Rotation boundaries and crystal growth in the hexagonal system

Minkoff, I.; Myron, S.M.

doi:10.1080/14786436908217794

Cited by 25 publications

(13 citation statements)

References 4 publications

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“…It can be noticed that GBs with a misorientation angle lower than 7°are absent since low misorientation angle will result in very long periodic length along the boundary, making DFT calculations impossible. Except for some GBs with very low misorientation angle, the formation energies from our calculations are consistent with previous experimental observations [104] and theoretical explorations [103,105,106].…”

Section: Structural Models Of Graphene Gbssupporting

confidence: 92%

“…Besides, another parameter, coincident site lattice (CSL) value ( P ), can also roughly characterize the stability, which is usually related to the growth process of the polycrystalline graphene materials [103]. For a symmetric (n L , m L )|(n R , m R ) GB, it can be determined by: Table 3 lists the CSL value P , misorientation angles h and periodic length L resulted from the DFT calculations.…”

Section: Structural Models Of Graphene Gbsmentioning

confidence: 99%

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Tailoring physical properties of graphene: Effects of hydrogenation, oxidation, and grain boundaries by atomistic simulations

Liu

Zhang

Gao

et al. 2016

Computational Materials Science

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Section: Structural Models Of Graphene Gbssupporting

confidence: 92%

Section: Structural Models Of Graphene Gbsmentioning

confidence: 99%

Tailoring physical properties of graphene: Effects of hydrogenation, oxidation, and grain boundaries by atomistic simulations

Liu

Zhang

Gao

et al. 2016

Computational Materials Science

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“…It is interesting to note that according to these authors, the occurrence of such defects does not depend on the misorientation angle but rather on the formation energy of such defects. However, the most energetically favoured angles correspond to misorientations predicted by the coincidence site lattice theory [13] with angles that were commonly observed during the present work and previously reported [6].…”

Section: Discussionmentioning

confidence: 50%

Misorientations in spheroidal graphite: some new insights about spheroidal graphite growth in cast irons

Lacaze

Theuwissen

Laffont

et al. 2016

IOP Conf. Ser.: Mater. Sci. Eng.

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Abstract. Local diffraction patterning, orientation mapping and high resolution transmission electron microscopy imaging have been used to characterize misorientations in graphite spheroids of cast irons. Emphasis is put here on bulk graphite, away from the nucleus as well as from the outer surface of the spheroids in order to get information on their growth during solidification. The results show that spheroidal graphite consists in conical sectors made of elementary blocks piled up on each other. These blocks are elongated along the prismatic a direction of graphite with the c axes roughly parallel to the radius of the spheroids. This implies that the orientation of the blocks rotates around the spheroid centre giving low angle tilting misorientations along tangential direction within each sector. Misorientations between neighbouring sectors are of higher values and their interfaces show rippled layers which are characteristic of defects in graphene. Along a radius of the spheroid, clockwise and anticlockwise twisting between blocks is observed. These observations help challenging some of the models proposed to explain spheroidal growth in cast ions.

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“…3 represent rotations of 27 of the c axis of graphite [18]. This value corresponds to a low energy stacking fault in the graphite lattice as predicted by the coincidence site lattice theory [26,27] and determined in recent studies by means of atomistic calculations [28,29]. According to some authors [9,26], this rotation is likely to occur in a growing graphite crystal and would consequently provide steps for atom attachment [30].…”

Section: Spheroidal Graphitementioning

confidence: 81%

Structure of graphite precipitates in cast iron

Theuwissen

Lacaze

Laffont

2016

Carbon

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This study presents microstructural investigations of graphite precipitates found in cast irons. Binary Fe eC, FeeCeSb and FeeCeCe alloys containing different graphite morphologies (flake and spheroidal) were produced and compared to commercial irons in an attempt to rationalize the effect of Sb and Ce on graphite growth. The extensive use of transmission electron microscopy (mainly electron diffraction and high resolution lattice fringe imaging) enabled further understanding of graphite growth mechanisms. It was found that the inner structure of graphite precipitates consists of growth blocks stacked upon each other, for all investigated morphologies. This suggests that graphite crystals develop mainly by a 2D nucleation and growth mechanism, and that the final shape of the precipitates is associated to the occurrence of crystallographic defects in the graphite lattice (such as twins, misorientations and rotations) during growth.

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Rotation boundaries and crystal growth in the hexagonal system

Cited by 25 publications

References 4 publications

Tailoring physical properties of graphene: Effects of hydrogenation, oxidation, and grain boundaries by atomistic simulations

Tailoring physical properties of graphene: Effects of hydrogenation, oxidation, and grain boundaries by atomistic simulations

Misorientations in spheroidal graphite: some new insights about spheroidal graphite growth in cast irons

Structure of graphite precipitates in cast iron

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