The Generation IV Pebble Bed Modular Reactor (PBMR) is being considered as a promising concept to produce electricity or process heat with high efficiencies and unique safety features. The PBMR is a high-temperature, helium-cooled, graphite moderated reactor. The fuel elements consist of 6 cm diameter spherical graphite “pebbles” containing each thousands of uranium dioxide microspheres. As the...

CO2 capture and storage/sequestration (CCS) is a key technology for addressing the global warming issue. This paper proposes an integrated model for the whole chain of CCS, from a power plant to a reservoir. The integrated model is further utilized to determine optimal operating conditions and study responses to various changes in input variables. Keywords—CCS, Caron Dioxide, Carbon Capture and...

We applied the non-equilibrium ab-initio molecular dynamics and predict the lattice thermal conductivity of the pristine uranium dioxide for up to 2000 K. We also use the equilibrium classical molecular dynamics and heat-current autocorrelation decay theory to decompose the lattice thermal conductivity into acoustic and optical components. The predicted optical phonon transport is temperature i...

We provide a methodology for generating interatomic potentials for use in classical molecular-dynamics simulations of atomistic phenomena occurring at energy scales ranging from lattice vibrations to crystal defects to high-energy collisions. A rigorous method to objectively determine the shape of an interatomic potential over all length scales is introduced by building upon a charged-ion gener...

The present highlight reviews recent advances in first-principles modelling of radiation damage in UO2. It focuses on the influence of strong correlations and the problem of metastable states that occur with some approximations that localize electrons, in particular the density functional theory (DFT)+U approximation. It gives an illustration that DFT+U calculations quantitatively describe atom...

abstract uranium is a radioactive heavy metal. development of nuclear industries and application of phosphate fertilizers contain uranium impurity resulted in soil contamination with uranium. a pot experiment had been conducted under controlled condition. the experiment carried out in completely randomized design with two factors, including two plants (soybean and sunflower) and six levels of u...