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Attention Score in Context
| Title |
Electronic structure, bonding characteristics, and mechanical properties in (W2/3Sc1/3)2AlC and (W2/3Y1/3)2AlC i-MAX phases from first-principles calculations
|
|---|---|
| Published in |
Journal of Physics: Condensed Matter, July 2018
|
| DOI | 10.1088/1361-648x/aacc19 |
| Pubmed ID | |
| Authors |
Martin Dahlqvist, Andreas Thore, Johanna Rosen |
| Abstract |
With the recent discovery of in-plane chemically ordered MAX phases (<i>i</i>-MAX) of the general formula (<i>M</i><sup>1</sup><sub>2/3</sub><i>M</i><sup>2</sup><sub>1/3</sub>)<sub>2</sub>AC comes addition of non-traditional MAX phase elements. In the present study, we use density functional theory calculations to investigate the electronic structure, bonding nature, and mechanical properties of the novel (W<sub>2/3</sub>Sc<sub>1/3</sub>)<sub>2</sub>AlC and (W<sub>2/3</sub>Y<sub>1/3</sub>)<sub>2</sub>AlC <i>i</i>-MAX phases. From analysis of the electronic structure and projected crystal orbital Hamilton populations (pCOHP), we show that the metallic <i>i</i>-MAX phases have significant hybridization between W and C, as well as Sc(Y) and C states, indicative of strong covalent bonding. Substitution of Sc for Y (<i>M</i><sup>2</sup>) leads to reduced bonding strength for W-C and Al-Al interactions while <i>M</i><sup>2</sup>-C and <i>M</i><sup>2</sup>-Al interactions are strengthened. We also compare the Voigt-Reuss-Hill (VRH) bulk, shear, and Young's moduli along the series of <i>M</i><sup>1</sup> = Cr, Mo, and W, and relate these trends to the bonding interactions. Furthermore, we find overall larger moduli for Sc-based <i>i</i>-MAX phases. |
X Demographics
The data shown below were collected from the profile of 1 X user who shared this research output. Click here to find out more about how the information was compiled.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Unknown | 1 | 100% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Members of the public | 1 | 100% |
Mendeley readers
The data shown below were compiled from readership statistics for 22 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Unknown | 22 | 100% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Student > Ph. D. Student | 5 | 23% |
| Researcher | 3 | 14% |
| Professor > Associate Professor | 2 | 9% |
| Student > Bachelor | 2 | 9% |
| Professor | 1 | 5% |
| Other | 1 | 5% |
| Unknown | 8 | 36% |
| Readers by discipline | Count | As % |
|---|---|---|
| Materials Science | 7 | 32% |
| Chemistry | 3 | 14% |
| Nursing and Health Professions | 1 | 5% |
| Medicine and Dentistry | 1 | 5% |
| Unknown | 10 | 45% |
Attention Score in Context
This research output has an Altmetric Attention Score of 1. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 03 July 2018.
All research outputs
#22,794,714
of 25,411,814 outputs
Outputs from Journal of Physics: Condensed Matter
#4,040
of 6,156 outputs
Outputs of similar age
#299,516
of 341,346 outputs
Outputs of similar age from Journal of Physics: Condensed Matter
#142
of 244 outputs
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So far Altmetric has tracked 6,156 research outputs from this source. They receive a mean Attention Score of 2.0. This one is in the 1st percentile – i.e., 1% of its peers scored the same or lower than it.
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We're also able to compare this research output to 244 others from the same source and published within six weeks on either side of this one. This one is in the 1st percentile – i.e., 1% of its contemporaries scored the same or lower than it.