332 citations · 700 across the 20 of their papers we have counts for
5 papers · 1 filter
Thermoelectric transport trends in group 4 half-Heusler alloys
Kristian Berland, Nina Shulumba, Olle Hellman +2
The thermoelectric properties of 54 different group 4 half-Heusler (HH) alloys have been studied from first principles. Electronic transport was studied with density functional the…
Investigation of the electrostatic potential of a grain boundary in Y-substituted BaZrO3 using inline electron holography
Tarjei Bondevik, Heine Ness, Calliope Bazioti +4
We apply inline electron holography to investigate the electrostatic potential across an individual BaZr0.9Y0.1O3 grain boundary. With holography, we measure a grain boundary poten…
Calculation of the Anisotropic Coefficients of Thermal Expansion: A First-Principles Approach
Nicholas A. Pike, Ole M. Løvvik
Predictions of the anisotropic coefficients of thermal expansion are needed to not only compare to experimental measurement, but also as input for macroscopic modeling of devices w…
Determining the Optimal Phase-Change Material via High-Throughput Calculations
Nicholas A. Pike, Amina Matt, Ole M. Løvvik
The discovery and optimization of phase-change and shape memory alloys remain a tedious and expensive process. Here a simple computational method is proposed to determine the ideal…
Machine Learning for Novel Thermal-Materials Discovery: Early Successes, Opportunities, and Challenges
Hang Zhang, Kedar Hippalgaonkar, Tonio Buonassisi +3
High-throughput computational and experimental design of materials aided by machine learning have become an increasingly important field in material science. This area of research…