Purpose

Fiber networks represent a vast class of materials, which can be modeled by representing its microstructure using one-dimensional fiber embedded in three-dimensional space. Investigating the statics, dynamics and thermodynamics of such structures from computational first principles requires the efficient estimation of cohesive-repulsive energies and forces between interacting fiber segments. This study offers a fast, efficient and effective computational methodology to estimate such interactions which can be coupled with Hamiltonian mechanics to simulate the behavior of fibrous systems.

Design/methodology/approach

This method preserves the uniformly continuous distribution of particles on the line segments and utilizes adaptive numerical integration of relevant distance-distribution functions to estimate the effective interaction energy and forces.

Findings

This method is found to be cheaper to compute and more accurate than the corresponding discrete scheme. This scheme is also versatile in the sense that any pair-wise interaction model can be used.

Research limitations/implications

The scheme depends on the availability of a suitable pair-interaction potential, such as a Lennard-Jones potential or Morse potential. Additionally, it can only be used for systems which are purely fibrous in nature. For example, fiber composites with a non-fibrous matrix are not addressed.

Practical implications

Paper, woven and hair can be represented as purely fibrous at some relevant length scales and are thus excellent candidate systems for this scheme.

Originality/value

This paper presents a novel method which allows rapid and accurate implementation of an otherwise computationally expensive process.

中文翻译：

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快速准确地计算线性纤维段之间的相互作用

目的

纤维网络代表了一大类材料，可以通过使用嵌入三维空间的一维纤维来表示其微观结构来建模。从计算第一原理研究此类结构的静力学、动力学和热力学需要有效估计相互作用的纤维段之间的内聚-排斥能和力。这项研究提供了一种快速、高效和有效的计算方法来估计这种相互作用，可以结合哈密顿力学来模拟纤维系统的行为。

设计/方法/方法

该方法保持线段上粒子的均匀连续分布，并利用相关距离分布函数的自适应数值积分来估计有效相互作用能量和力。

发现

发现该方法比相应的离散方案计算成本更低且更准确。该方案在可以使用任何成对交互模型的意义上也是通用的。

研究限制/影响

该方案取决于合适的配对相互作用电位的可用性，例如 Lennard-Jones 电位或 Morse 电位。此外，它只能用于本质上是纯纤维的系统。例如，没有涉及具有非纤维基体的纤维复合材料。

实际影响

纸、编织物和头发在某些相关的长度尺度上可以表示为纯纤维，因此是该方案的极好候选系统。

原创性/价值

本文提出了一种新方法，该方法可以快速准确地实现计算成本高的过程。