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20122026
most citedNecessary and Sufficient Elastic Stability Conditions in Various Crystal Systems

5k citations

Showing physics.chem-phShow all

6 papers · 1 filter

physics.chem-ph2021★ 11 cited

Continuous wave laser thermal restoration of oxidized lead-based pigments in mural paintings

Théa de Seauve, Vincent Detalle, Alexandre Semerok +5

Red lead and lead white are some of the most ancient and common pigments in mural paintings. However, they tend to blacken with time due to their oxidation to plattnerite (\b{eta}-…

physics.chem-ph2020★ 7 cited

Advanced protection against environmental degradation of silver mirror stacks for space application

Rajendra Kurapati, Vincent Maurice, Antoine Seyeux +6

Protection of silver mirror stacks from environmental degradation before launching is crucial for space applications. Hereby, we report a comparative study of the advanced protecti…

physics.chem-ph2018★ 58 cited

On the use of the IAST method for gas separation studies in porous materials with gate-opening behavior

Guillaume Fraux, Anne Boutin, Alain H. Fuchs +1

Highly flexible nanoporous materials, exhibiting for instance gate opening or breathing behavior, are often presented as candidates for separation processes due to their supposed h…

physics.chem-ph2018★ 41 cited

Recent advances in the computational chemistry of soft porous crystals

Guillaume Fraux, François-Xavier Coudert

Here we highlight recent progress in the field of computational chemistry of nanoporous materials, focusing on methods and studies that address the extraordinary dynamic nature of…

physics.chem-ph2017★ 12 cited

Contribution of cellular automata to the understanding of corrosion phenomena

M. Zenkri, D. di Caprio, C. Pérez-Brokate +5

We present a stochastic CA modelling approach of corrosion based on spatially separated electrochemical half-reactions, diffusion, acido-basic neutralization in solution and passiv…

physics.chem-ph2015★ 44 cited

Insight into the LiCO-KCO eutectic mixture from classical molecular dynamics: thermodynamics, structure and dynamics

Dario Corradini, François-Xavier Coudert, Rodolphe Vuilleumier

In this work, we use molecular dynamics simulations to study the thermodynamics, structure and dynamics of the LiCO-KCO (62:38 mol%) eutectic mixture. We present a…