FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4281750558> ?p ?o ?g. }

• W4281750558 endingPage "e00703" @default.
• W4281750558 startingPage "e00703" @default.
• W4281750558 abstract "Actinide carbides, like ThC and UC, have been widely studied in recent years, on the contrary, protactinium carbide has merited less attention. One issue of PaC that has not been approached, neither experimentally nor theoretically is the formation of defects and the incorporation of impurities. Therefore, we will focus on these topics through a numerically study. To accomplish this, we calculate formation energies of vacancy, tetrahedral interstitial, Frenkel pair, Schottky and antisite defects. We find that C vacancies are the energetically preferred defect. We analyze density of states, charge densities and distortion of lattices with these kind of defects. We also study the effect of incorporation of oxygen and helium in vacancy and interstitial defects. In view of the lack of both theoretical and experimental results in PaC, we compared with UC and ThC. As a measure of the efficacy of the protactinium pseudopotential, which we generate, we calculate structural parameters and phonon spectrum." @default.
• W4281750558 created "2022-06-13" @default.
• W4281750558 creator A5019882848 @default.
• W4281750558 creator A5047817086 @default.
• W4281750558 creator A5076465744 @default.
• W4281750558 date "2022-09-01" @default.
• W4281750558 modified "2023-10-06" @default.
• W4281750558 title "Numerical study of defects in protactinium carbide" @default.
• W4281750558 cites W1495980483 @default.
• W4281750558 cites W1550186202 @default.
• W4281750558 cites W1927393101 @default.
• W4281750558 cites W1976254829 @default.
• W4281750558 cites W1984179412 @default.
• W4281750558 cites W1986492376 @default.
• W4281750558 cites W1988527086 @default.
• W4281750558 cites W1988762313 @default.
• W4281750558 cites W1991982266 @default.
• W4281750558 cites W1994222404 @default.
• W4281750558 cites W1995439885 @default.
• W4281750558 cites W2004035586 @default.
• W4281750558 cites W2004318959 @default.
• W4281750558 cites W2012286791 @default.
• W4281750558 cites W2022698603 @default.
• W4281750558 cites W2027231172 @default.
• W4281750558 cites W2031531374 @default.
• W4281750558 cites W2036113194 @default.
• W4281750558 cites W2041663817 @default.
• W4281750558 cites W2042988980 @default.
• W4281750558 cites W2045596260 @default.
• W4281750558 cites W2046699012 @default.
• W4281750558 cites W2048500676 @default.
• W4281750558 cites W2049856004 @default.
• W4281750558 cites W2052910633 @default.
• W4281750558 cites W2054704030 @default.
• W4281750558 cites W2064807075 @default.
• W4281750558 cites W2069790040 @default.
• W4281750558 cites W2074120985 @default.
• W4281750558 cites W2080217389 @default.
• W4281750558 cites W2083520922 @default.
• W4281750558 cites W2092382928 @default.
• W4281750558 cites W2150712140 @default.
• W4281750558 cites W2240069819 @default.
• W4281750558 cites W2313844050 @default.
• W4281750558 cites W2341946379 @default.
• W4281750558 cites W2412211076 @default.
• W4281750558 cites W2478466454 @default.
• W4281750558 cites W2592395176 @default.
• W4281750558 cites W2619232925 @default.
• W4281750558 cites W2756244447 @default.
• W4281750558 cites W2886292894 @default.
• W4281750558 cites W2939835791 @default.
• W4281750558 cites W2978250450 @default.
• W4281750558 cites W3007464874 @default.
• W4281750558 cites W3012393274 @default.
• W4281750558 cites W4214923846 @default.
• W4281750558 doi "https://doi.org/10.1016/j.cocom.2022.e00703" @default.
• W4281750558 hasPublicationYear "2022" @default.
• W4281750558 type Work @default.
• W4281750558 citedByCount "0" @default.
• W4281750558 crossrefType "journal-article" @default.
• W4281750558 hasAuthorship W4281750558A5019882848 @default.
• W4281750558 hasAuthorship W4281750558A5047817086 @default.
• W4281750558 hasAuthorship W4281750558A5076465744 @default.
• W4281750558 hasConcept C114221277 @default.
• W4281750558 hasConcept C121332964 @default.
• W4281750558 hasConcept C132378524 @default.
• W4281750558 hasConcept C135788738 @default.
• W4281750558 hasConcept C164675345 @default.
• W4281750558 hasConcept C179104552 @default.
• W4281750558 hasConcept C184779094 @default.
• W4281750558 hasConcept C185592680 @default.
• W4281750558 hasConcept C191897082 @default.
• W4281750558 hasConcept C192562407 @default.
• W4281750558 hasConcept C26873012 @default.
• W4281750558 hasConcept C505015426 @default.
• W4281750558 hasConcept C527038400 @default.
• W4281750558 hasConcept C555451288 @default.
• W4281750558 hasConceptScore W4281750558C114221277 @default.
• W4281750558 hasConceptScore W4281750558C121332964 @default.
• W4281750558 hasConceptScore W4281750558C132378524 @default.
• W4281750558 hasConceptScore W4281750558C135788738 @default.
• W4281750558 hasConceptScore W4281750558C164675345 @default.
• W4281750558 hasConceptScore W4281750558C179104552 @default.
• W4281750558 hasConceptScore W4281750558C184779094 @default.
• W4281750558 hasConceptScore W4281750558C185592680 @default.
• W4281750558 hasConceptScore W4281750558C191897082 @default.
• W4281750558 hasConceptScore W4281750558C192562407 @default.
• W4281750558 hasConceptScore W4281750558C26873012 @default.
• W4281750558 hasConceptScore W4281750558C505015426 @default.
• W4281750558 hasConceptScore W4281750558C527038400 @default.
• W4281750558 hasConceptScore W4281750558C555451288 @default.
• W4281750558 hasLocation W42817505581 @default.
• W4281750558 hasOpenAccess W4281750558 @default.
• W4281750558 hasPrimaryLocation W42817505581 @default.
• W4281750558 hasRelatedWork W1977210854 @default.
• W4281750558 hasRelatedWork W198593131 @default.
• W4281750558 hasRelatedWork W2043033627 @default.
• W4281750558 hasRelatedWork W2063195517 @default.

• next