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Mendeley readers
Attention Score in Context
| Title |
Highly Efficient Free Energy Calculations of the Fe Equation of State Using Temperature-Dependent Effective Potential Method
|
|---|---|
| Published in |
Journal of Physical Chemistry A, October 2016
|
| DOI | 10.1021/acs.jpca.6b08633 |
| Pubmed ID | |
| Authors |
Igor Mosyagin, Olle Hellman, Weine Olovsson, Sergei I. Simak, Igor A. Abrikosov |
| Abstract |
Free energy calculations at finite temperature based on ab initio molecular dynamics (AIMD) simulations have become possible, but they are still highly computationally demanding. Besides, achieving simultaneously high accuracy of the calculated results and efficiency of the computational algorithm is still a challenge. In this work we describe an efficient algorithm to determine accurate free energies of solids in simulations using recently proposed temperature-dependent effective potential method (TDEP). We provide a detailed analysis of numerical approximations employed in the TDEP algorithm. We show that for a model system considered in this work, hcp Fe, the obtained thermal equation of state at 2000 K is in excellent agreement with the results of standard calculations within the quasiharmonic approximation. |
X Demographics
The data shown below were collected from the profiles of 2 X users who shared this research output. Click here to find out more about how the information was compiled.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Unknown | 2 | 100% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Scientists | 1 | 50% |
| Members of the public | 1 | 50% |
Mendeley readers
The data shown below were compiled from readership statistics for 23 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Unknown | 23 | 100% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Student > Ph. D. Student | 7 | 30% |
| Researcher | 5 | 22% |
| Professor | 2 | 9% |
| Professor > Associate Professor | 2 | 9% |
| Student > Master | 2 | 9% |
| Other | 1 | 4% |
| Unknown | 4 | 17% |
| Readers by discipline | Count | As % |
|---|---|---|
| Physics and Astronomy | 6 | 26% |
| Materials Science | 5 | 22% |
| Chemistry | 3 | 13% |
| Agricultural and Biological Sciences | 1 | 4% |
| Sports and Recreations | 1 | 4% |
| Other | 0 | 0% |
| Unknown | 7 | 30% |
Attention Score in Context
This research output has an Altmetric Attention Score of 2. 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 01 November 2016.
All research outputs
#17,236,655
of 25,377,790 outputs
Outputs from Journal of Physical Chemistry A
#4,504
of 10,495 outputs
Outputs of similar age
#208,630
of 323,814 outputs
Outputs of similar age from Journal of Physical Chemistry A
#40
of 196 outputs
Altmetric has tracked 25,377,790 research outputs across all sources so far. This one is in the 31st percentile – i.e., 31% of other outputs scored the same or lower than it.
So far Altmetric has tracked 10,495 research outputs from this source. They receive a mean Attention Score of 2.4. This one has gotten more attention than average, scoring higher than 56% of its peers.
Older research outputs will score higher simply because they've had more time to accumulate mentions. To account for age we can compare this Altmetric Attention Score to the 323,814 tracked outputs that were published within six weeks on either side of this one in any source. This one is in the 35th percentile – i.e., 35% of its contemporaries scored the same or lower than it.
We're also able to compare this research output to 196 others from the same source and published within six weeks on either side of this one. This one has done well, scoring higher than 78% of its contemporaries.