Modeling and simulation of nuclear fuel materials

被引：70

作者：

Devanathan, Ram ^{[1
]}

Van Brutzel, Laurent ^{[2
]}

Chartier, Alain ^{[2
]}

Gueneau, Christine ^{[2
]}

Mattsson, Ann E. ^{[3
]}

Tikare, Veena ^{[3
]}

Bartel, Timothy ^{[3
]}

Besmann, Theodore ^{[4
]}

Stan, Marius ^{[5
]}

Van Uffelen, Paul ^{[6
]}

机构：

[1] Pacific NW Natl Lab, Richland, WA 99352 USA

[2] CEA, Serv Chim Phys, F-91191 Gif Sur Yvette, France

[3] Sandia Natl Labs, Albuquerque, NM 87185 USA

[4] Oak Ridge Natl Lab, Oak Ridge, TN USA

[5] Los Alamos Natl Lab, Los Alamos, NM USA

[6] Commiss European Communities, Joint Res Ctr, Inst Transuranium Elements, D-7500 Karlsruhe, Germany

来源：

ENERGY & ENVIRONMENTAL SCIENCE | 2010年 / 3卷 / 10期

关键词：

MOLECULAR-DYNAMICS SIMULATION; CHEMICAL THERMODYNAMIC REPRESENTATION; TEMPERATURE-ACCELERATED DYNAMICS; PHASE-FIELD MODEL; COMPUTER-SIMULATION; POINT-DEFECTS; ELECTRONIC-STRUCTURE; URANIUM-DIOXIDE; GRAIN-GROWTH; INTERATOMIC POTENTIALS;

D O I：

10.1039/c0ee00028k

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We review the state of modeling and simulation of nuclear fuels with emphasis on the most widely used nuclear fuel, UO2. The hierarchical scheme presented represents a science-based approach to modeling nuclear fuels by progressively passing information in several stages from electronic structure calculations to continuum level simulations. Such an approach is essential to overcome the challenges posed by radioactive materials handling, experimental limitations in modeling extreme conditions and accident scenarios, and the small time and distance scales of fundamental processes. When used in conjunction with experimental validation, this multiscale modeling scheme can provide valuable guidance to development of fuel for advanced reactors to meet rising global energy demand.

引用

页码：1406 / 1426

页数：21

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