Some aspects of the use of ZrN as an inert matrix for actinide fuels

Burghartz, M.; Ledergerber, G.; Hein, H.; Laan, R.R. van der; Konings, R.J.M.

doi:10.1016/s0022-3115(00)00722-4

Cited by 70 publications

(26 citation statements)

References 6 publications

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“…19 The plane wave cutoff for the basis function was set to RK max = 7.0. The electronic structures of Fe doped ZrN were studied by constructing super cell of Zr 8 …”

Section: Methods Of Calculationmentioning

confidence: 99%

“…L. A. Salguero et al 6 worked on ground state properties and structural phase transformation in ZrN. Recent studies by M. Streit et al 7 and M. Burghartz et al 8 have shown that ZrN can be used as Inert Matrix Fuel for nuclear reactors. ZrN is also a useful candidate for Josephson junctions as per the earlier works done by K. Schwarz et al 9 in the year 1985.…”

Section: Introductionmentioning

confidence: 99%

“…Zirconium Nitride has recently been under research to unravel its potential application in nuclear reactors as inert matrix fuel (IMF) material. It has been proposed recently 7,8 that this material can find its use in fast nuclear reactors due to its high thermal conductivity and high melting point(around 3000 • C). Moreover, ZrN crystallizes in cubic structure which is identical to the structure of plutonium nitride 7, 8 -a material largely used in reactors.…”

Section: Introductionmentioning

confidence: 99%

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FP-LAPW investigation of electronic, magnetic, elastic and thermal properties of Fe-doped zirconium nitride

Sirajuddeen

Banu

2014

AIP Advances

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Full Potential- Linear Augmented Plane Wave (FP-LAPW) method has been employed to study the electronic, magnetic, elastic and thermal properties of Fe-doped Zirconium nitride. In this work, Fe-atoms were doped into the super cell of ZrN in doping concentrations of 12.5%, 25% and 37.5% to replace Zr atoms. Electronic properties such as band structure and DOS were plotted and compared for the doped compounds. Charge density contours were plotted for all the doped compounds. The non-magnetic ZrN doped in different Fe concentrations were found to be ferromagnetic. Magnetic moments have been calculated and compared. Elastic properties have been studied and compared with electronic properties. Appearance of magnetic ordering and its influence with the elastic properties have been reported. Impact of 3d states of Fe in DOS plot on the elastic nature of the compounds has been highlighted. Thermal properties such as Debye temperature and molar heat capacities at low temperature have been determined. Debye temperature is found to decrease with higher doping concentrations. Molar heat capacities are found to increase with higher concentrations of Fe atoms.

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“…19 The plane wave cutoff for the basis function was set to RK max = 7.0. The electronic structures of Fe doped ZrN were studied by constructing super cell of Zr 8 …”

Section: Methods Of Calculationmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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FP-LAPW investigation of electronic, magnetic, elastic and thermal properties of Fe-doped zirconium nitride

Sirajuddeen

Banu

2014

AIP Advances

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“…Zirconium nitride was chosen as a primary candidate for the inert matrix not only for its physical properties but also because it is somewhat of a surrogate for a TRU-N. Due to the similar atomic radii and chemical similarities between the actinide elements and zirconium the radiation tolerance of ZrN may be used as a predictor for the tolerance of TRU-N to fission products and irradiation displacement damage [6,7,8].…”

Section: Zrn As An Inert Matrix and Surrogatementioning

confidence: 99%

Radiation Damage and Fission Product Release in Zirconium Nitride

Egeland

2005

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Zirconium nitride is a material of interest to the AFCI program due to some of its particular properties, such as its high melting point, strength and thermal conductivity. It is to be used as an inert matrix or diluent with a nuclear fuel based on transuranics. As such, it must sustain not only high temperatures, but also continuous irradiation from fission and decay products. This study addresses the issues of irradiation damage and fission product retention in zirconium nitride through an assessment of defects that are produced, how they react, and how predictions can be made as to the overall lifespan of the complete nuclear fuel package.Ion irradiation experiments are a standard method for producing radiation damage to a surface for observation. Cryogenic irradiations are performed to produce the maximum accumulation of defects, while elevated temperature irradiations may be used to allow defects to migrate and react to form clusters and loops. Cross-sectional transmission electron microscopy and grazing-incidence x-ray diffractometry were used in evaluating the effects that irradiation has on the crystal structure and microstructure of the material. Other techniques were employed to evaluate physical effects, such as nanoindentation and helium release measurements.Results of the irradiations showed that, at cryogenic temperatures, ZrN withstood over 200 displacements per atom without amorphization. No significant change to the lattice or microstructure was observed. At elevated temperatures, the large amount of damage showed mobility, but did not anneal significantly. Defect clustering was possibly observed, yet the size was too small to evaluate, and bubble formation was not observed.Defects, specifically nitrogen vacancies, affect the mechanical behavior of ZrN dramatically. Current and previous work on dislocations shows a distinct change in slip plane, which is evidence of the bonding characteristics. The stacking-fault energy changes dramatically with lowered nitrogen stoichiometry, resulting in widely spaced partial dislocations in ZrN with high nitrogen vacancy concentration.The wide range of nitrogen stoichiometry in the phase field shows that ZrN may accept nitrogen defects readily. Explanations for this are suggested based upon the bonding structure of these cubic nitrides. This structure allows for a solid framework to remain on one sublattice, while at the same time allowing defects on the other sublattice. This allowance for defects allows significant damage from irradiation yet also decreases the drive for cluster growth. This is evidence that the structure will be acceptable for long-term use as a nuclear reactor fuel.

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“…Zirconium nitride has traditionally been used as hard coatings for power tools [7] but is being considered for use as an inert matrix fuel (IMF) or as advanced fuel particle coating due to its high thermal conductivity, low neutron capture cross section and chemical compatibility with existing fuel cycle technology [8]. Due to this increased interest recent work has focused on assessing thermophysical properties of ZrN and mixed phases of actinide nitrides dispersed in ZrN.…”

Section: Introductionmentioning

confidence: 99%

On the fabrication of ZrC x N y from ZrO 2 via two-step carbothermic reduction–nitridation

Harrison

Rapaud

Pradeilles

et al. 2015

Journal of the European Ceramic Society

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This study examined the processing parameters of a two-step carbothermal reduction-nitridation of ZrO 2 as a UO 2 /PuO 2 simulant to fabricate ZrN. Variables studied were the reaction time, reaction temperature and the starting powder composition Higher temperatures, longer reaction times and higher initial amounts of carbon in the starting material lead to increased nitridation similar to previous work with uranium oxide but that reaction rate decreases with time. SEM and TEM of the reacted powders reveal regions of ZrC with ledges indicative of crystal defects with small particles of ZrN growing on the ZrC bulk material suggesting a reaction that occurs via Zr transport to the reaction site either through mass diffusion or evaporation-condensation of Zr (g) and with N 2(g) forming the nitride. Annealing experiments on these mixed phases shows formation of a solid solution is rapid compared to the nitridation, where there is no formation of a mixed phase.

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Some aspects of the use of ZrN as an inert matrix for actinide fuels

Cited by 70 publications

References 6 publications

FP-LAPW investigation of electronic, magnetic, elastic and thermal properties of Fe-doped zirconium nitride

FP-LAPW investigation of electronic, magnetic, elastic and thermal properties of Fe-doped zirconium nitride

Radiation Damage and Fission Product Release in Zirconium Nitride

On the fabrication of ZrC x N y from ZrO 2 via two-step carbothermic reduction–nitridation

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