Continuum thermo-mechanical surrogate modeling of frictional contact at atomic length scales
原子长度尺度摩擦接触的连续热机械替代模型
基本信息
- 批准号:317743319
- 负责人:
- 金额:--
- 依托单位:
- 依托单位国家:德国
- 项目类别:Research Grants
- 财政年份:2016
- 资助国家:德国
- 起止时间:2015-12-31 至 2022-12-31
- 项目状态:已结题
- 来源:
- 关键词:
项目摘要
We propose to develop a computational multiscale methodology for the systematic determination of continuum thermo-mechanical friction models based on the underlying atomistic contact behavior. The work is motivated by a demand for effective continuum friction models that are computationally efficient and simple to scale up, yet still based directly and exclusively on the underlying atomistic contact behavior. Our particular focus is on sliding contact between two solid bodies, onehard and one soft, where an interfacial medium such as water can also bepresent. Our approach is an extension of an existing multiscale methodology developed jointly by our research groups, which uses molecular dynamics (MD) simulations to develop the constitutive models needed for finite-element contact models of interfacial systems, including multicomponent systems such as self-assembled monolayers and thin films. This existing methodology allows for a systematic, bottom-up determination of continuum models that can accurately predict the normal contact behavior of the original molecular model. The work proposed here will extend the methodology by incorporating thermal effects to properly characterize the tangential contact behavior during frictional sliding. The methodology involves setting up and running a series of "virtual experiments" with MD simulations as well as extracting appropriate mechanical and thermal variables needed for the information transfer to the continuum level. Based on those experiments, suitable continuum models are formulated, implemented and validated against the molecular behavior in a set of benchmark cases. We restrict ourselves here to contact between polymeric and crystalline solids, considering only the contact behavior (but not the bulk behavior) to be dissipative. The methodology itself, however, will be formulated in general terms to readily admit other material pairings.
我们建议开发一个计算的多尺度方法,系统地确定连续的热机械摩擦模型的基础上的原子接触行为。这项工作的动机是需要有效的连续摩擦模型,计算效率高,简单的规模,但仍然直接和专门基于底层原子的接触行为。我们特别关注的是两个固体之间的滑动接触,一个硬的和一个软的,其中也可以存在界面介质,如水。我们的方法是一个现有的多尺度方法,我们的研究小组,它使用分子动力学(MD)模拟开发的有限元接触模型的界面系统,包括多组分系统,如自组装单层和薄膜所需的本构模型共同开发的扩展。这种现有的方法允许一个系统的,自下而上的连续模型,可以准确地预测原始分子模型的正常接触行为的确定。这里提出的工作将通过将热效应适当地表征摩擦滑动过程中的切向接触行为来扩展该方法。该方法包括建立和运行一系列的“虚拟实验”与MD模拟,以及提取适当的机械和热变量所需的信息转移到连续水平。基于这些实验,合适的连续模型制定,实施和验证的分子行为在一组基准情况下。这里我们仅限于聚合物和结晶固体之间的接触,只考虑接触行为(而不是本体行为)是耗散的。然而,方法本身将概括地表述,以便于接纳其他材料配对。
项目成果
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Professor Dr.-Ing. Mikhail Itskov, since 11/2019其他文献
Professor Dr.-Ing. Mikhail Itskov, since 11/2019的其他文献
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