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20022015
most citedPhase diagram of Pb(Zr,Ti)O3 solid solutions from first principles

215 citations

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cond-mat.stat-mech2007★ 88 cited

Thermodiffusion in model nanofluids by molecular dynamics simulations

Guillaume Galliéro, S. Volz

In this work, a new algorithm is proposed to compute single particle (infinite dilution) thermodiffusion using Non-Equilibrium Molecular Dynamics simulations through the estimation…