Tags: bulk

Online Presentations (1-2 of 2)

  1. IMA 2013 UQ: DFT-based Thermal Properties: Three Levels of Error Management

    02 Apr 2014 | | Contributor(s):: Kurt Lejaeghere

    It is often computationally expensive to predict finite-temperature properties of a crystal from density-functional theory (DFT). The temperature-dependent thermal expansion coefficient α, for example, is calculated from the phonon spectrum, and the melting temperature Tm can only be obtained...

  2. ECE 695A Lecture 6: Defects in the Bulk and at Interfaces

    01 Feb 2013 | | Contributor(s):: Muhammad Alam

    Outline:Strain in materials/origin of defectsExamples: bulk defectsExamples: interface defectsMeasurementsConclusions