Geometric Modeling of a Line of Alternating Disclinations: Application to Grain Boundaries in Graphene

We develop a conformal geometric model for grain boundaries in graphene based on a periodic line of alternating disclinations. Within the framework of (2+1)-dimensional gravity, we solve a reduced form of the Einstein equations to determine the conformal factor, from which the induced metric, scalar curvature, and holonomy are obtained analytically. Each pentagon-heptagon pair is modeled as a disclination dipole, forming a continuous distribution that captures the geometric signature of experimentally observed 5-7 grain boundaries. We show that the curvature is localized near the defect line and that the geometry becomes asymptotically flat, with trivial holonomy at large distances. This construction provides a tractable and physically consistent realization of the Katanaev-Volovich framework, connecting topological defect theory with atomistic features of graphene.

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Journal
ArXiv.org
Published
2025-07-04
Primary Topic
Advanced Theoretical and Applied Studies in Material Sciences and Geometry
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article
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article

Geometric Modeling of a Line of Alternating Disclinations: Application to Grain Boundaries in Graphene

C. Furtado, A. M. de M. Carvalho
ArXiv.org
Advanced Theoretical and Applied Studies in Material Sciences and Geometry
article

Geometric Modeling of a Line of Alternating Disclinations: Application to Grain Boundaries in Graphene

C. Furtado, A. M. de M. Carvalho
article en

Abstract

We develop a conformal geometric model for grain boundaries in graphene based on a periodic line of alternating disclinations. Within the framework of (2+1)-dimensional gravity, we solve a reduced form of the Einstein equations to determine the conformal factor, from which the induced metric, scalar curvature, and holonomy are obtained analytically. Each pentagon-heptagon pair is modeled as a disclination dipole, forming a continuous distribution that captures the geometric signature of experimentally observed 5-7 grain boundaries. We show that the curvature is localized near the defect line and that the geometry becomes asymptotically flat, with trivial holonomy at large distances. This construction provides a tractable and physically consistent realization of the Katanaev-Volovich framework, connecting topological defect theory with atomistic features of graphene.

ArXiv.org
Openalex Percentile: Top 72%
Advanced Theoretical and Applied Studies in Material Sciences and Geometry
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Geometric Modeling of a Line of Alternating Disclinations: Application to Grain Boundaries in Graphene — C. Furtado, A. M. de M. Carvalho · ArXiv.org (2025) | TGRS Research Map | TGRS