Comparison of various schemes to determine the Young’s modulus of disordered carbon nanomembranes compared to crystalline graphene

IF 2.9 3区物理与天体物理 Q3 NANOSCIENCE & NANOTECHNOLOGY

Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-02-01 DOI:10.1016/j.physe.2024.116170

Levin Mihlan, Julian Ehrens, Jürgen Schnack

引用次数: 0

Abstract

The determination of mechanical properties such as the Young’s modulus provides an important means to compare classical molecular dynamics simulations with materials. In this respect, ultra-thin materials hold several challenges: their volume is ambiguous, and different methods to determine a stress–strain relation deliver different results in particular for disordered systems. Using the example of carbon nanomembranes we discuss three common approaches to the problem and show that stress–strain simulations following experimental setups deliver correct results if adjusted carefully. We provide step-by-step instructions how to perform trustworthy simulations.

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测定无序碳纳米膜与结晶石墨烯的杨氏模量的各种方案的比较

杨氏模量等力学性能的测定提供了将经典分子动力学模拟与材料进行比较的重要手段。在这方面，超薄材料面临着几个挑战：它们的体积是模糊的，确定应力-应变关系的不同方法会产生不同的结果，特别是对于无序系统。以碳纳米膜为例，我们讨论了解决这一问题的三种常见方法，并表明如果仔细调整，实验设置后的应力应变模拟可以提供正确的结果。我们提供了如何执行可信模拟的分步说明。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Physica E-low-dimensional Systems & Nanostructures 物理-纳米科技

CiteScore

7.30

自引率

6.10%

发文量

356

审稿时长

65 days

期刊介绍： Physica E: Low-dimensional systems and nanostructures contains papers and invited review articles on the fundamental and applied aspects of physics in low-dimensional electron systems, in semiconductor heterostructures, oxide interfaces, quantum wells and superlattices, quantum wires and dots, novel quantum states of matter such as topological insulators, and Weyl semimetals. Both theoretical and experimental contributions are invited. Topics suitable for publication in this journal include spin related phenomena, optical and transport properties, many-body effects, integer and fractional quantum Hall effects, quantum spin Hall effect, single electron effects and devices, Majorana fermions, and other novel phenomena. Keywords: • topological insulators/superconductors, majorana fermions, Wyel semimetals; • quantum and neuromorphic computing/quantum information physics and devices based on low dimensional systems; • layered superconductivity, low dimensional systems with superconducting proximity effect; • 2D materials such as transition metal dichalcogenides; • oxide heterostructures including ZnO, SrTiO3 etc; • carbon nanostructures (graphene, carbon nanotubes, diamond NV center, etc.) • quantum wells and superlattices; • quantum Hall effect, quantum spin Hall effect, quantum anomalous Hall effect; • optical- and phonons-related phenomena; • magnetic-semiconductor structures; • charge/spin-, magnon-, skyrmion-, Cooper pair- and majorana fermion- transport and tunneling; • ultra-fast nonlinear optical phenomena; • novel devices and applications (such as high performance sensor, solar cell, etc); • novel growth and fabrication techniques for nanostructures