arXiv subjects

Eduardo Machado-Charry

Publications and source records attributed to Eduardo Machado-Charry.

5 recordsLinked to original sources

arXiv2026

Spherical Balls Settling Through a Quiescent Cement Paste Measured by X-ray Tomography: Influence of the Paste Thixotropy

The settling of spherical balls in quiescent cement pastes of increasing age is studied. Metallic spheres with radii of 2, 2.5 and 3mm are dropped into the paste and allowed to settle, while their position is tracked using X-ray tomography. The instantaneous velocity of the spheres, calculated from their movement, is observed to be quasi-constant during their fall, and an average is estimated. The results show that the average velocity of the balls decreases logarithmically with paste age until ball stoppage, for all three ball sizes. In parallel, the rheological properties of the cement paste are measured using a rheometer with a vane geometry. The evolution of the paste static yield stress over time is evaluated, and proves to be a reliable predictor for ball stoppage. Finally, thixotropic models of increasing complexity are evaluated. These models consider four forms of structural growth and breakdown parameters, and their ability to capture the ball settling velocity as a function of paste age is compared. This emphasizes the importance of considering paste breakdown in relation to shearing of the paste when the ball passes through it.

cond-mat.soft↗

arXiv2016

Revisiting the domain model for lithium intercalated graphite

In this letter, we study the stability of the domain model for lithium intercalated graphite in stages III and II by means of Density Functional Theory and Kinetic Lattice Monte Carlo simulations. We find that the domain model is either thermodynamically or kinetically stable when compared to the standard model in stages III and II. The existence of domains in the intercalation sequence is well supported by recent high resolution transmission electron microscope observations in lithiated graphite. Moreover, we predict that such domain staging sequences leads to a wide range of diffusivity as reported in experiments.

cond-mat.mtrl-sci↗

arXiv2015

Degenerate epitaxy-driven defects in monolayer silicon oxide onto ruthenium

The structure of the ultimately-thin crystalline allotrope of silicon oxide, prepared onto a ruthenium surface, is unveiled down to atomic scale with chemical sensitivity, thanks to high resolution scanning tunneling microscopy and first principle calculations. An ordered oxygen lattice is imaged which coexists with the two-dimensional monolayer oxide. This coexistence signals a displacive transformation from an oxygen reconstructed-Ru(0001) to silicon oxide, along which latterally-shifted domains form, each with equivalent and degenerate epitaxial relationships with the substrate. The unavoidable character of defects at boundaries between these domains appeals for the development of alternative methods capable of producing single-crystalline two-dimensional oxides.

cond-mat.mtrl-sci↗

arXiv2014

Strain effect and intermixing at the Si surface: A hybrid quantum and molecular mechanics study

We investigate Ge mixing at the Si(001) surface and characterize the $2\times N$ Si(001) reconstruction by means of hybrid quantum and molecular mechanics calculations (QM/MM). Avoiding fake elastic dampening, this scheme allows to correctly take into account long range deformation induced by reconstruted and defective surfaces. We focus in particular on the dimer vacancy line (DVL) and its interaction with Ge adatoms. We first show that calculated formation energies for these defects are highly dependent on the choice of chemical potential and that the latter must be chosen carefully. Characterizing the effect of the DVL on the deformation field, we also find that the DVL favors Ge segregation in the fourth layer close to the DVL. Using the activation-relaxation technique (ART nouveau) and QM/MM, we show that a complex diffusion path permits the substitution of the Ge atom in the fourth layer, with barriers compatible with mixing observed at intermediate temperature.

cond-mat.mtrl-sci↗

arXiv2012

Tunable magnetic states in h-BN sheets

Magnetism in 2D atomic sheets has attracted considerable interest as its existence could allow the development of electronic and spintronic devices. The existence of magnetism is not sufficient for devices, however, as states must be addressable and modifiable through the application of an external drive. We show that defects in hexagonal boron nitride present a strong interplay between the the N-N distance in the edge and the magnetic moments of the defects. By stress-induced geometry modifications, we change the ground state magnetic moment of the defects. This control is made possible by the triangular shape of the defects as well as the strong spin localisation in the magnetic state.

cond-mat.mtrl-sci↗