Published November 2010
| Version v1
Book
Study of property of the (100) surface of γ-Pu
Creators
- 1. The Second Artillery Engineering College, Xi'an (China)
Description
Pu material can generate surface corrosion and self-radiation effect during storage, in order to study these aging behavior, DMol3 program was adopted to simulate property of the (100) surface of γ-Pu, such as band structure, density of states, electrostatic potential and Fukui function fields under the generalized gradient approximation(GGA) of the density functional theory(DFT). The calculation results provide technical support for studying the chemisorptions of γ-Pu with H2 and O2, etc. (authors)
Additional details
Publishing Information
- Publisher
- Atomic Energy Press
- Imprint Place
- Beijing (China)
- ISBN
- 978-7-5022-5040-9
- Imprint Title
- Progress report on nuclear science and technology in China (Vol.1). Proceedings of academic annual meeting of China Nuclear Society in 2009, No.6--nuclear physics
- Imprint Pagination
- 190 p.
- Journal Page Range
- p. 173-177
Conference
- Title
- academic annual meeting of China Nuclear Society
- Acronym
- '09
- Dates
- 18-20 Nov 2009
- Place
- Beijing (China)
INIS
- Country of Publication
- China
- Country of Input or Organization
- China
- INIS RN
- 44032690
- Subject category
- S36: MATERIALS SCIENCE;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- AGING; APPROXIMATIONS; CHEMISORPTION; CORROSION; DENSITY; DENSITY FUNCTIONAL METHOD; ELECTRIC POTENTIAL; FUNCTIONS; HYDROGEN; PLUTONIUM-ALPHA; STORAGE; SURFACE PROPERTIES; SURFACES
- Descriptors DEC
- ACTINIDES; CALCULATION METHODS; CHEMICAL REACTIONS; ELEMENTS; METALS; NONMETALS; PHYSICAL PROPERTIES; PLUTONIUM; SEPARATION PROCESSES; SORPTION; TRANSURANIUM ELEMENTS; VARIATIONAL METHODS
Optional Information
- Notes
- 5 figs., 9 refs.