Phase diagrams of plutonium with metals of groups IIA, IVA, VIII, and IB

Kutaitsev, V. I.; Chebotarev, N.T.; Andrianov, M. A.; Konev, V. N.; Lebedev, I. G.; Bagrova, V. I.; Beznosikova, A. V.; Kruglov, A. A.; Petrov, Petar N.; Smotritskaya, E. S.

doi:10.1007/bf01162033

Cited by 22 publications

(11 citation statements)

References 2 publications

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“…The orientation, leastsquares, and data collection programs were obtained from Busing, Ellinson, Levy, King & Roseberry (1968). The crystallographic data are given in Table 1 and are in reasonable agreement with those reported by Kutaitsev et al (1967). The 0-20 scan mode was used for making intensity measurements in steps of 0.05°20 over a scan range of 2.5 ° plus the ~1-c~2 dispersion.…”

Section: Methodssupporting

confidence: 62%

“…The phase diagram for the plutonium-palladium system has been published by Kutaitsev, Chebotarev, Lebedev, Andrianov, Konev & Menshikova (1967). Four compounds were reported: PusPd4 and PuPd, whose structures are unknown; PuPd3 having the cubic AuCua structure; and Pu3Pd4 having rhombohedral symmetry, hexagonal lattice constants of a= 13.304 and c=5.783 A,, and containing 6 formula units per hexagonal cell.…”

Section: Introductionmentioning

confidence: 99%

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The crystal structure of Pu3Pd4

Cromer¹,

Larson²,

Roof³

1973

Acta Crystallogr Sect B

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Crystals of the intermetallic compound PuaPd4 are rhombohedral, space group R3, with 2 formula units per cell. The unit-cell dimensions for the hexagonal representation are a= 13"344+ 2, c=5-744+2. Three-dimensional intensity measurements were made with graphite monochromated Mo Ke radiation utilizing the 0-20 scan mode of a Picker four-circle goniometer interfaced with a PDP-8 computer. The structure was solved by the symbolic addition method followed by a full-matrix least-squares refinement. The conventional R index with anisotropic thermal parameters is 0-045 for 1092 observed reflections. Interatomic distances for Pu-Pu ranged from 3"44 to 3.97 A,, for Pu-Pd from 2.89 to 3-30 A,, and for Pd-Pd from 2-87 to 3-69 A,.

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Section: Methodssupporting

confidence: 62%

Section: Introductionmentioning

confidence: 99%

The crystal structure of Pu3Pd4

Cromer¹,

Larson²,

Roof³

1973

Acta Crystallogr Sect B

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“…The Pd 4 Pu 3 (hR14, space group #148) was first observed in its eponymous system in 1967 [66,67]. It has since been reported in 37 additional binary systems, mostly of a lanthanide or an actinide with the elements Pt or Pd.…”

Section: Synergy Of Experimental and Calculation Data On A Rare Prmentioning

confidence: 99%

A RESTful API for exchanging materials data in the AFLOWLIB.org consortium

Taylor

Rose

Toher

et al. 2014

Computational Materials Science

170

210

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The continued advancement of science depends on shared and reproducible data. In the field of computational materials science and rational materials design this entails the construction of large open databases of materials properties. To this end, an Application Program Interface (API) following REST principles is introduced for the AFLOWLIB.org materials data repositories consortium. AUIDs (Aflowlib Unique IDentifier) and AURLs (Aflowlib Uniform Resource Locator) are assigned to the database resources according to a well-defined protocol described herein, which enables the client to access, through appropriate queries, the desired data for post-processing. This introduces a new level of openness into the AFLOWLIB repository, allowing the community to construct highlevel work-flows and tools exploiting its rich data set of calculated structural, thermodynamic, and electronic properties. Furthermore, federating these tools will open the door to collaborative investigations of unprecedented scope that will dramatically accelerate the advancement of computational materials design and development.

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“…Berndt [12] also indexed the x-ray diffraction powder pattern for the hphase at 21 at.% Zr on the basis of a tetragonal unit cell and proposed the Pu 4 Zr stoichiometry (compared with Pu 6 Zr in [3] ). Additional works on the plutonium-rich alloys from [13,14] characterized the f-phase. Kutaitsev et al [13,14] confirmed the existence of this complex phase and determined its boundaries.…”

Section: Experimental Reviewmentioning

confidence: 99%

“…Additional works on the plutonium-rich alloys from [13,14] characterized the f-phase. Kutaitsev et al [13,14] confirmed the existence of this complex phase and determined its boundaries. The f-phase exists in the composition range * 3 to 5 at.% Zr and may be described as Pu 19 Zr (see Fig.…”

Section: Experimental Reviewmentioning

confidence: 99%

Experimental and Modeling Review of the Plutonium-Zirconium (Pu-Zr) System: Lost in Translation and Over Time?

Perron

Turchi

2020

J. Phase Equilib. Diffus.

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This article presents a review of the phase equilibria of the Pu-Zr system and discusses the contradictory reports on the experimental phase diagram and misinterpretations that have led to confusion over time. In addition, a review of the few Pu-Zr CALculation of PHAse Diagrams (CALPHAD) assessments is presented with emphasis on the heat of formation of the bcc phase, highlighting a disagreement between CALPHAD and ab initio calculations. Based on the information gathered in this study, a critical re-assessment of the Pu-Zr system involving the f (Pu 28 Zr), h (Pu 4 Zr), kinetically hindered j (PuZr 2 ), and once observed i phases is called for.This article is an invited paper selected from presentations at ''PSDK XIV: Phase Stability and Diffusion Kinetics-Gibbs: Phase Equilibria, Diffusion and Materials Design'' held during MS&T'19, September 29-October 3, 2019, in Portland, Oregon. The special sessions were dedicated to honor Dr. Patrice Turchi, recipient of the ASM International 2019 J. Willard Gibbs Phase Equilibria Award ''for outstanding and pioneering contributions in the application of first-principles, quantum-mechanical calculations to the modeling of phase equilibria and thermodynamic behavior of alloys.'' It has been expanded from its original presentation.

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Phase diagrams of plutonium with metals of groups IIA, IVA, VIII, and IB

Cited by 22 publications

References 2 publications

The crystal structure of Pu3Pd4

The crystal structure of Pu3Pd4

A RESTful API for exchanging materials data in the AFLOWLIB.org consortium

Experimental and Modeling Review of the Plutonium-Zirconium (Pu-Zr) System: Lost in Translation and Over Time?

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