Die Darstellung von Phasengebieten in Zustandsdiagrammen einiger supraleitender Systeme mit Hilfe der Elektronenstrahl‐Mikroanalyse

Ronami, G. N.

doi:10.1002/crat.19720070602

Cited by 13 publications

(1 citation statement)

References 3 publications

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“…Mo-Ti (Molybdenum -Titanium). To our knowledge, no intermetallic compounds have been reported for the system Mo-Ti [9,10,48,[218][219][220], and it is considered a non-compound forming system [10,11]. In contrast to the experimental assessment, we find seven stable compounds.…”

Section: Mo-rh Systemcontrasting

confidence: 63%

Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys

Curtarolo

Morgan

Ceder

2005

Calphad

334

320

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systems in which the ab initio method predicts that no compounds are stable). A detailed comparison to experimental data confirms the high accuracy with which ab initio methods can predict ground states. A 2 B 2 hcp superstructure for RhRu, and an A 2 B 4 hcp superstructure for RhRu 2 (Appendix (XI)). In addition, we find two new crystal structures which are not superstructures of fcc, bcc or hcp: MoZr 3 and Mo 5 Ti (for Mo 5 Ti, MoZr 5 , and Nb 5 Ru) (Appendix (XII)). II. THE LIBRARY: ALLOYS AND STRUCTURESBinary alloys. Our calculated library contains 80 binary intermetallic alloys. The alloys include the binaries that can be made from row 5 transition metals, as well as some systems with Aluminum, Gold, Magnesium, Platinum, Scandium, Sodium, Titanium, and Technetium. The alloys are: AgAu, AgCd, AgMg, where the superscript * indicates the systems in which the high throughput ab initio method predicts that no compounds are stable: 57 alloys form compounds and 23 are non compound forming.Structures and their prototypes. The library contains 176 crystal structures. Many of these have the same structure type but with different compositions of occupancies, for example, AB 3 and A 3 B (also AB and BA if the point groups of atomic positions of A and B are different), so the number of distinct prototypes is 101. The various concentrations are listed in the table below.TcZr-B2 TABLE 6: Experimentally unknown, non-identified or speculated compounds and ab initio predictions (21 entries). 48 C. Experimental solid solutions, two-phases and "not studied" regions and possible ab initio predictions Experimental non-compound ⇔ ab initio compound System Experimental resultAb initio result Ag-Au short-range order 950 • C Ag 4 Au-D1a/tie-line Ag-Au short-range order 950 • C Ag 3 Au-L1 2 /D0 23 /Al 3 Pu/NbPd 3 /D0 22 /D0 24 Ag-Au short-range order 950 • C Ag 2 Au-C37/MoPt 2 Ag-Au short-range order 950 • C AgAu-L1 0 Ag-Au short-range order 950 • C AgAu 2 -C37/MoPt 2 Ag-Au short-range order 950 • C AgAu 3 -L1 2 /D0 22 /D0 23 Ag-Cd fcc solid solution Ag 3 Cd-D0 22 /D0 24

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Section: Mo-rh Systemcontrasting

confidence: 63%

Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys

Curtarolo

Morgan

Ceder

2005

Calphad

334

320

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Metallkundliche Möglichkeiten zur Erhöhung der Sprungtemperatur zur Supraleitung von A15-Phasen

Wiesinger

1977

Phys. Stat. Sol. (a)

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Eine Bedingung fur maximale Sprungtemperaturen von A15-Phasen ist die stochiometrische Zusammensetzung A,B. Bei Abweichung von dieser fa11t die Sprungtemperatur innerhalb des Homogenitatsbereiches linear ab. Verschiedene A15-Phasen haben einen Homogenitatsbereich, der die stochiometrische Zusammensetzung nicht einschlieat. Fur diese werden demzufolge zu niedrige Sprungtemperaturen gemessen und durch Annaherung an die stochiometrische Zusammensetzung konnen Sprungtemperaturerhohungen erreicht werden. Es wird gepruft, a n welchen Phasen und in welchem MaBe das moglich sein konnte. Dazu werden alle A15-Phasen mit ihren Sprungtemperaturen, Valenzelektronenkonzentrationen und Zusammensetzungen der Phasengrenzen des Homogenitatsbereiches zusammengestellt.A condition for maximum transition temperatures of A15-phases is the stoichiometric composition A,B. With deviation from the stoichiometry the transition temperature drops linearly within the homogeneity range. Various A15-phases have a homogeneity range which does not include the stoichiometric composition. Hence for these phases too low transition temperatures are measured, by approximation to the stoichiometric composition, however, increases of the transition temperatures may be reached. It is investigated which phases are suited and to which extent i t is possible. For this end all A15-phases as well as their transition temperatures, valence-electron concentrations, and the compositions of the phase boundaries of the homogeneity range.are compiled.

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Mo-Ti (Molybdenum-Titanium)

Predel¹

Li-Mg – Nd-Zr

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Die Darstellung von Phasengebieten in Zustandsdiagrammen einiger supraleitender Systeme mit Hilfe der Elektronenstrahl‐Mikroanalyse

Cited by 13 publications

References 3 publications

Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys

Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys

Metallkundliche Möglichkeiten zur Erhöhung der Sprungtemperatur zur Supraleitung von A15-Phasen

Mo-Ti (Molybdenum-Titanium)

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