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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Particle atomic layer deposition of alumina for sintering yttria-stabilized cubic zirconia

The addition of aluminum oxide (Al 2 O 3 ) as a sintering aid to yttria-stabilized zirconia (YSZ) reduces the required densification temperature. Sintering aids are incorporated using a number of processes which can lead to ambiguity when determining the effect of the sintering aid on the densification mechanism. In this study, a novel method for sintering aid addition, Particle Atomic Layer Deposition (ALD), was used to deposit an amorphous Al 2 O 3 thin film on YSZ particles. Transmission electron microscopy confirmed the deposition of conformal Al 2 O 3 thin films on the surface of the YSZ particles. The addition of Al 2 O 3 to YSZ reduced the temperature at which densification began by ~75 degrees C, and 2.2 wt% Al 2 O 3 addition resulted in a minimum activation energy for the intermediate stage of densification. This concentration is well in excess of the solubility limit of Al 2 O 3 in YSZ, showing that Al 2 O 3 does not enhance the densification of YSZ solely by dissolving into the YSZ lattice and activating volume diffusion. The addition of 0.7 wt% Al 2 O 3 with one Particle ALD cycle enhanced the ionic conductivity of YSZ by 23% after sintering at 1350 degrees C for 2 hours, demonstrating that dense parts with high oxygen ion conductivities can be produced after sintering at reduced temperatures. One Particle ALD cycle is a fast, easily scaled-up process that eliminates the use of solvents and has substantial cost/performance advantages over conventional processing.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Reduced-temperature processing and consolidation of ultra-refractory Ta4HfC5

TaC, HfC, and WC powders were subjected to high-energy milling and hot pressing to produce Ta4HfC5, a composite of Ta(4)HfC5 + 30 vol.% WC, and a composite of Ta4HfC5 + 50 vol.% WC. Sub-micron powders were examined after four different milling intervals prior to hot pressing. XRD was used to verify proper phase formation. SEM, relative density, and hardness measurements were used to examine the resulting phases. Hot pressed compacts of Ta4HfC5 showed densification as high as 98.6% along with Vickers hardness values of 21.4 GPa. Similarly, Ta4HfC5 + 30 vol.% WC exhibited 99% densification with a Vickers hardness of 22.5 GPa. These levels of densification were achieved at 1500 degrees C, which is lower than any previously reported sintering temperature for Ta4HfC5. Microhardness values measured in this study were higher than those previously reported for Ta4HfC5. The WC additions to Ta4HfC5 were found to improve densification and increase microhardness. (C) 2013 Elsevier Ltd. All rights reserved.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Compaction of Titanium Powders

Accurate modeling of powder densification has been an area of active research for more than 60 years. The earliest efforts were focused on linearization of the data because computers were not readily available to assist with curve-fitting methods. In this work, eight different titanium powders (three different sizes of sponge fines<150 {micro}m,<75 {micro}m, and<45 {micro}m; two different sizes of a hydride-dehydride [HDH]<75 {micro}m and<45 {micro}m; an atomized powder; a commercially pure [CP] Ti powder from International Titanium Powder [ITP]; and a Ti 6 4 alloy powder) were cold pressed in a single-acting die instrumented to collect stress and deformation data during compaction. From these data, the density of each compact was calculated and then plotted as a function of pressure. The results show that densification of all the powders, regardless of particle size, shape, or chemistry, can be modeled accurately as the sum of an initial density plus the sum of a rearrangement term and a work-hardening term. These last two terms are found to be a function of applied pressure and take the form of an exponential rise.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Three-dimensional phase field sintering simulations accounting for the rigid-body motion of individual grains

Sintering is a widely used powder processing technique in industrial applications. During sintering, atoms migrate to decrease the energy of the system via two main mechanisms: coarsening and densification, both of which lead to significant morphological variation of the sintered microstructure. When simulating sintering dynamics, the phase-field method has been broadly utilized because of its convenience in tracking morphology evolution. When a large number of grains is involved, it is common to use the same order parameter to describe multiple grains that are not in direct contact with one another (in order to reduce the computational memory demands). However, with this treatment it is difficult to handle the rigid-body motion of individual grains during densification. In this work, an implementation scheme is introduced to overcome the challenge of calculating individual particle motion based on existing equations. It uses a grouping algorithm and sets a cutoff radius on each grain for calculating the particle velocity during densification. This method allows for the incorporation of the densification mechanism, which has been commonly ignored in previous work, into phase-field sintering models in three-dimensional simulations with a large number of particles/grains. Moreover, through combination with the smoothed boundary method, material properties of sintered microstructures, such as the effective diffusivity and Young’s modulus, can be calculated during the sintering processes.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Friction consolidation of gas-atomized Fe−Si powders for soft magnetic applications

Soft magnetic materials are often limited in scalability due to conventional processes that do not retain beneficial microstructures, and their associated physical properties, during densification. In this work, friction consolidation (FC) has been studied to fabricate Fe−Si soft magnetic materials from gas-atomized powder precursors. Fe−Si powder is consolidated using variable pressure and tool rotation speed in an effort to evaluate this unique densification approach for potential improvements in magnetic properties. FC, due to the high shear deformation involved, is shown to result in uniform gradual grain structure refinement across the consolidated workpiece from the center nearest the tool to the edge. Magnetic properties along different orientations indicate little, if any, textural orientation in the refined grain structure. The effect of annealing on the magnetic properties is evaluated and shown to decrease coercivity. FC processing was able to retain the magnetization of the original gas-atomized powders but further process optimization is needed to reach the optimal coercivity for the soft magnetic materials applications. - Highlights: •Friction stir processing was utilized to consolidate Fe−Si soft magnetic powders. •The resultant microstructure and magnetic properties were correlated to the processing conditions. •Friction consolidation refined the grain size of the materials by ~ 40%. •Annealing successfully reduced the coercivity induced by the stress during processing. •The results shine light on the possible scaling up of nanostructured materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Pressure-Driven Changes in the Electronic Bonding Environment of GeO 2 Glass above Megabar Pressures

Noncrystalline oxides under pressure undergo gradual structural modifications, highlighted by the formation of a dense noncrystalline network topology. The nature of the densified networks and their electronic structures at high pressures may account for the mechanical hardening and the anomalous changes in electromagnetic properties. Despite its importance, direct probing of the electronic structures in amorphous oxides under compression above the Mbar pressure (>100 GPa) is currently lacking. Here, we report the observation of pressure-driven changes in electronic configurations and their delocalization around oxygen in glasses using inelastic X-ray scattering spectroscopy (IXS). In particular, the first O K-edge IXS spectra for compressed GeO 2 glass up to 148 GPa, the highest pressure ever reached in an experimental study of GeO 2 glass, reveal that the glass densification results from a progressive increase of oxygen proximity. While the triply coordinated oxygen [3] O is dominant below ~50 GPa, the IXS spectra resolve multiple edge features that are unique to topologically disordered [4] O upon densification above 55 GPa. Topological compaction in GeO 2 glass above 100 GPa results in pronounced electronic delocalization, revealing the contribution from Ge d-orbitals to oxide densification. Strong correlations between the glass density and the electronic configurations beyond the Mbar conditions highlight the electronic origins of densification of heavy-metal-bearing oxide glasses. Furthermore, current experimental breakthroughs shed light on the direct probing of the electronic density of states in high-Z oxides above 1 Mbar, offering prospects for studies on the pressure-driven changes in magnetism, superconductivity, and electronic transport properties in heavy-metal-bearing oxides under compression.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Revealing spatially heterogeneous relaxation in a model nanocomposite

The detailed nature of spatially heterogeneous dynamics of glycerol-silica nanocomposites is unraveled by combining dielectric spectroscopy with atomistic simulation and statistical mechanical theory. Analysis of the spatial mobility gradient shows no “glassy” layer, but the α-relaxation time near the nanoparticle grows with cooling faster than the α-relaxation time in the bulk and is ∼20 times longer at low temperatures. The interfacial layer thickness increases from ∼1.8 nm at higher temperatures to ∼3.5 nm upon cooling to near bulk T{sub g}. A real space microscopic description of the mobility gradient is constructed by synergistically combining high temperature atomistic simulation with theory. Our analysis suggests that the interfacial slowing down arises mainly due to an increase of the local cage scale barrier for activated hopping induced by enhanced packing and densification near the nanoparticle surface. The theory is employed to predict how local surface densification can be manipulated to control layer dynamics and shear rigidity over a wide temperature range.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Practicality of magnetic compression for plasma density control

Here, plasma densification through magnetic compression has been suggested for time-resolved control of the wave properties in plasma-based accelerators [P. F. Schmit and N. J. Fisch, Phys. Rev. Lett. 109, 255003 (2012)]. Using particle in cell simulations with real mass ratio, the practicality of large magnetic compression on timescales shorter than the ion gyro-period is investigated. For compression times shorter than the transit time of a compressional Alfven wave across the plasma slab, results show the formation of two counter-propagating shock waves, leading to a highly non-uniform plasma density profile. Furthermore, the plasma slab displays large hydromagnetic like oscillations after the driving field has reached steady state. Peak compression is obtained when the two shocks collide in the mid-plane. At this instant, very large plasma heating is observed, and the plasmaβ is estimated to be about 1. Although these results point out a densification mechanism quite different and more complex than initially envisioned, these features still might be advantageous in particle accelerators.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Amorphous boron oxide at megabar pressures via inelastic X-ray scattering

Structural transition in amorphous oxides, including glasses, under extreme compression above megabar pressures (>1 million atmospheric pressure, 100 GPa) results in unique densification paths that differ from those in crystals. Experimentally verifying the atomistic origins of such densifications beyond 100 GPa remains unknown. Progress in inelastic X-ray scattering (IXS) provided insights into the pressure-induced bonding changes in oxide glasses; however, IXS has a signal intensity several orders of magnitude smaller than that of elastic X-rays, posing challenges for probing glass structures above 100 GPa near the Earth’s core–mantle boundary. Here, we report megabar IXS spectra for prototypical B 2 O 3 glasses at high pressure up to ∼120 GPa, where it is found that only four-coordinated boron ( [4] B) is prevalent. The reduction in the [4] B–O length up to 120 GPa is minor, indicating the extended stability of sp 3 -bonded [4] B. In contrast, a substantial decrease in the average O–O distance upon compression is revealed, suggesting that the densification in B 2 O 3 glasses is primarily due to O–O distance reduction without the formation of [5] B. Together with earlier results with other archetypal oxide glasses, such as SiO 2 and GeO 2 , the current results confirm that the transition pressure of the formation of highly coordinated framework cations systematically increases with the decreasing atomic radius of the cations. These observations highlight a new opportunity to study the structure of oxide glass above megabar pressures, yielding the atomistic origins of densification in melts at the Earth’s core–mantle boundary.

58 GEOSCIENCES↗
DOE OSTI2018

Energy efficient spark plasma sintering: Breaking the threshold of large dimension tooling energy consumption

An energy efficient spark plasma sintering method enabling the densification of large size samples assisted by very low electric current levels is developed. In this method, the electric current is concentrated in the graphite foils around the sample. High-energy dissipation is then achieved in this area enabling the heating and full densification of large (alumina) parts (Ø 40 mm) at relatively low currents (800 A). The electrothermal mechanical simulation reveals that the electric current needed to heat the large samples is 70% lower in the energy efficient configuration compared to the traditional configuration. The presence of thermal and densification gradients is also revealed for the larger size samples. Potential solutions for this problem are discussed. The experiments confirm the possibility of full densification (96%-99%) of large alumina samples. This approach allows using small (and low cost) SPS devices (generally limited to 10-15 mm samples) for large-size samples (40-50 mm). Finally, the developed technique enables also an optimized energy consumption by large-scale SPS systems.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Development of Bulk Nanocrystalline Tungsten Alloys for Fusion Reactor Structures

This project developed a technology for manufacturing bulk ultrafine tungsten materials that are at or near full density for fusion reactor structural applications, aiming to improve ductility and toughness of tungsten before and after irradiation. The project involved the development of fabrication processes for making bulk ultrafine grained W, the development of new alloys of ultrafine grained W and evaluations of properties of these specific materials. The goal of this fabrication process is to produce fully dense bulk W with ultrafine grain sizes, with uniform distributions of grain size and additives. To date there is no known process that could be used to make ultrafine grained tungsten in a fully dense state and in a cost-acceptable fashion. The specific technology described in this proposal for making ultrafine grained tungsten involves a suite of nano-particle processing and sintering techniques. The program also developed new alloys of ultrafine grained W, e.g. W-(Ta,V,Ti)-TiC alloys to improve ductility and toughness before and after irradiation. By completing this project, we achieved the following objectives: • Demonstrated experimentally the feasibility of producing bulk ultrafine grained tungsten alloys (at or near 100% dense, <1000 nm grain size) using the proposed process • Demonstrated the proposed ultrafine grained W alloys, namely, W-(Ta, V, Ti)-TiC, can indeed be made using the proposed process • Demonstrated that the properties of nano tungsten alloys meet the requirements for fusion reactor applications. The overall goal was to harness the potential of ultrafine grained W produced using the proposed processes as the core structural materials for future fusion reactors. The project was very successful overall, meeting all milestones and surpassing project goals in terms of process development and material’s blistering resistance properties. A novel process similar to the conventional press-and-sinter powder metallurgy method was developed for producing ultrafine grain tungsten from nanosize tungsten powders. Grain growth was significantly controlled during sintering by certain alloy compositions, particularly Ti, and most compositions sintered to maximum densification. To optimize this process, the effect of processing parameters on the densification and grain growth of nano-W powders was investigated. Near-fully densified tungsten was obtained at sintering temperatures between 1100 and 1300 °C, and both Ar and H2 sintering atmospheres were investigated. The Ar sintering atmosphere was determined to more favorably promote densification and minimize grain growth. The nanosized tungsten powder compacts were subjected to reduction in H2 as a part of the sintering cycle. The reduction temperature was found to have significant effects on the sintering of nano-W powder, primarily as a result of grain coarsening, which was seen at temperatures as low as 700 °C. In an effort to inhibit grain growth, the effect of Ti-based additives on the densification and grain growth of nano-W powders was investigated in this project. The addition of 1 wt.% Ti into tungsten led to more than a 63% decrease in average grain size of sintered samples at comparable density levels. Compared to conventional high temperature sintering, a lower temperature sintering cycle for a longer hold time resulted in both near-full density and fine grain size. The roles of the Ti additives include not only the inhibition of grain growth, but also the potential absorption of oxygen from W particles. The project has resulted in the publication; thus far, of six peer reviewed journal articles and seven conference presentations, as well as a master’s thesis. Two additional journal articles are currently in preparation. Presentations and articles were a particular focus of the second half of the project, once significant experimentation had been performed and analyzed. As part of our efforts to disseminate information of our results, the W research teams with Prof. Fang had a strong presence at multiple international conferences during 2015 and 2016. Several research groups in the US are now performing experiments using the ultrafine grained W materials.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Ultrafast Reactive Laser Sintering of Highly Conductive Garnet-Type LLZTO Solid Electrolytes

Rapid and scalable fabrication of garnet-type solid electrolytes remains a major challenge for the practical deployment of lithium metal batteries. Here, we report reactive laser sintering (RLS) as an ultrafast and potentially scalable strategy for fabricating garnet-type Li 6.4 La 3 Zr 1.4 Ta 0.6 O 12 (LLZTO) solid electrolytes. RLS of LLZTO enables simultaneous reaction and densification, achieving ∼95% relative density while minimizing lithium loss and suppressing secondary phase formation. Compared to conventional furnace sintering, RLS promotes enhanced grain growth and improved densification, leading to improved ionic conductivity (0.36 ± 0.08 mS cm −1 ) while maintaining comparable activation energies for Li + transport. Structural characterization by X-ray diffraction (XRD), Raman spectroscopy, and solid-state 6 Li/ 7 Li NMR confirms the formation of cubic garnet LLZTO with homogeneous microscale elemental distribution. In addition, nanoindentation measurements demonstrate that RLS preserves the mechanical properties of the garnet framework despite ultrafast localized thermal processing. By integrating simultaneous reaction and densification with tunable microstructural control, reactive laser sintering provides a promising manufacturing pathway for high-performance garnet solid electrolytes toward next-generation solid-state batteries.

CO2 laser↗
DOE OSTI2011

Effect of process variables on the quality attributes of briquettes from wheat, oat, canola and barley

Effect of process variables on the quality attributes of briquettes from wheat, oat, canola and barley straw Jaya Shankar Tumuluru*, L. G. Tabil, Y. Song, K. L. Iroba and V. Meda Biomass is a renewable energy source and environmentally friendly substitute for fossil fuels such as coal and petroleum products. Major limitation of biomass for successful energy application is its low bulk density, which makes it very difficult and costly to transport and handle. To overcome this limitation, biomass has to be densified. The commonly used technologies for densification of biomass are pelletization and briquetting. Briquetting offers many advantages at it can densify larger particles sizes of biomass at higher moisture contents. Briquetting is influenced by a number of feedstock and process variables such as moisture content, particle size distribution, and some operating variables such as temperature and densification pressure. In the present study, experiments were designed and conducted based on Box-Behnken design to produce briquettes using barley, wheat, canola and barley straws. A laboratory scale hydraulic briquette press was used for the present study. The experimental process variables and their levels used in the present study were pressure levels (7.5, 10, 12.5 MPa), three levels of temperature (90, 110, 130 C), at three moisture content levels (9, 12, 15% w.b.), and three levels of particle size (19.1, 25.04, 31.75 mm). The quality variables studied includes moisture content, initial density and final briquette density after two weeks of storage, size distribution index and durability. The raw biomass was initially chopped and size reduced using a hammer mill. The ground biomass was conditioned at different moisture contents and was further densified using laboratory hydraulic press. For each treatment combination, ten briquettes were manufactured at a residence time of about 30 s after compression pressure setpoint was achieved. After compression, the initial dimensions and the final dimensions after 2 weeks of storage in controlled environment of all the samples were measured. Durability, dimensional stability, and moisture content tests were conducted after two weeks of storage of the briquettes produced. Initial results indicated that moisture content played a significant role on briquettes durability, stability, and density. Low moisture content of the straws (7-12%) gave more durable briquettes. Briquette density increased with increasing pressure depending on the moisture content value. The axial expansion was more significant than the lateral expansion, which in some cases tended to be nil depending on the material and operating variables. Further data analysis is in progress in order to understand the significance of the process variables based on ANOVA. Regression models were developed to predict the changes in quality of briquettes with respect of the process variables under study. Keywords: Herbaceous biomass, densification, briquettes, density, durability, dimensional stability, ANOVA and regression equations

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2016

Effect of carbon impurity during the sintering of MOX fuels

UO{sub 2} and PuO{sub 2} powders are currently used as raw materials for the industrial fabrication of mixed uranium plutonium oxide (MOX) for light-water reactors. The mixture is pelletized before being sintered at 1700 Celsius degrees under a reducing atmosphere of Ar/4%H{sub 2} with 1200 vpm H{sub 2}O. At the end of the oxide ceramic sintering process, a swelling phenomenon sometimes occurs and could be responsible for the fuel non-compliance with safety specifications. This phenomenon is often caused by the presence of carbon impurities in the raw materials. In this paper, it will be shown how carbon impurities (naturally present or deliberately introduced) in the raw materials affect MOX fuel densification by sintering. For that purpose, MOX densification has been monitored by dilatometric measurements and the gases released during sintering have been continuously qualitatively and quantitatively analyzed. Gases released or trapped in the fuel during densification have been studied, as well as the sintered fuel characteristics (density, microstructure, U/Pu distribution). Results confirm that carbon impurities can play a major role in the fuel swelling: the oxides react with carbon and form gaseous CO molecules that could be trapped in the closed pores during sintering. This leads to a pressure increase within pores responsible for an irreversible swelling by creep deformation. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

In situ probing of interfacial roughness and transient phases during ceramic cold sintering process

The ceramic cold sintering process (CSP) offers an eco-friendly approach to producing fully dense ceramics at low temperatures. However, an incomplete mechanistic understanding hinders its optimization and widespread adoption. In this study, we analyze the microstructural and structural changes in ZnO, a model CSP system, using in situ synchrotron-based high-energy small-angle X-ray scattering and X-ray diffraction techniques. Our results reveal the time evolution of ZnO particles' surface area and roughness, reflecting the dissolution and re precipitation processes that enable densification. The in situ measurements supply valuable kinetic data for these stages of CSP. Alongside microstructural changes and densification, we observed the evolution of secondary phases representing reaction products between ZnO and acetic acid, the solvent used. The initial ZnO/solvent mixture's dominant secondary phase is attributed to zinc acetate, which is gradually replaced by a zinc soap-type structure during CSP. This structure has a large (≈ 21 Å) lattice parameter and is assumed to have a layered nature. The formation of this soap phase, which is retained in the sintered product as an intergranular component, appears to be a signature of successful cold sintering as it facilitates mass transport, leading to densification. Here, our study underscores the potential of in situ synchrotron characterization for revealing microstructural and phase-evolution details during CSP. These findings, which would be challenging to obtain through ex situ measurements, provide crucial data to guide and validate theoretical models, ultimately enhancing CSP's effectiveness and adoption.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Comprehensive characterization of the irradiation effects of glassy carbon

Carbon materials have become increasingly diverse, finding applications in high-temperature and high-radiation environments. Glassy carbon, an allotrope known for its exceptional chemical inertness and desirable mechanical properties. However, understanding neutron irradiation effects in glassy carbon has proven challenging, primarily because of its unique nanopore structure. Here, this study presents a highly detailed microstructural characterization investigation of neutron-induced changes in glassy carbon, revealing how changes in nanopore structure and crystallinity impact the irradiation-induced shrinkage. Aberration-corrected scanning transmission electron microscopy (STEM) reveals pore closure that leads to material densification in the irradiated samples. Dimensional analysis combined with comparison to historical data suggest significant length shrinkage to occur. Neutron and in situ electron irradiation experiments suggest that glassy carbon transforms into so-called carbon onions, supporting the concept of shrinkage saturation. Investigating irradiation temperature effects using STEM, electron energy loss spectroscopy, x-ray diffraction, and Raman spectroscopy revealed partial amorphization at 210 °C–230 °C and preserved order in glassy carbon at 860 °C, coinciding with pore closure. Thermal property measurements were also conducted to assess the effects of densification and other changes in the atomic structure of glassy carbon. The results of this study have broad implications in the deployment of glassy carbon to nuclear environments, based around the observed changes in the thermal properties, and demonstrates the operational window for the onset of densification.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Microstructure evolution during binder jet additive manufacturing of H13 tool steel

H13 is one of the most used tool steels for both hot and cold work tooling applications. Binder jet additive manufacturing offers the potential to deposit complex tools at scale due to larger powder bed sizes and faster deposition rates. However, to date there is no published literature on the sintering of H13 to full densification. Here, we discuss the pressureless sintering of binder jet AM H13 steel to full densification via supersolidus liquid phase sintering (SLPS) while presenting appropriate process windows (1360 °C – 1380 °C) for densification without distortion. The process windows have been rationalized based on thermodynamic calculations of liquid volume fractions with temperature. We show that higher binder saturation results in higher carbon retention and subsequently early liquid formation that can initiate the sintering process at lower temperatures. We report abnormal grain growth during sintering and found that the solidification phase transformations play a critical role on microstructural evolution and must be considered to accurately model the kinetics of SLPS.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Grand potential sintering simulations of doped UO 2 accident-tolerant fuel concepts

Chromium-doped UO is a widely-studied near-term deployable accident-tolerant fuel concept because it results in a dense, large-grain structure that increases the fuel resistance to densification, swelling, and fission gas release. A new charged-interstitial mechanism was recently proposed to describe the behavior of dopants like chromium in sintered UO 2 . Based on that mechanism, manganese was suggested as an even stronger dopant than chromium. In the current work we use mesoscale sintering simulations in an effort to validate the new mechanism. We compare the relative behavior of Cr-doped and undoped UO 2 against experimental data in the literature. We also make predictions of the relative behavior of Mn-doped UO 2 . Simulations are done using the phase field-based grand potential sintering model. Dopants have two effects on sintered UO 2 . They marginally increase the densification rate and greatly increase the average grain size. Both of these effects are individually tested in small-scale simulations. Then large 3D sintering simulations are used to test the combined behavior of both effects. The results for the densification rate simulations are consistent with experiments for Cr-doped fuels. However, we note the grain growth rates are lower than what is found in the literature for Cr-doped fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗