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Lattices are architected metamaterials whose properties strongly depend on their geometrical design. The analogy between lattices and graphs enables the use of graph neural networks (GNNs) as a faster surrogate model compared to traditional…

机器学习 · 计算机科学 2024-03-21 Ivan Grega , Ilyes Batatia , Gábor Csányi , Sri Karlapati , Vikram S. Deshpande

Graphitic nanostructures, e.g. carbon nanotubes (CNT) and graphene, have been proposed as ideal materials for spin conduction[1-7]; they have long electronic mean free paths[8] and small spin-orbit coupling[9], hence are expected to have…

介观与纳米尺度物理 · 物理学 2007-12-05 Sungjae Cho , Yung-Fu Chen , Michael S. Fuhrer

In this paper, the validity and accuracy of three interatomic potentials and the continuum shell model of Ghaffari and Sauer [1] are investigated. The mechanical behavior of single-layered graphene sheets (SLGSs) under uniaxial stretching,…

计算物理 · 物理学 2023-05-26 Aningi Mokhalingam , Reza Ghaffari , Roger A. Sauer , Shakti S. Gupta

We develop a hyperelastic constitutive model for graphene --- describing in-plane deformations involving both large isotropic and deviatoric strains --- based on the invariant-theoretic approach to representation of anisotropic functions.…

材料科学 · 物理学 2014-07-09 Sandeep Kumar , David M. Parks

Super-compressible foam-like carbon nanotube films have been reported to exhibit highly nonlinear viscoelastic behaviour in compression similar to soft tissue. Their unique combination of light weight and exceptional electrical, thermal and…

材料科学 · 物理学 2008-04-08 A. Misra , J. R. Greer , C. Daraio

A new formula for elastic bending modulus of monolayer graphene is derived analytically from an empirical potential for solid-state carbon-carbon bonds. Two physical origins are identified for the non-vanishing bending modulus of the…

材料科学 · 物理学 2015-05-13 Qiang Lu , Marino Arroyo , Rui Huang

This paper presents a finite element model for the analysis of crack-tip fields in a transversely isotropic strain-limiting elastic body. A nonlinear constitutive relationship between stress and linearized strain characterizes the material…

数值分析 · 数学 2025-03-12 Saugata Ghosh , Dambaru Bhatta , S. M. Mallikarjunaiah

A new nonlinear hyperelastic bending model for shells formulated directly in surface form is presented, and compared to four prominently used bending models. Through an essential set of elementary nonlinear bending test cases, the stresses…

计算工程、金融与科学 · 计算机科学 2023-04-20 Eshwar J. Savitha , Roger A. Sauer

The small mass and atomic-scale thickness of graphene membranes make them highly suitable for nanoelectromechanical devices such as e.g. mass sensors, high frequency resonators or memory elements. Although only atomically thick, many of the…

Graphene, one of the strongest materials ever discovered, triggered the exploration of many 2D materials in the last decade. However, the successful synthesis of a stable nanomaterial requires a rudimentary understanding of the relationship…

Short fiber reinforced polymer composites have found extensive industrial and engineering applications owing to their unique combination of low cost, relatively easy processing and superior mechanical properties compared to their parent…

计算物理 · 物理学 2017-04-06 Atiyeh Alsadat Mousavi , Behrouz Arash , Xiaoying Zhuang , Timon Rabczuk

This work proposes a new efficient approach for calculating the bending stiffness of two-dimensional materials using simple atomistic tests on small periodic unit cells. The tests are designed such that bending deformations are dominating…

材料科学 · 物理学 2022-12-23 Farzad Shirazian , Roger A. Sauer

Herein, we investigate the structural, electronic and mechanical properties of zigzag graphene nanoribbons upon the presence of stress applying Density Functional Theory within the GGA-PBE approximation. The uniaxial stress is applied along…

材料科学 · 物理学 2015-05-13 Ricardo Faccio , Pablo A. Denis , Helena Pardo , Cecilia Goyenola , Alvaro W. Mombru

This paper presents a comprehensive computational framework for investigating thermo-elastic fracture in transversely isotropic materials, where classical linear elasticity fails to predict physically realistic behavior near stress…

数值分析 · 数学 2025-10-08 Saugata Ghosh , Dambaru Bhatta , S. M. Mallikarjunaiah

In this paper, we propose a combined modeling of molecular mechanics (MM) and the tight-binding (TB) approach, which enables us to study the effect of factors such as external local forces, constraints, and vacancy defects on electronic…

计算物理 · 物理学 2021-03-11 Mahnoosh Rostami , Isa Ahmadi , Farhad Khoeini

Graphene and some graphene like two dimensional materials; hexagonal boron nitride (hBN) and silicene have unique mechanical properties which severely limit the suitability of conventional theories used for common brittle and ductile…

材料科学 · 物理学 2017-04-11 Tawfiqur Rakib , Satyajit Mojumder , Sourav Das , Sourav Saha , Mohammad Motalab

An $hp$-adaptive continuous Galerkin finite element method is developed to analyze a static anti-plane shear crack embedded in a nonlinear, strain-limiting elastic body. The geometrically linear material is described by a constitutive law…

数值分析 · 数学 2025-08-01 S. M. Mallikarjunaiah , Pavithra Venkatachalapthy

We introduce a new scheme to realize suspended, multi-terminal graphene structures that can be current annealed successfully to obtain uniform, very high quality devices. A key aspect is that the bulky metallic contacts are not connected…

介观与纳米尺度物理 · 物理学 2014-01-17 Dong-Keun Ki , Alberto F. Morpurgo

Several experiments have recently found room-temperature ferromagnetism in graphite-like carbon based materials. This paper offers a model explaining such ferromagnetism by using an asymmetric nano-graphene. Our first typical model is…

介观与纳米尺度物理 · 物理学 2011-01-28 Norio Ota , Narjes Gorjizadeh , Yoshiyuki Kawazoe

Accurate prediction of springback and formability in sheet metal forming requires understanding reverse loading behavior under complex loading path changes, such as tension followed by compression. However, for ultra-thin sheets…