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Title: Calculation of binary phase diagrams between the actinide elements, rare earth elements, and transition metal elements

Abstract

Attempts were made to apply the Kaufman method of calculating binary phase diagrams to the calculation of binary phase diagrams between the rare earths, actinides, and the refractory transition metals. Difficulties were encountered in applying the method to the rare earths and actinides, and modifications were necessary to provide accurate representation of known diagrams. To calculate the interaction parameters for rare earth-rare earth diagrams, it was necessary to use the atomic volumes for each of the phases: liquid, body-centered cubic, hexagonal close-packed, and face-centered cubic. Determination of the atomic volumes of each of these phases for each element is discussed in detail. In some cases, empirical means were necessary. Results are presented on the calculation of rare earth-rare earth, rare earth-actinide, and actinide-actinide diagrams. For rare earth-refractory transition metal diagrams and actinide-refractory transition metal diagrams, empirical means were required to develop values for the enthalpy of vaporization for rare earth elements and values for the constant (C) required when intermediate phases are present. Results of using the values determined for each element are presented.

Authors:
Publication Date:
Research Org.:
EG and G Rocky Flats, Inc., Golden, CO (United States). Rocky Flats Plant
Sponsoring Org.:
USDOE; USDOE, Washington, DC (United States)
OSTI Identifier:
7203729
Report Number(s):
RFP-4450
ON: DE92019119
DOE Contract Number:
AC34-90DP62349
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; BINARY ALLOY SYSTEMS; PHASE DIAGRAMS; ACTINIDES; ENTHALPY; RARE EARTHS; TRANSITION ELEMENTS; VAPORIZATION HEAT; ALLOY SYSTEMS; DIAGRAMS; ELEMENTS; METALS; PHYSICAL PROPERTIES; THERMODYNAMIC PROPERTIES; TRANSITION HEAT; 360102* - Metals & Alloys- Structure & Phase Studies

Citation Formats

Selle, J E. Calculation of binary phase diagrams between the actinide elements, rare earth elements, and transition metal elements. United States: N. p., 1992. Web. doi:10.2172/7203729.
Selle, J E. Calculation of binary phase diagrams between the actinide elements, rare earth elements, and transition metal elements. United States. doi:10.2172/7203729.
Selle, J E. Fri . "Calculation of binary phase diagrams between the actinide elements, rare earth elements, and transition metal elements". United States. doi:10.2172/7203729. https://www.osti.gov/servlets/purl/7203729.
@article{osti_7203729,
title = {Calculation of binary phase diagrams between the actinide elements, rare earth elements, and transition metal elements},
author = {Selle, J E},
abstractNote = {Attempts were made to apply the Kaufman method of calculating binary phase diagrams to the calculation of binary phase diagrams between the rare earths, actinides, and the refractory transition metals. Difficulties were encountered in applying the method to the rare earths and actinides, and modifications were necessary to provide accurate representation of known diagrams. To calculate the interaction parameters for rare earth-rare earth diagrams, it was necessary to use the atomic volumes for each of the phases: liquid, body-centered cubic, hexagonal close-packed, and face-centered cubic. Determination of the atomic volumes of each of these phases for each element is discussed in detail. In some cases, empirical means were necessary. Results are presented on the calculation of rare earth-rare earth, rare earth-actinide, and actinide-actinide diagrams. For rare earth-refractory transition metal diagrams and actinide-refractory transition metal diagrams, empirical means were required to develop values for the enthalpy of vaporization for rare earth elements and values for the constant (C) required when intermediate phases are present. Results of using the values determined for each element are presented.},
doi = {10.2172/7203729},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jun 26 00:00:00 EDT 1992},
month = {Fri Jun 26 00:00:00 EDT 1992}
}

Technical Report:

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  • A modification was made to the Kaufman method of calculating binary phase diagrams to permit calculation of intra-rare earth diagrams. Atomic volumes for all phases, real or hypothetical, are necessary to determine interaction parameters for calculation of complete diagrams. The procedures used to determine unknown atomic volumes are describes. Also, procedures are described for determining lattice stability parameters for unknown transformations. Results are presented on the calculation of intra-rare earth diagrams between both trivalent and divalent rare earths. 13 refs., 36 figs., 11 tabs.
  • This is the final report for a three-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). This project sought to study of unusual magnetic and structural properties of rare earth, actinide, and transition metals through high-precision electronic structure calculations. Magnetic moment anisotropies in bulk and surface systems were studied, with emphasis on novel surfaces with unusual magnetic properties with possible applicability in magnetic recording. The structural stability, bonding properties, and elastic response of the actinides, as well as transition and rare earth elements and compounds, were also studied. The project sought to understand themore » unusual crystallographic and cohesive properties of the actinides and the importance of correlation to structural stability and the nature of the delocalization transition in these elements. Theoretical photoemission spectra, including surface effects, were calculated for rare earths and actinides.« less
  • Binary and ternary intermetallic compounds are being considered as a possible solution to storage problems in the use of hydrogen as an alternative fuel for many applications. For selected systems, this report reviews and summarizes theories of storage optimization, experimental procedures, property data, potential applications for stationary and mobile energy storage, resource and economic analyses, and safety factors. The systems surveyed are those binary, ternary, and complex intermetallic compounds containing a member of the transition element series, a member of the rare earth series, and/or a member of the actinide series.
  • This report covers rare earth-gold, rare earth-barium, and rare earth-beryllium alloy systems. (DLC)
  • This report is a continuation of the first two quarterly reports IS-RIC-PR-1 (December 1981) and IS-RIC-PR-2 (March 1982). Occasionally reference is made to data quoted in the earlier reports, and the reader should refer to these reports for this information. Various binary rare earth alloys are discussed.