July 17, 2023
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Fine-tuning of colloidal polymer crystals by molecular simulation

Publicated to: PHYSICAL REVIEW E. 107 (6): 64605- - 2023-06-21 107(6), DOI: 10.1103/PhysRevE.107.064605

Authors:

Herranz, Miguel; Pedrosa, Clara; Martinez-Fernandez, Daniel; Foteinopoulou, Katerina; Karayiannis, Nikos Ch; Laso, Manuel
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Affiliations

Univ Politecn Madrid UPM, Inst Optoelect Syst & Microtechnol ISOM, C Jose Gutierrez Abascal 2, Madrid 28006, Spain Univ Politecn Madrid UPM, Escuela Tecn Super Ingn Ind ETSII, C Jose Gutierrez Abascal 2, Madrid 28006, Spain - Author
Universidad Politécnica de Madrid - Author

Abstract

Through extensive molecular simulations we determine a phase diagram of attractive, fully flexible polymer chains in two and three dimensions. A rich collection of distinct crystal morphologies appear, which can be finely tuned through the range of attraction. In three dimensions these include the face-centered cubic, hexagonal close packed, simple hexagonal, and body-centered cubic crystals and the Frank-Kasper phase. In two dimensions the dominant structures are the triangular and square crystals. A simple geometric model is proposed, based on the concept of cumulative neighbors of ideal crystals, which can accurately predict most of the observed structures and the corresponding transitions. The attraction range can thus be considered as an adjustable parameter for the design of colloidal polymer crystals with tailored morphologies.
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Keywords

crystallizationdynamicsfrank-kasperpatchy particlesphasesrandom packingEntropy difference

Quality index

Bibliometric impact. Analysis of the contribution and dissemination channel

The work has been published in the journal PHYSICAL REVIEW E due to its progression and the good impact it has achieved in recent years, according to the agency WoS (JCR), it has become a reference in its field. In the year of publication of the work, 2023, it was in position 12/60, thus managing to position itself as a Q1 (Primer Cuartil), in the category Physics, Mathematical.

Independientemente del impacto esperado determinado por el canal de difusión, es importante destacar el impacto real observado de la propia aportación.

Según las diferentes agencias de indexación, el número de citas acumuladas por esta publicación hasta la fecha 2026-04-27:

  • Google Scholar: 4
  • WoS: 2
  • Scopus: 2
  • Europe PMC: 1
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Impact and social visibility

From the perspective of influence or social adoption, and based on metrics associated with mentions and interactions provided by agencies specializing in calculating the so-called "Alternative or Social Metrics," we can highlight as of 2026-04-27:

  • The use, from an academic perspective evidenced by the Altmetric agency indicator referring to aggregations made by the personal bibliographic manager Mendeley, gives us a total of: 1.
  • The use of this contribution in bookmarks, code forks, additions to favorite lists for recurrent reading, as well as general views, indicates that someone is using the publication as a basis for their current work. This may be a notable indicator of future more formal and academic citations. This claim is supported by the result of the "Capture" indicator, which yields a total of: 2 (PlumX).

With a more dissemination-oriented intent and targeting more general audiences, we can observe other more global scores such as:

  • The Total Score from Altmetric: 2.
  • The number of mentions on the social network X (formerly Twitter): 3 (Altmetric).

It is essential to present evidence supporting full alignment with institutional principles and guidelines on Open Science and the Conservation and Dissemination of Intellectual Heritage. A clear example of this is:

  • Assignment of a Handle/URN as an identifier within the deposit in the Institutional Repository: https://oa.upm.es/93104/

As a result of the publication of the work in the institutional repository, statistical usage data has been obtained that reflects its impact. In terms of dissemination, we can state that, as of

  • Views: 35
  • Downloads: 29
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Leadership analysis of institutional authors

There is a significant leadership presence as some of the institution’s authors appear as the first or last signer, detailed as follows: First Author (HERRANZ FEITO, MIGUEL) and Last Author (LASO CARBAJO, MANUEL).

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