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Thermomechanical Stability of Carbyne-Based Nanodevices

机译:基于卡宾的纳米器件的热机械稳定性

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摘要

An approach is developed to predict stability of carbyne-based nanodevices. Within this approach, the thermo-fluctuation model of instability and break of contact bond in nanodevices, containing carbyne chains and graphene sheets, is offered. Unlike the conventional models, it does not include empirical constants. The results of DFT calculations are used as initial data for this model. Possibility of synergistic effect of temperature and mechanical load on stability and value of service time of carbyne-based nanodevices is predicted. It is ascertained, that this synergism results in a significant (by many orders of magnitude) decrease in the lifetime of nanodevices containing carbyne chains. The atomic mechanism of this phenomenon is outlined. Conditions of thermo-force loading are predicted at which a service time of these devices is sufficient for applications.
机译:开发了一种预测基于碳炔的纳米器件的稳定性的方法。在这种方法中,提供了包含碳炔链和石墨烯片的纳米器件中不稳定和接触键断裂的热波动模型。与常规模型不同,它不包含经验常数。 DFT计算的结果用作该模型的初始数据。预测了温度和机械负载协同作用对基于碳炔的纳米器件的稳定性和使用寿命的可能性。可以确定的是,这种协同作用导致包含碳炔链的纳米器件的寿命显着(许多数量级)降低。概述了这种现象的原子机理。预测了热负荷的条件,在这些条件下这些设备的服务时间足以满足应用要求。

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