| 1. |
- Edin, Emil, et al.
(author)
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First principles study of C diffusion in WC/W interfaces observed in WC/Co tools after Ti-alloy machining
- 2019
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In: Computational materials science. - : ELSEVIER SCIENCE BV. - 0927-0256 .- 1879-0801. ; 161, s. 236-243
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Journal article (peer-reviewed)abstract
- Ti-alloys have many qualities making them ideal for use in aerospace applications, medical implants and chemical industries such as high strength to weight ratio, good high temperature strength and chemical stability. One downside to Ti-alloys is, however, that they are considered difficult to machine. Several investigations have been made in order to understand the wear mechanisms present in machining of Ti-alloys and the most common understanding is a combination of attrition and dissolution-diffusion. Observations by Odelros et al. [1] have shown that there exists a small layer of pure bcc W on top of the outermost WC grains after turning of Ti-6Al-4V. In order for such a layer to form C has to diffuse away from the WC leaving behind only W. In this work Density Functional Theory (DFT) is used together with Harmonic Transition State Theory (HTST) to investigate the prefactors and barriers for C diffusion into and within two different WC/W interfaces, [0001]/[111] and [10 (1) over bar0]/[100]. The diffusion into the interfaces show that the barrier for the [0001]/[111] interface is more than twice as high as the barrier for the [10 (1) over bar0]/[100] interface. Diffusion within the interfaces show, on average, slightly higher barriers for the [0001]/[111] interface.
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| 2. |
- Edin, Emil, et al.
(author)
-
MD study of C diffusion in WC/W interfaces observed in cemented carbides
- 2019
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In: International journal of refractory metals & hard materials. - : ELSEVIER SCI LTD. - 0263-4368. ; 85
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Journal article (peer-reviewed)abstract
- WC/Co tool used in the turning of Ti-alloys are subject to rapid crater wear due to chemical processes at the tool chip interface in the form of dissolution/diffusion. It has been observed that a thin layer of bcc W forms on the outermost WC grains in contact with the Ti workpiece meaning that C has diffused away from the WC. The rates involved in this process are of interest for formulating a theory of how wear progresses during turning of Ti-alloys. In this work we investigate the rates involved in this diffusion process by means of classical MD simulations on 6 different WC/W interfaces, 3 with a basal WC surface and 3 with a prismatic WC surface, as a function of C depletion in the outermost WC layer. The results show that all interfaces are stable and that principally no diffusion events of C occur at temperatures below 1373 K for C depletion levels below 30 at.%. At 50 at.% depletion, C diffusion starts occurring regularly and at 70 at.% depletion and above the majority of the C atoms are diffusing except at the lowest temperatures. Additionally, any difference in diffusion rate observed between the basal and prismatic interfaces in their pristine states have vanished at the point of 50 at.% depletion. This all points to a process which is initially slow for each layer of the WC but which increases in speed substantially as C atoms are removed.
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