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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 ...
The aperiodic nature of mullite
(2018-11-30)
Different methods were applied to investigate the vacancy and Al/Si order in mullite. At first the symmetry was analysed thoroughly to derive constraints on the vacancy distribution based on crystal chemical premises. On ...
Ti-Al intermetallics for aerospace applications: atomic relaxation processes,microstructure and mechanical properties at high temperature.
(2018-05-04)
El presente trabajo de investigación se encuadra en la línea de "Materiales Intermetálicos para Altas Temperaturas" que se desarrolla en el Grupo de investigación en MetalurgiaFísica (GIMF) de los Dptos de Física de la ...
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 ...
Atomistic Simulations of Geopolymer Models: The Impact of Disorder on Structure and Mechanics
(ACS, 2018-06-13)
Geopolymers are hydrated aluminosilicates with excellent binding properties. Geopolymers appeal to the construction sector as a more sustainable alternative to traditional cements, but their exploitation is limited by a ...