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

DOI10.1016/J.MATCOM.2009.08.008zbMATH Open1191.82019OpenAlexW2033247386MaRDI QIDQ975009FDOQ975009

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

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zbMATH Keywords

diffusionstatistical mechanicsthermodynamicsfirst-principlesphase stability

Mathematics Subject Classification ID

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

Cites Work

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• EXPERIMENTS ON THE STABILITY OF SPIRAL FLOW BETWEEN ROTATING CYLINDERS
• The growth kinetics of individual ledges during solid-solid phase transformations

Cited In (1)

• Machine learning materials physics: integrable deep neural networks enable scale bridging by learning free energy functions

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