure of [001] twist grain boundaries in CuNi alloys. Acta Metallurgica et Materialia 41:9, pages 2533-2546.
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Hui Lin & D.P. Pope. (1993) The influence of grain boundary geometry on intergranular crack propagation in Ni3Al. Acta Metallurgica et Materialia 41:2, pages 553-562.
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D. Udler & D. N. Seidman. (2006) Solute‐Atom Segregation at Symmetrical Twist Boundaries Studied by Monte Carlo Simulation. physica status solidi (b) 172:1, pages 267-286.
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. (1997) Grain boundaries as heterogeneous systems: atomic and continuum elastic properties. Philosophical Transactions of the Royal Society of London. Series A: Physical and Engineering Sciences 339:1655, pages 555-586.
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Gui Jin Wang & V. Vitek. (2011) A Study of the Dependence of the Structure of Σ = 3 Tilt Boundaries in Gold on the Inclination of the Boundary Plane. MRS Proceedings 278.
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A. Seki, D.N. Seidman, Y. Oh & S.M. Foiles. (1991) Monte Carlo simulations of segregation at [001] twist boundaries in a Pt(Au) alloy—II. Discussion. Acta Metallurgica et Materialia 39:12, pages 3179-3185.
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A. Seki, D.N. Seidman, Y. Oh & S.M. Foiles. (1991) Monte Carlo simulations of segregation at [001] twist boundaries in a Pt(Au) alloy—I. Results. Acta Metallurgica et Materialia 39:12, pages 3167-3177.
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M. YamashitaS. Hashimoto, T. Mimaki & S. Miura. (1991) Bicrystal Study on Intergranular Stress-Corrosion-Cracking. Materials Transactions, JIM 32:10, pages 885-897.
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M. Yamashita, M. Yoshioka, T. Mimaki, S. Hashimoto & S. Miura. (1990) Stress-corrosion-cracking of (100)-twist boundaries in Cu-9at.%Al alloy. Acta Metallurgica et Materialia 38:9, pages 1619-1623.
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Adrian P. Sutton. 1989. Atomistic Simulation of Materials. Atomistic Simulation of Materials 265 278 .
J.J. Kruisman, V. Vitek & J.Th.M. De Hosson. (1988) Atomic structure of stoichiometric and non-stoichiometric grain boundaries in A3B compounds with L12 structure. Acta Metallurgica 36:10, pages 2729-2741.
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A.P. Sutton. (1988) Irrational tilt grain boundaries as one-dimensional quasicrystals. Acta Metallurgica 36:5, pages 1291-1299.
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D. Schwartz, P.D. Bristowe & V. Vitek. (1988) Dislocation structure and energy of high angle [001] twist boundaries: A computer simulation study. Acta Metallurgica 36:3, pages 675-687.
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Adrian P. Sutton. (2011) Modelling of the Atomic and Electronic Structures of Interfaces. MRS Proceedings 122.
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J. Th. M. De Hosson, B. J. Pestman, F. W. Schapink & F. D. Tichelaar. (2011) Computer Generated Structures of Grain Boundaries in L12-Type Ordered Alloys. MRS Proceedings 122.
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V. Paidar & I. Paidarova. (2011) Combinations of Structural Elements at Grain Boundaries. MRS Proceedings 122.
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J. Th. M. Hosson & V. Vitek. 1987. Chemistry and Physics of Fracture. Chemistry and Physics of Fracture 363 387 .
Y. Oh & V. Vitek. (1986) Structural multiplicity of ∑ = 5(001) twist boundaries and interpretation of X-ray diffraction from these boundaries. Acta Metallurgica 34:10, pages 1941-1953.
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R. Z. Valiev, V. Yu. Gertsman & O. A. Kaibyshev. (1986) Grain boundary structure and properties under external influences. physica status solidi (a) 97:1, pages 11-56.
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