Matches in SemOpenAlex for { <https://semopenalex.org/work/W1963663373> ?p ?o ?g. }
- W1963663373 abstract "The quasi-harmonic Debye approximation has been implemented within the AFLOW and Materials Project frameworks for high-throughput computational science (Automatic Gibbs Library, AGL), in order to calculate thermal properties such as the Debye temperature and the thermal conductivity of materials. We demonstrate that the AGL method, which is significantly cheaper computationally compared to the fully ab initio approach, can reliably predict the ordinal ranking of the thermal conductivity for several different classes of semiconductor materials. We also find that for the set of 182 materials investigated in this work the Debye temperature, calculated with the AGL, is often a better predictor of the ordinal ranking of the experimental thermal conductivities than the calculated thermal conductivity. The Debye temperature is thus a potential descriptor for high-throughput screening of the thermal properties of materials." @default.
- W1963663373 created "2016-06-24" @default.
- W1963663373 creator A5002112527 @default.
- W1963663373 creator A5006314784 @default.
- W1963663373 creator A5012206702 @default.
- W1963663373 creator A5030687759 @default.
- W1963663373 creator A5036265708 @default.
- W1963663373 creator A5058912530 @default.
- W1963663373 creator A5078442867 @default.
- W1963663373 date "2014-11-12" @default.
- W1963663373 modified "2023-10-13" @default.
- W1963663373 title "High-throughput computational screening of thermal conductivity, Debye temperature, and Grüneisen parameter using a quasiharmonic Debye model" @default.
- W1963663373 cites W1623381495 @default.
- W1963663373 cites W1668732012 @default.
- W1963663373 cites W1703961316 @default.
- W1963663373 cites W1967184548 @default.
- W1963663373 cites W1970127494 @default.
- W1963663373 cites W1975725806 @default.
- W1963663373 cites W1980327542 @default.
- W1963663373 cites W1981368803 @default.
- W1963663373 cites W1992985800 @default.
- W1963663373 cites W1995782085 @default.
- W1963663373 cites W1999316709 @default.
- W1963663373 cites W2000857547 @default.
- W1963663373 cites W2002764499 @default.
- W1963663373 cites W2002765649 @default.
- W1963663373 cites W2005748589 @default.
- W1963663373 cites W2011199252 @default.
- W1963663373 cites W2013609744 @default.
- W1963663373 cites W2015197254 @default.
- W1963663373 cites W2018763953 @default.
- W1963663373 cites W2023978863 @default.
- W1963663373 cites W2024816704 @default.
- W1963663373 cites W2024937420 @default.
- W1963663373 cites W2029741576 @default.
- W1963663373 cites W2032689948 @default.
- W1963663373 cites W2035346756 @default.
- W1963663373 cites W2036113194 @default.
- W1963663373 cites W2040294826 @default.
- W1963663373 cites W2041184303 @default.
- W1963663373 cites W2054759747 @default.
- W1963663373 cites W2061053358 @default.
- W1963663373 cites W2062970180 @default.
- W1963663373 cites W2065863127 @default.
- W1963663373 cites W2076598312 @default.
- W1963663373 cites W2079105963 @default.
- W1963663373 cites W2085068298 @default.
- W1963663373 cites W2089083530 @default.
- W1963663373 cites W2094136719 @default.
- W1963663373 cites W2094898233 @default.
- W1963663373 cites W2101788081 @default.
- W1963663373 cites W2117363206 @default.
- W1963663373 cites W2123306226 @default.
- W1963663373 cites W2134329894 @default.
- W1963663373 cites W2142707065 @default.
- W1963663373 cites W2149531031 @default.
- W1963663373 cites W2151034605 @default.
- W1963663373 cites W2151577126 @default.
- W1963663373 cites W2156056440 @default.
- W1963663373 cites W2156485711 @default.
- W1963663373 cites W2162591946 @default.
- W1963663373 cites W2162653998 @default.
- W1963663373 cites W2163140492 @default.
- W1963663373 cites W2167983878 @default.
- W1963663373 cites W2249983726 @default.
- W1963663373 cites W2315461735 @default.
- W1963663373 cites W2323246855 @default.
- W1963663373 cites W2469179594 @default.
- W1963663373 cites W2495171351 @default.
- W1963663373 cites W2736764388 @default.
- W1963663373 cites W2962858756 @default.
- W1963663373 cites W3099030566 @default.
- W1963663373 cites W4254624278 @default.
- W1963663373 cites W4810325 @default.
- W1963663373 doi "https://doi.org/10.1103/physrevb.90.174107" @default.
- W1963663373 hasPublicationYear "2014" @default.
- W1963663373 type Work @default.
- W1963663373 sameAs 1963663373 @default.
- W1963663373 citedByCount "224" @default.
- W1963663373 countsByYear W19636633732015 @default.
- W1963663373 countsByYear W19636633732016 @default.
- W1963663373 countsByYear W19636633732017 @default.
- W1963663373 countsByYear W19636633732018 @default.
- W1963663373 countsByYear W19636633732019 @default.
- W1963663373 countsByYear W19636633732020 @default.
- W1963663373 countsByYear W19636633732021 @default.
- W1963663373 countsByYear W19636633732022 @default.
- W1963663373 countsByYear W19636633732023 @default.
- W1963663373 crossrefType "journal-article" @default.
- W1963663373 hasAuthorship W1963663373A5002112527 @default.
- W1963663373 hasAuthorship W1963663373A5006314784 @default.
- W1963663373 hasAuthorship W1963663373A5012206702 @default.
- W1963663373 hasAuthorship W1963663373A5030687759 @default.
- W1963663373 hasAuthorship W1963663373A5036265708 @default.
- W1963663373 hasAuthorship W1963663373A5058912530 @default.
- W1963663373 hasAuthorship W1963663373A5078442867 @default.
- W1963663373 hasBestOaLocation W19636633731 @default.
- W1963663373 hasConcept C119857082 @default.
- W1963663373 hasConcept C121332964 @default.
- W1963663373 hasConcept C157764524 @default.