Matches in SemOpenAlex for { <https://semopenalex.org/work/W3047314918> ?p ?o ?g. }
- W3047314918 endingPage "485902" @default.
- W3047314918 startingPage "485902" @default.
- W3047314918 abstract "Using density functional theory and ab initio molecular dynamics, we have investigated the elastic properties of Bi, Te and Cu as a function of temperature. We compare calculated quantities which can be used to determine the effectiveness of our proposed method, such as the bulk (K), shear (G), and Young's (E) moduli. We also computed Poisson's ratio (ν) and the Pugh ratio (γ) for each of these materials at different temperatures to investigate changes in ductility. We have used the elastic moduli to calculate the Debye temperature θD and minimum thermal conductivity kmin of these materials as a function of temperature. We found that the elastic properties calculated in this work are in good agreement with experimental work. The inclusion of temperature effects has allowed for the proper prediction of ductility for each of these materials, a feat that standard density functional theory calculations has previously been unable to accomplish for Bi and Te." @default.
- W3047314918 created "2020-08-10" @default.
- W3047314918 creator A5015526612 @default.
- W3047314918 creator A5035667249 @default.
- W3047314918 creator A5068924793 @default.
- W3047314918 date "2020-09-09" @default.
- W3047314918 modified "2023-10-01" @default.
- W3047314918 title "<i>Ab initio</i> investigation of the temperature-dependent elastic properties of Bi, Te and Cu" @default.
- W3047314918 cites W1967849677 @default.
- W3047314918 cites W1969920271 @default.
- W3047314918 cites W1970127494 @default.
- W3047314918 cites W1974895841 @default.
- W3047314918 cites W1975951409 @default.
- W3047314918 cites W1981368803 @default.
- W3047314918 cites W1982941259 @default.
- W3047314918 cites W1983978649 @default.
- W3047314918 cites W1984003326 @default.
- W3047314918 cites W1990889355 @default.
- W3047314918 cites W1991907097 @default.
- W3047314918 cites W1992754926 @default.
- W3047314918 cites W1992844077 @default.
- W3047314918 cites W1993300454 @default.
- W3047314918 cites W1997440426 @default.
- W3047314918 cites W1999028650 @default.
- W3047314918 cites W1999751412 @default.
- W3047314918 cites W2004318959 @default.
- W3047314918 cites W2004614359 @default.
- W3047314918 cites W2004697200 @default.
- W3047314918 cites W2005606047 @default.
- W3047314918 cites W2005859071 @default.
- W3047314918 cites W2007395042 @default.
- W3047314918 cites W2007487406 @default.
- W3047314918 cites W2007627898 @default.
- W3047314918 cites W2008055728 @default.
- W3047314918 cites W2015730062 @default.
- W3047314918 cites W2016197031 @default.
- W3047314918 cites W2016288206 @default.
- W3047314918 cites W2017927413 @default.
- W3047314918 cites W2018410023 @default.
- W3047314918 cites W2018987478 @default.
- W3047314918 cites W2020361041 @default.
- W3047314918 cites W2024264497 @default.
- W3047314918 cites W2028082875 @default.
- W3047314918 cites W2029624140 @default.
- W3047314918 cites W2030976617 @default.
- W3047314918 cites W2032593393 @default.
- W3047314918 cites W2033524476 @default.
- W3047314918 cites W2033904956 @default.
- W3047314918 cites W2035718378 @default.
- W3047314918 cites W2036335668 @default.
- W3047314918 cites W2037362452 @default.
- W3047314918 cites W2042549023 @default.
- W3047314918 cites W2043893545 @default.
- W3047314918 cites W2044749813 @default.
- W3047314918 cites W2047898485 @default.
- W3047314918 cites W2048084283 @default.
- W3047314918 cites W2052886773 @default.
- W3047314918 cites W2060074373 @default.
- W3047314918 cites W2064807075 @default.
- W3047314918 cites W2071208852 @default.
- W3047314918 cites W2073024667 @default.
- W3047314918 cites W2073531811 @default.
- W3047314918 cites W2075937489 @default.
- W3047314918 cites W2076892176 @default.
- W3047314918 cites W2077137667 @default.
- W3047314918 cites W2078086786 @default.
- W3047314918 cites W2079105963 @default.
- W3047314918 cites W2079738328 @default.
- W3047314918 cites W2080845765 @default.
- W3047314918 cites W2081477808 @default.
- W3047314918 cites W2083222334 @default.
- W3047314918 cites W2084040256 @default.
- W3047314918 cites W2084289030 @default.
- W3047314918 cites W2092157292 @default.
- W3047314918 cites W2093541470 @default.
- W3047314918 cites W2097167386 @default.
- W3047314918 cites W2097650833 @default.
- W3047314918 cites W2107264164 @default.
- W3047314918 cites W2130699998 @default.
- W3047314918 cites W2140180447 @default.
- W3047314918 cites W2172172627 @default.
- W3047314918 cites W2183869653 @default.
- W3047314918 cites W2230728100 @default.
- W3047314918 cites W2330462135 @default.
- W3047314918 cites W26461668 @default.
- W3047314918 cites W2789737711 @default.
- W3047314918 cites W2811207405 @default.
- W3047314918 cites W2938699393 @default.
- W3047314918 cites W2971788259 @default.
- W3047314918 cites W2987161655 @default.
- W3047314918 cites W619817466 @default.
- W3047314918 doi "https://doi.org/10.1088/1361-648x/ababdf" @default.
- W3047314918 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/32903220" @default.
- W3047314918 hasPublicationYear "2020" @default.
- W3047314918 type Work @default.
- W3047314918 sameAs 3047314918 @default.
- W3047314918 citedByCount "5" @default.
- W3047314918 countsByYear W30473149182021 @default.