Linking the electronic structure of solids to their thermodynamic and kinetic properties

DOI10.1016/J.MATCOM.2009.08.008MaRDI QIDQ975009zbMATH OpenOpenAlexFDO

Authors B. E. Eshmatov

Publication date 8 June 2010

Published in Mathematics and Computers in Simulation (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.matcom.2009.08.008

zbMATH Keywords

diffusionstatistical mechanicsthermodynamicsfirst-principlesphase stability

Mathematics Subject Classification ID

Statistical thermodynamics (82B30) Statistical mechanics of crystals (82D25)

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Cites work

• scientific article; zbMATH DE number 5278506 (Why is no real title available?)
• scientific article; zbMATH DE number 6818310 (Why is no real title available?)
• scientific article; zbMATH DE number 3196991 (Why is no real title available?)
• EXPERIMENTS ON THE STABILITY OF SPIRAL FLOW BETWEEN ROTATING CYLINDERS
• The growth kinetics of individual ledges during solid-solid phase transformations

Cited in

(2)

• Machine learning materials physics: integrable deep neural networks enable scale bridging by learning free energy functions
• Disordered crystals from first principles. I: Quantifying the configuration space

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