Theoretical studies on the structures of insulating and metallic glasses. Annual progress report, July 1, 1985-June 30, 1986

Technical Report · Wed Jan 01 04:00:00 EST 1986

OSTI ID:5602845

Ching, W Y

This is the second year of a three-year project to study the electronic and structural properties of glassy systems by means of large scale theoretical calculations. The major accomplishments covered in this report are: completion of study of electronic structures of Ni/sub x/P/sub 1-x/ metallic glasses; completion of the construction of periodic structural models for (Na/sub 2/O)(SiO/sub 2/)/sub 2/ insulating glass; construction of the cannonical potentials for all the metallic elements in the periodic table with atomic number Z up to 55; initiation of electronic and magnetic property studies of some intermetallic compounds with complex structures; and implementation of a newly developed orbital-charge self-consistent procedure into the OLCAO calculation and the successful extension of the OLCAO codes to f-electron systems.

• Research Organization: Missouri Univ., Kansas City (USA)
• DOE Contract Number: FG02-84ER45170
• OSTI ID: 5602845
• Report Number(s): DOE/ER/45170-T1; ON: DE86011484
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360102* -- Metals & Alloys-- Structure & Phase Studies
360602 -- Other Materials-- Structure & Phase Studies
ALLOYS
ELECTRONIC STRUCTURE
ELEMENTS
GLASS
INTERMETALLIC COMPOUNDS
MAGNETIC PROPERTIES
METALLIC GLASSES
METALS
PHYSICAL PROPERTIES
POTENTIALS
RESEARCH PROGRAMS