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We report on a successful attempt to introduce Al2O3 and AlN nanoparticles in the matrix of a C/C composite via (i) aqueous synthesis of AlOOH nanoparticles in a predensified C/C composite preform, (ii) ceramization of AlOOH into either Al2O3 or AlN, and (iii) final pyrocarbon densification. We show that we were able to synthesize a uniform and thin layer of high aspect ratio (nanoneedle) AlOOH particles...
Detailed knowledge regarding the nature of and mechanisms causing neutron irradiation damage in graphite remains a scientific and technological challenge, particularly at high irradiation doses. Using electrons as a surrogate for neutron irradiation, we develop a time-dependent atomistic reconstruction strategy fed by a time series of high-resolution transmission electron microscopy (HRTEM) images,...
The elastic properties of graphene as described by the reactive empirical bond order potential are studied through uniaxial tensile tests calculations at both zero temperature, with a conjugate gradient approach, and room temperature, with molecular dynamics simulations. A perfect linear elastic behavior is observed at 0K up to ≈0.1% strain. The Young’s modulus and Poisson’s ratio obtained with this...
We present a microstructural investigation of two different pyrocarbons (PyCs), belonging respectively to the rough laminar (RL) and smooth laminar (SL) families. The structure of the materials is analyzed in terms of their pair distribution functions (PDFs) as determined from neutron diffraction experiments. The data are correlated with polarized light optical microscopy, high resolution transmission...
The formation of the hydration shell of chloride ion at room temperature and at a polar stratosphere temperature has been studied by Monte Carlo simulations. Gibbs free energy, entropy and formation work of Cl − (H 2 O) n , n=1,…,23 clusters are calculated via the bicanonical ensemble method. Pair distribution functions are calculated in n=70,500 systems. A combined model has...
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