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At least 1,045 records · Page 58

Kinetic equilibrium reconstruction and the impact on stability analysis of KSTAR plasmas

High fidelity kinetic plasma equilibrium reconstructions are an essential requirement for accurate stability and disruption prediction analyses to support continuous operation of high beta tokamak plasmas. The present kinetic equilibrium reconstructions of plasmas in the KSTAR device include plasma density and temperature profiles from Thomson scattering and ion temperature from charge exchange spectroscopy diagnostics, and allowance for fast particle pressure. In addition, up to 25 channels of motional Stark effect diagnostic data are used to constrain the magnetic field pitch angle profile in the plasma to produce a reliable computation of the safety factor, q, profile. In this work, H-mode plasmas exhibit clear pedestal characteristics in the reconstructed pressure profile compared to internal transport barrier or L-mode plasmas. The plasma configuration and vertical position of inner strike points are validated by CCD and infrared camera images. Ideal and resistive magnetohydrodynamic (MHD) stability analyses using the DCON and resistive DCON codes utilize these kinetic equilibrium reconstructions to compare to experimental plasma stability. Equilibria with sufficiently low convergence error can provide reliable computation of ideal and resistive MHD stability analysis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Experimental Characterization of Hydrogen Diffusion in Shale Rocks for Geologic Storage Applications

As global energy systems undergo a transition to cleaner alternatives, geologic hydrogen storage has emerged as a promising solution for large-scale energy storage. A critical factor in determining the feasibility of this approach is the effectiveness of caprock formations, such as shale, in preventing hydrogen migration. This study investigates the diffusion behavior of hydrogen through shale to assess its suitability as a caprock for geologic hydrogen storage. Using a novel double-seal core holder design and a through-diffusion apparatus, hydrogen diffusion was measured through shale rock from the Eagle Ford and Wolfcamp Formations under dry conditions. These measurements were complemented by microstructural and mineralogical analyses using low-pressure nitrogen adsorption and X-ray diffraction. The effective diffusion coefficient of hydrogen in these shale caprocks ranged from 2.51 × 10 –8 to 9.85 × 10 –8 m 2 /s. Notably, we observed that the diffusion behavior was more related to the pore network structure and could not be attributed to differences in the total pore volume between shale types alone. Here, to further understand the role of pore network complexity, a fractal pore model was developed to correlate tortuosity with the fractal dimension of the pore structure (a measure of pore network complexity). The proposed model closely matched tortuosity values obtained from diffusion experiments, outperforming existing theoretical tortuosity–porosity correlations. These findings provide key quantitative parameters needed to assess the feasibility of geologic hydrogen storage as well as insights that can be applied to hydrogen storage in a range of geologic formations.

08 HYDROGEN↗

Structure and Behavior of the Ni End-Member Schreibersite Ni 3 P under Compression to 50 GPa

To better understand the potential presence of light element alloys of Fe and Ni in the Earth’s interior, the crystal structure and compressional behavior of the Ni-P binary compound, schreibersite (Ni 3 P), have been investigated using synchrotron X-ray diffraction experiments. Both powder and two single-crystal samples of synthetic Ni 3 P (in different orientations with respect to the loading axis of the diamond anvil cell) were compressed up to approximately 50 GPa at ambient temperature. The compressional data obtained for Ni3P were fitted with a 3rd order Birch–Murnaghan equation of state. All data indicated that the c/a ratio of unit cell parameters remained approximately constant up to about 30 GPa but then increased progressively with pressure, exhibiting a second slight discontinuity at approximately 40 GPa. The changes in unit cell parameters at ~30 GPa and ~40 GPa suggested discontinuous changes in magnetic ordering. Moreover, the threshold of these subtle discontinuities is sensitive to the stress state and orientation of the crystal in the diamond anvil cell. This study is the first report on the compressional behavior of both powder and single-crystal schreibersite at high-pressure (up to 50 GPa). It offers insights into the effects of Ni 3 P components on the compressional behavior of the Earth’s core.

36 MATERIALS SCIENCE↗

Durable Low-Cost Pressure Vessels for Bulk Hydrogen Storage

Long-duration energy storage (LDES) in the form of gaseous hydrogen is vital for fossil fuel power plants to reduce frequent shutdowns and rapid start-ups. It's also crucial in renewable energy power plants for grid stabilization. WireTough Cylinders (WTC) has developed a Type II-S pressure vessel that uses steel liners that are hoop-wrapped with multiple layers of high-strength, cost-effective, and readily available steel wires. This design enables the vessel to withstand significantly higher pressures. It addresses hydrogen embrittlement issues and cyclic loading from repeated pressurization and depressurization during service. The WireTough design is cost-efficient, robust, and fatigue-resistant (with a 30-year design life) and is ASME certified for ground storage of hydrogen at a maximum operating pressure (MOP) of 350 bar and a design pressure of 500 bar. The cylinder has a 645 mm outside diameter and a water capacity of 1,715 liters, capable of storing 40.7 KG of hydrogen at MOP. Two prototypes were successfully produced to showcase the manufacturing technologies, with one being certified under ASME Section VIII Division 3 rules. Preliminary design work for a similar Type II-S vessel with a 500 bar MOP was also completed. The 350 bar and 500 bar Type II-S vessels were shown respectively to be 47.5% to 60% more cost-effective and 55% and 62.5% lighter based on per KG of hydrogen stored, when compared with their Type 1 counterparts.

08 HYDROGEN↗

Single-Particle Studies Reveal a Nanoscale Mechanism for Elastic, Bright, and Repeatable ZnS:Mn Mechanoluminescence in a Low-Pressure Regime

Mechanoluminescent materials, which emit light in response to elastic deformation, are demanded for use as in situ stress sensors. ZnS doped with Mn is known to exhibit one of the lowest reported thresholds for appearance of mechanoluminescence, with repeatable light emission under contact pressure <10 MPa. Here, the physical basis for such behavior remains as yet unclear. Here, reliable microscopic detection of mechanoluminescence of single ZnS:Mn microparticles, in combination with nanoscale structural characterization, provides evidence that the mechanoluminescent properties of these particles result from interplay between a non-centrosymmetric crystal lattice and its defects, viz., dislocations and stacking faults. Statistical analysis of the distributions of mechanoluminescence energy release trajectories reveals two distinct mechanisms of excitation: one attributable to a piezo-phototronic effect and the other due to dislocation motion. At pressures below 8.1 MPa, both mechanisms contribute to mechanoluminescent output, with a dominant contribution from the piezo-phototronic mechanism. In contrast, above 8.1 MPa, dislocation motion is the primary excitation source. For the piezo-phototronic mechanism, we propose a specific model that accounts for elastic ZnS:Mn mechanoluminescence under very low pressure. The charged interfaces in stacking faults lead to the presence of filled traps, which otherwise would be empty in the absence of the built-in electric field. Upon application of external stress, local enhancement of the piezoelectric field at the stacking faults’ interfaces facilitates release of the trapped carriers and subsequent luminescence. This field enhancement explains how <10 MPa pressure produces thousands of photons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Behavior of Tidally Triggered Earthquakes Depends on Fluid Conditions

Seismicity at The Geysers geothermal field and in Oklahoma is heavily influenced by industrial activities related to energy production, though the mechanism in which earthquakes are induced or triggered is different. At The Geysers, much of the seismicity is linked to thermoelastic stresses caused by injecting cold water into hot rocks, whereas in Oklahoma, the seismicity is linked to a reduction of confining stress on faults due to increasing pore pressure resulting from wastewater injections. Here, in this study, we show that these contrasting conditions are also evident in tidally triggered earthquakes. At The Geysers, earthquakes preferentially occur during maximum extensional stress, which does not occur at the same time as maximum shear stress on optimally oriented faults in the regional stress field. In Oklahoma, earthquakes preferentially occur during maximum shear stress on optimally oriented faults rather than maximum extensional stress. The magnitude of tidal extensional stress is naturally much greater than tidal shear stress. However, in a fluid-saturated environment, pore pressure responds to changes in volume, which can counteract or reduce the effect of the applied stress. The difference in behavior at these two sites is indicative of the level of coupling between applied stress and pore pressure, corresponding to unsaturated conditions at The Geysers and high pore pressure in Oklahoma.

58 GEOSCIENCES↗

A Design Method for Low-Pressure Venturi Nozzles

The purpose of this work is to provide empirical design models for low-pressure, subsonic Venturi nozzles. Experimentally validated simulations were used to determine the effect of nozzle geometry and operating conditions on the suction ratio (ratio of suction mass flow rate to motive mass flow rate) of low-pressure, subsonic Venturi nozzles, over a wide range of geometries and operating conditions, through a parametric study. The results of the parametric study were used to develop seven empirical models, each with a different range of applicability or calculating a different indicator of nozzle performance (i.e., suction ratio, momentum ratio, or dynamic pressure ratio), of the Venturi nozzles using a constrained multi-variable global optimization method. Of the seven empirical models, the best models were found to be those for low- (less than one) and high-suction ratios (greater than one), with mean absolute percentage errors of 5% and 18%, respectively. These empirical models provide a design tool for subsonic, low-pressure Venturi nozzles that is more than an order of magnitude more accurate than a governing equation approach or conventional flow head calculations. These newly-developed empirical models can be applied for initial nozzle design when precise suction ratios are required.

O’Hern, Hannah↗

Impact of particle size and particle-flow-wall coupling on pressurized oxy-combustion in the down-fired burner

Concerns over climate change have led to numerous efforts in developing low-carbon energy technologies. Pressurized oxy-combustion (POC) is a promising candidate to reduce carbon emissions in power generation. Designing an effective burner plays a vital role in developing new coal combustion technologies. Because of the high pressure, the volume fraction of coal particles at the fuel inlet of the burner of a pressurized oxy-combustor is close or even higher than the maximum limit that commercial CFD codes (e.g., ANSYS FLUENT) can handle. At this high particle volume fraction, the interactions among particles, fluid flow, and wall need to be re-evaluated. The present computational work is the first step of a systematic analysis of the particle influence, like releasing method, releasing locating, and particle size, in a pilot-scale POC combustor, developed at Washington University in St. Louis (WUSTL). In a POC process, pulverized coal is burned under elevated pressure and O2-CO2 environment. Specifically, a 15-bar, 100 kWth, POC combustor is modeled employing ANSYS FLUENT, using Reynolds-averaged Navier-Stokes (RANS) modeling. It is revealed that for this pilot-scale, pressurized burner, velocity profiles of the near-wall region in this POC facility exhibit some discrepancy against the near-wall turbulent flow velocity profile. In order to investigate the particle influence in the near-wall region, particle releasing location will be investigated. Numerical simulation results exhibit the coupling effect of turbulence flow and particles in this case. The particle size also demonstrates a great effect on particle trajectory, then further has an impact on flame stability and temperature.

Li, Lei↗

High pressure Raman spectroscopy of boron-rich boron carbides up to 50 GPa

We investigated the effects of increased boron content on the resistance to non-hydrostatic stress-induced (NHSI) local amorphous zones in boron-rich boron carbide (BxC) compounds. Using high-pressure Raman spectroscopy, we subjected B 4.3 C, B 6.4 C, and B 10.4 C to pressures up to 50 GPa and monitored their responses. Our results show that higher boron content delays the onset of NHSI local amorphous zone formation, shifting it from 35 GPa in B 4.3 C to approximately 50 GPa in B 10.4 C. This enhanced resistance is attributed to a reduction in the formation of the B 12 (CCC) polytype, which is susceptible to amorphization, and the greater flexibility of B–B–B chains. Furthermore, alternative mechanisms, such as boron vacancy-driven C–C bond formation, provide additional insights into defect-mediated structural changes that may influence the amorphization process. In conclusion, these findings highlight the dual role of boron content and defect mechanisms in improving the structural stability of B x C materials under extreme environments.

36 MATERIALS SCIENCE↗

Large eddy simulation of a pressurized reactive fluid–particle system: single-particle dynamics analysis

Pressurized oxy-combustion (POC) is a promising candidate to reduce carbon emissions in power generation. Designing an effective burner plays a vital role in developing new combustion technologies. Because of the high pressure, the volume fraction of particles in a pressurized oxy-combustor could be higher than that in the conventional combustor, therefore, the particle dynamics in the pressurized vessel need to be evaluated accordingly. The present computational work is to predict the influence of the particle size and particle injection location on the particle trajectory. The Stokes number based on turbulence fluctuation, St, is adopted to evaluate the impact of the gas phase on the particulate phase. A large eddy simulation (LES) with the environment pressure of 15 bar and the thermal input of the fuel particle of 100 kWth has been performed by means of the commercial CFD package. It is shown that that in this pressurized environment St << 1 for the 25 µm particles, St ~ 1 for the 100 µm particles, while for the particles exceeding 200 µm St >> 1. The trajectories of the sampling particles from the LES results support this conclusion: the particles less than 100 µm tend to be uniformly distributed in the space while the particles exceeding 200 µm tend to concentrate in the combustor.

Li, Lei↗

Modeling-Based Design and Optimization of a Gradient Composite Transition Joint

An innovative additively manufactured gradient composite transition joint (AM-GCTJ) has been designed to join dissimilar metals, to address the pressing issue of premature failure observed in conventional dissimilar metal welds (DMWs) when subjected to increased cyclic operating conditions of fossil fuel power plants. The transition design, guided by computational modeling, developed a gradient composite material distribution, facilitating a smooth transition in material volume fraction and physical properties between different alloys. This innovative design seeks to alleviate structural challenges arising from distinct material properties, including high thermal stress and potential cracking issues resulting from the thermal expansion mismatch typically observed in conventional DMWs. In this study, we investigated the creep properties of transition joints comprising Grade 91 steel and 304 stainless steel through a combination of simulations and creep testing experiments. The implementation of a gradient composite design in the plate transition joint resulted in a significant enhancement of creep resistance when compared to the baseline conventional DMW. For instance, the creep rupture life of the transition joint was improved by > 400% in a wide range of temperature and stress testing conditions. Meanwhile, the failure location shifted to the base material of Grade 91 steel. Such enhancement can be primarily attributed to the strong mechanical constraint facilitated by the gradient composite design, which effectively reduced the stresses on the less creep-resistant alloy in the transition zone. Beyond examining plate joints, it is crucial to assess the deformation response of tubular transition joints under pressure loading and transient temperature conditions to substantiate and demonstrate the effectiveness of the design. The simulation results affirm that the tubular transition joint demonstrates superior resistance compared to its counterpart DMW when subjected to multiaxial stresses in tubular structures. In addition, optimization of the transition joint’s geometry dimensions has been conducted to diminish the accumulated deformation and enhance the service life. Lastly, the scalability and potential of the innovative transition joints for large-diameter pipe applications are addressed.

Zhang, Wei↗

Calculation of the Vertical Strata Load of Utility Tunnel Crossing Ground Fissure Zone

A ground fissure is a geological disaster in which the vertical dislocation of strata causes surface rupture. Ground fissures can cause extreme harm to the surface and underground buildings. Ground fissure activity can result in different settlement on the two sides of the strata, which will generate additional stress (pressure) that differs from the stress of the general stratum on underground structures across the ground fissure zone. It is essential to assess the effective stress of strata in the design of underground engineering structures across a ground fissure zone. The Xi’an ground fissure through a utility tunnel was focus of the research, and a physical model and data for oblique crossing of the 45° ground fissure were analyzed. A model of the utility tunnel structure was established, including the surrounding soil load as an active ground fissure environment. This model was used to calculate the vertical formation pressure of the overlying soil on the utility tunnel. A method to calculate the overlying load on the utility tunnel caused by ground fissure activity was proposed and compared with the calculation based on the A. Marston principle. The results showed that the ground fissure load calculation method based on the strata-holding effect can effectively calculate the earth pressure of the surrounding soil layer of the utility tunnel in the cross-ground fissure section. The results of this work provide guidance and reference value for the design of a utility tunnel in an area with the potential for a ground fissure.

Zhang, Dan↗

Nitrogen-doped char as a catalyst for wet oxidation of phenol-contaminated water

Catalytic wet oxidation (CWO) of aqueous effluents rich in organic compounds is a very promising technology for the treatment of liquid wastes from biomass conversion processes. CWO reactions occur through the formation of free radical species, produced in the presence of an oxidant, which act on organic contaminates in the effluent. Although the reaction is well known, there exists a lack of affordable catalysts to conduct this process at the lower temperatures and pressures in novel bioenergy processes. Here, this study assessed the catalytic effect of nitrogen-doped chars as such an option. Phenol in aqueous solution was used as a model waste effluent. Treatment was conducted at moderate temperatures (190 to 260 °C), oxygen partial pressure of 1 MPa, and reaction times of 15, 30, and 45 min in stainless steel and glass-lined tube reactors. High pressure liquid chromatography (HPLC) analyses of the products quantified phenol and by-product concentrations used in the calculation of reaction activation energy. The char catalyst was studied by X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), and scanning electron microscopy (SEM) in order to gain insight into its structure and surface composition. The results indicate that nitrogen-doped char catalysts accelerate the oxidation of phenol by decreasing its reaction activation energy from 82.2 kJ/mol (non-catalyzed) to 40.4 kJ/mol (catalyzed). An analysis from first principles using density functional theory (DFT) was conducted to ascertain which N functional group has the most significant impact on free radical formation in the presence of oxygen. Among all the N functional groups studied, the dipyridinic functional groups showed the most promising characteristics to facilitate the formation of hydroxyl free radicals.

Advanced Oxidation Processes for Organic Pollutant↗

Charpy Impact Characterization of Surveillance Specimens Harvested from Palisades High Fluence A-60 Capsule

Located on the shores of Lake Michigan, the Palisades Nuclear Generating Station (PNGS) was a nuclear power plant that operated in Covert Township, Michigan. The plant had a single pressurized water reactor that produced electricity for the region. The PNGS was shut down in 2022 after more than four decades of service. The PNGS included in its surveillance program a surveillance capsule, designated A-60, containing specimens of a weld metal with nickel content of about 1.36 wt% and copper content of about 0.25 wt%. The capsule was removed from its surveillance position in early 1995 and has been resident in the spent fuel pool since that time. This capsule was irradiated to a fluence of 1.96×10 20 n/cm 2 (E>1MeV) that is equivalent for more than 150 effective full power years (EFPYs) for the US reactor pressure vessel (RPV) fleet. The material is also of special interest because of its very high nickel content and potential for development of NiMnSi (nickel-manganese-silicon) precipitates. Combination of very high fluence and very high Ni and Cu content makes the material in this capsule of great interest as benchmark for currently developing embrittlement trend curves (ETC) aiming to predict embrittlement at high fluences. Multi-year efforts by the Light Water Reactor Sustainability (LWRS) Program personnel from the Materials Research Pathway (MRP) to harvest this capsule finally succeeded in 2023. As a result, the Westinghouse Electric Company (WEC) through contract with Oak Ridge National Laboratory (ORNL) came to PNGS site, retrieved the A-60 capsule, brought it to WEC Churchill hot cell facility, opened the capsule and sent all surveillance specimens in the capsule to ORNL for future characterization by July 2023. Total of 9 tensile and 48 Charpy specimens were inventoried in the ORNL hot cells. Testing plan has been developed based on available specimens. It includes hardness, tensile, Charpy impact, Mini-CT fracture toughness testing, in-situ thermal annealing, and microstructural characterization, including Atom Probe Tomography (APT). Charpy impact testing has been completed and results are presented in this report. Moreover, negotiations with Pressurized Water Reactors Owners Group (PWROG) and Westinghouse resulted in Westinghouse donating to ORNL a piece of archive weld and base metal such that unirradiated characterization of these materials can be performed as part of this project. Comparison of measured hardening and embrittlement has been performed and data are compared to available large database.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Report on Retrieval of the Reactor Pressure Vessel A-60 Surveillance Capsule from Palisades Nuclear Generating Station

Located on the shores of Lake Michigan, the Palisades Nuclear Generating Station (PNGS) was a nuclear power plant that operated in Covert Township, Michigan. The plant had a single pressurized water reactor that produced electricity for the region. The PNGS was shut down in 2022 after more than four decades of service. The PNGS included in its surveillance program a surveillance capsule, designated A-60, containing specimens of a weld metal with nickel content of about 1.36 wt% and copper content of about 0.20 wt%. The capsule was removed from its surveillance position in the early 1995 and has been resident in the spent fuel pool since that time. This capsule was irradiated to a fluence of 1.87×10 20 n/cm 2 (E> 1MeV) that is equivalent for more than 120 effective full power year (EFPY) for the US reactor pressure vessel (RPV) fleet. The material is also of special interest because of its very high nickel content and potential for development of NiMnSi (nickel-manganese-silicon) precipitates. Combination of very high fluence and very high Ni and Cu content makes the material in this capsule of the great interest as benchmark for currently developing embrittlement trend curves (ETC) aiming to predict embrittlement at high fluences. Thus, several years ago the Light Water Reactor Sustainability Program (LWRSP) initiated negotiations with Entergy to harvest this high fluence capsule since it did not present any regulatory interest for PNGS but could play a very important role for LWRSP efforts for developing ETC for very long-term operation. The negotiations resumed once PNGS ownership moved to the Holtec International in June 2022 which was very supportive to the LWRSP efforts to harvest the A-60 capsule from the spent fuel pool. As a result, the contract was placed with the Westinghouse Electric Company (WEC) to come to PNGS site, retrieve the A-60 capsule, bring it to WEC Churchill hot cell facility, open the capsule and send all surveillance specimens in the capsule to ORNL for future characterization. These specimens from the PNGS A-60 capsule have arrived to ORNL in July 2023 and this report summarizes activities to retrieve and deliver specimens to ORNL site for future evaluation.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Influence of Vane Trailing Edge Flow on the Formation of Cavity Cells and Rim Sealing

Abstract Hot gas ingestion into the turbine rim seal cavity is an important concern for engine designers. To prevent ingestion, rim seals use high-pressure purge flow; however, the penalty is that excessive use of the purge flow decreases engine thermal efficiency. In this paper, a one-stage turbine operating at engine-representative conditions was used to study the effect of steady and time-resolved under-platform cavity temperatures and pressures across a range of coolant flowrates in the presence of vane trailing edge (VTE) flow. This study correlates time-resolved pressure with time-resolved temperature to identify primary frequencies driving ingestion. At certain flowrates, the time-resolved pressures are out of phase with the temperatures, indicating ingestion. Measurements from high-frequency response pressure sensors in the rim seal and vane platform were also used to determine rotational speed and quantity of large-scale structures (cells). In a parallel effort, a computational model using Unsteady Reynolds-averaged Navier–Stokes (URANS) was applied to determine swirl ratio in the rim seal cavity and time-resolved rim sealing effectiveness. The experimental results confirm that at low purge flowrates, the VTE flow influences the unsteady flow field by decreasing pressure unsteadiness in the rim seal cavity. Results show an increase in purge flow increases the number of unsteady large-scale structures in the rim seal and decreases their rotational speed. However, VTE flow was shown to not significantly change the cell speed and count in the rim seal. Simulations point to the importance of the large-scale cell structures in influencing rim sealing unsteadiness, which is not captured in current rim sealing predictive models.

Engineering↗

Design of an Additively Manufactured Recuperator With 800 °C Inlet Temperature for sCO2 Power Cycle Application

Abstract Recuperators with design temperatures at and above 800 °C can further increase the thermal efficiency of supercritical CO2 power cycles by enabling higher turbine exhaust temperatures. Mar-M247 is a well-suited nickel-based superalloy for high temperature service due to its high creep strength that prevents excessive material thickness being required for pressure containment. Additive manufacturing using a high-speed laser-directed energy deposition (L-DED) process presents a promising solution, with build trials demonstrating the ability to produce nonconventional flow channels for enhanced heat transfer. A design process is presented that includes aerothermal and mechanical evaluation to maximize performance within the constraints of the manufacturing process. A 2-D heat transfer network and pressure drop code allows prediction of flow distribution and its effect on overall thermal performance. Established literature correlations, along with CFD simulation, inform the prediction of heat transfer coefficients and friction factors for the flowpaths and enhancement features in the heat exchanger core. Mechanical evaluation using finite element analysis (FEA) modeling with the intent of the ASME Boiler & Pressure Vessel Code (BPVC) Section VIII, Div. 2 assesses the operational safety of the design. The detailed design features annular finned passages that take advantage of helical flow paths to distribute the flow from separated headers to shared heat transfer surfaces. Performance predictions for the recuperator at a 50 kW scale provide insights into the feasibility of the additively manufactured (AM) process to produce recuperators on a commercial scale that extend existing operating envelopes.

Engineering↗

Charge influence on point defect interactions with xenon bubbles in uranium dioxide

The interaction of xenon (Xe) bubbles with small self-defects in uranium dioxide (UO2) has been studied using molecular statics simulations. The results show that the pressure and size of bubbles have a minimal impact on the heterogeneity of the interaction between a charge neutral Xe bubble and charged point defects, while the local charge distribution around the bubble overwhelmingly determines the interaction strength and critical interaction distance. The charge effect on the interactions between Xe bubbles and defects was further confirmed by assessing the point defect interaction energies with negatively or positively charged Xe bubbles. The Xe density, or pressure, has a much smaller effect on the interaction energy between charged bubbles and small defects at least for low and medium pressure bubbles. The interactions between charged Xe bubbles and point defects basically follow the Coulomb electrostatic interaction law, which is independent of the empirical potentials employed for the Xe–UO2 system in this work.

Yang, L. (ORCID:0000000322166071)↗