default author photo

Eduardo Duque

University of the Basque Country

Barrio Sarriena s/n

Leioa, 48940

Spain

SCHOLARLY PAPERS

6

DOWNLOADS

371

TOTAL CITATIONS

3

Scholarly Papers (6)

1.

Pycsh: Automated Atomic-Level Structure Generation of Bulk C-S-H and Investigation of Their Intrinsic Properties

Number of pages: 27 Posted: 23 Feb 2024
Princeton University, University of the Basque Country, University of the Basque Country, University of the Basque Country, Indian Institute of Technology (IIT), Madras, École Polytechnique Fédérale de Lausanne (EPFL) and École Polytechnique Fédérale de Lausanne (EPFL) - Laboratory of Construction Materials
Downloads 118 (604,538)
Citation 3

Abstract:

Loading...

Calcium silicate hydrate, Brick Model, Automated Structure Generation, pyCSH Code

2.

Influence of seawater ions on nanoscale cohesion and mechanical properties of calcium silicate hydrate (C-S-H)

Number of pages: 25 Posted: 02 Sep 2025
Department of Civil and Environmental Engineering, The Hong Kong Polytechnic University, University of the Basque Country, University of the Basque Country, Jinan University, Department of Civil and Environmental Engineering, The Hong Kong Polytechnic University and City University of Hong Kong (CityU)
Downloads 79 (830,555)

Abstract:

Loading...

Molecular dynamics, Calcium silicate hydrate, Mechanical properties, Shear strength, Seawater ions

Desorption of Water from Aqueous Solution Confined in C-S-H Gel Pore: A Molecular Dynamics Study

Number of pages: 31 Posted: 25 Feb 2025
Department of Civil and Environmental Engineering, The Hong Kong Polytechnic University, University of the Basque Country, Jinan University, University of the Basque Country, Department of Civil and Environmental Engineering, The Hong Kong Polytechnic University, Hong Kong Polytechnic University and City University of Hong Kong (CityU)
Downloads 37 (1,267,060)

Abstract:

Loading...

Molecular dynamics, C-S-H gel, Water desorption, Confined NaCl solution, Concrete durability

Desorption of Water from Aqueous Solution Confined in C-S-H Gel Pore: A Molecular Dynamics Study

Number of pages: 31 Posted: 21 Apr 2025
Department of Civil and Environmental Engineering, The Hong Kong Polytechnic University, University of the Basque Country, Jinan University, University of the Basque Country, Department of Civil and Environmental Engineering, The Hong Kong Polytechnic University, Hong Kong Polytechnic University and City University of Hong Kong (CityU)
Downloads 27 (1,415,710)

Abstract:

Loading...

molecular dynamics, C-S-H gel, Water desorption, Confined NaCl solution, Concrete durability

4.

Mechanistic Insights into Calcium-Silicate-Hydrate Nucleation From Molecular Dynamics Simulations

Number of pages: 14 Posted: 28 Jan 2025
University of the Basque Country, University of the Basque Country, University of the Basque Country, Southeast University, University of the Basque Country, University of the Basque Country and University of the Basque Country
Downloads 56 (1,000,027)

Abstract:

Loading...

C-S-H formation, Nucleation, Molecular dynamics, Primary particles, Pre-nucleation clusters

5.

Modification of the Calcium Silicate Hydrate's DNA to Enhance its Mechanical Properties by Different Interactions with Aptes Compound

Number of pages: 44 Posted: 15 Mar 2024
affiliation not provided to SSRN, University of the Basque Country, University of the Basque Country, University of the Basque Country and University of California, Berkeley - Department of Civil and Environmental Engineering
Downloads 47 (1,121,190)

Abstract:

Loading...

Calcium silicate hydrate, 3-aminopropyltriethoxysilane, Nano-hybrid C-S-H/APTES, High-pressure X-ray diffraction, Molecular dynamics.

6.

Insights into the Atomic-Scale Structural Disorder in Low-Kaolinite HeterogenousNatural Clays under Combined Thermo-Mechanochemical Activation

Number of pages: 20 Posted: 24 Jun 2026
Chalmers University of Technology, University of the Basque Country, University of the Basque Country, University of the Basque Country, Department of Architecture and Civil Engineering, Chalmers University of Technology, Umeå University and Chalmers University of Technology
Downloads 7

Abstract:

Loading...

Thermo-mechanochemical activation, Natural clays, 27Al/29Si MAS NMR, FTIR, Reactivity, C-(A)-S-H.