Publisher DOI: 10.1021/acsami.7b01237
arXiv ID: 1704.04384v1
Title: Thermostat Influence on the Structural Development and Material Removal during Abrasion of Nanocrystalline Ferrite
Language: English
Authors: Eder, Stefan J. 
Cihak-Bayr, Ulrike 
Bianchi, Davide 
Feldbauer, Gregor  
Betz, Gerhard 
Keywords: abrasive wear;electron-phonon coupling;heat conductivity;molecular dynamics;nanomachining;polycrystal;thermostat
Issue Date: 3-Apr-2017
Publisher: American Chemical Society
Source: ACS Applied Materials & Interfaces 9 (15), 13713-13725 ( 2017)
Journal: ACS applied materials & interfaces 
Abstract (english): 
We consider a nanomachining process of hard, abrasive particles grinding on the rough surface of a polycrystalline ferritic work piece. Using extensive large-scale molecular dynamics (MD) simulations, we show that the mode of thermostatting, i.e., the way that the heat generated through deformation and friction is removed from the system, has crucial impact on tribological and materials related phenomena. By adopting an electron-phonon coupling approach to parametrize the thermostat of the system, thus including the electronic contribution to the thermal conductivity of iron, we can reproduce the experimentally measured values that yield realistic temperature gradients in the work piece. We compare these results to those obtained by assuming the two extreme cases of only phononic heat conduction and instantaneous removal of the heat generated in the machining interface. Our discussion of the differences between these three cases reveals that although the average shear stress is virtually temperature independent up to a normal pressure of approximately 1 GPa, the grain and chip morphology as well as most relevant quantities depend heavily on the mode of thermostatting beyond a normal pressure of 0.4 GPa. These pronounced differences can be explained by the thermally activated processes that guide the reaction of the Fe lattice to the external mechanical and thermal loads caused by nanomachining.
ISSN: 1944-8244
Institute: Keramische Hochleistungswerkstoffe M-9 
Document Type: Article
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