Search
Now showing items 1-10 of 40
Water Adsorption on the β-Dicalcium Silicate Surface from DFT Simulations
(MDPI, 2018-09-04)
beta-dicalcium silicate (beta-Ca2SiO4 or beta-C2S in cement chemistry notation) is one of the most important minerals in cement. An improvement of its hydration rate would be the key point for developing environmentally-friendly ...
Large magnetoelectric coupling in multiferroic oxide heterostructures assembled via epitaxial lift-off
(Nature, 2020-06-24)
Epitaxial films may be released from growth substrates and transferred to structurally and chemically incompatible substrates, but epitaxial films of transition metal perovskite oxides have not been transferred to electroactive ...
KIMERA: A Kinetic Montecarlo Code for Mineral Dissolution
(MDPI, 2020-09-18)
KIMERA is a scientific tool for the study of mineral dissolution. It implements a reversible Kinetic Monte Carlo (KMC) method to study the time evolution of a dissolving system, obtaining the dissolution rate and information ...
Helmholtz Fermi surface harmonics: an efficient approach for treating anisotropic problems involving Fermi surface integrals
(IOP Publishing, 2014-06-09)
We present a new efficient numerical approach for representing anisotropic physical quantities and/or matrix elements defined on the Fermi surface (FS) of metallic materials. The method introduces a set of numerically ...
Fragile Phases as Affine Monoids: Classification and Material Examples
(American Physical Society, 2020-07-01)
Topological phases in electronic structures contain a new type of topology, called fragile, which can arise, for example, when an elementary band representation (atomic limit band) splits into a particular set of bands. ...
Long-living carriers in a strong electron-phonon interacting two-dimensional doped semiconductor
(Nature Publishing Group, 2019-07-15)
Carrier doping by the electric field effect has emerged as an ideal route for monitoring many-body physics in two-dimensional materials where the Fermi level is tuned so that the strength of the interactions can also be ...
High temperature internal friction in a Ti–46Al–1Mo–0.2Si intermetallic, comparison with creep behaviour
(Elsevier, 2016-01-15)
Advanced gamma-TiAl based intermetallics Mo-bearing have been developed to obtain the fine-grained microstructure required for superplastic deformation to be used during further processing. In the present work we have ...
Stress-assisted atomic diffusion in metastable austenite D03 phase of Cu-Al-Be shape memory alloys
(Pergamon-Elsevier, 2016-11)
Cu-Al-based shape memory alloys are firm candidates to be used up to 473 K. The main limiting aspect is the activation of diffusion processes in the metastable austenite phase, which drive the alloy decomposition. In the ...
Universal Scaling Law for the Size Effect on Superelasticity at the Nanoscale Promotes the Use of Shape‐Memory Alloys in Stretchable Devices
(Wiley, 2020-02)
Shape-memory alloys (SMAs) are the most stretchable metallic materials thanks to their superelastic behavior associated with the stress-induced martensitic transformation. This property makes SMAs of potential interest for ...
The Influence of Thermal History on the Multistage Transformation of NiTi Shape-Memory Alloys
(MDPI, 2018-04)
The multistage martensitic phase transformation of a polycrystalline NiTi shape-memory alloy (50.3 at. %Ni-49.7 at. % Ti) has been studied by means of calorimetric measurements. After a conventional thermal treatment ...